REMARK Name = BDB048403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 4 -0.242 -1.473 1.639 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 3 -2.174 -0.102 0.897 0.00 0.00 +0.234 C ATOM 3 N THR A 4 -1.213 -1.045 0.633 0.00 0.00 -0.300 N ATOM 4 H THR A 4 -1.016 -1.318 -0.326 0.00 0.00 +0.150 HD ATOM 5 O GLU A 3 -2.348 0.367 2.020 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 3 -2.989 0.352 -0.336 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C ALA A 2 -5.260 0.676 0.534 0.00 0.00 +0.234 C ATOM 8 N GLU A 3 -4.068 1.230 0.108 0.00 0.00 -0.302 N ATOM 9 H GLU A 3 -3.785 2.086 0.573 0.00 0.00 +0.150 HD ATOM 10 O ALA A 2 -5.530 -0.518 0.405 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA ALA A 2 -6.220 1.657 1.234 0.00 0.00 +0.156 C ATOM 12 CB ALA A 2 -5.746 1.931 2.653 0.00 0.00 +0.038 C BRANCH 11 14 ATOM 13 C ASP A 1 -8.429 1.269 0.215 0.00 0.00 +0.234 C ATOM 14 N ALA A 2 -7.544 1.038 1.250 0.00 0.00 -0.303 N ATOM 15 H ALA A 2 -7.571 0.119 1.677 0.00 0.00 +0.149 HD ATOM 16 O ASP A 1 -8.250 2.140 -0.635 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 CA ASP A 1 -9.668 0.349 0.213 0.00 0.00 +0.169 C BRANCH 17 20 ATOM 18 C UNK A 0 -12.911 1.257 -1.556 0.00 0.00 +0.109 C ATOM 19 C UNK A 0 -12.017 0.606 -0.537 0.00 0.00 +0.211 C ATOM 20 N ASP A 1 -10.694 0.938 -0.642 0.00 0.00 -0.304 N ATOM 21 H ASP A 1 -10.356 1.486 -1.427 0.00 0.00 +0.149 HD ATOM 22 O UNK A 0 -12.450 -0.155 0.324 0.00 0.00 -0.276 OA ENDBRANCH 17 20 BRANCH 17 23 ATOM 23 CB ASP A 1 -9.324 -1.090 -0.176 0.00 0.00 +0.152 C BRANCH 23 24 ATOM 24 CG ASP A 1 -8.531 -1.242 -1.445 0.00 0.00 +0.307 C ATOM 25 OD1 ASP A 1 -7.732 -2.138 -1.670 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 OD2 ASP A 1 -8.829 -0.355 -2.409 0.00 0.00 -0.481 OA ATOM 27 HD2 ASP A 1 -8.242 -0.611 -3.153 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 28 ATOM 28 CB GLU A 3 -2.112 1.026 -1.399 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 CG GLU A 3 -1.281 2.206 -0.889 0.00 0.00 +0.123 C BRANCH 29 30 ATOM 30 CD GLU A 3 -0.330 2.685 -1.954 0.00 0.00 +0.305 C ATOM 31 OE1 GLU A 3 -0.447 2.536 -3.158 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 OE2 GLU A 3 0.720 3.350 -1.435 0.00 0.00 -0.481 OA ATOM 33 HE2 GLU A 3 1.261 3.597 -2.216 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 6 28 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 34 ATOM 34 C THR A 4 1.087 -1.733 0.905 0.00 0.00 +0.236 C ATOM 35 N GLY A 5 2.132 -2.140 1.695 0.00 0.00 -0.305 N ATOM 36 H GLY A 5 1.896 -2.446 2.641 0.00 0.00 +0.149 HD ATOM 37 O THR A 4 1.231 -1.504 -0.298 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 CA GLY A 5 3.413 -2.558 1.143 0.00 0.00 +0.200 C BRANCH 38 39 ATOM 39 C GLY A 5 4.365 -1.405 0.789 0.00 0.00 +0.231 C ATOM 40 N GLU A 6 3.767 -0.278 0.276 0.00 0.00 -0.303 N ATOM 41 H GLU A 6 2.832 -0.431 -0.101 0.00 0.00 +0.149 HD ATOM 42 O GLY A 5 5.587 -1.536 0.835 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 CA GLU A 6 4.473 0.903 -0.227 0.00 0.00 +0.159 C BRANCH 43 44 ATOM 44 C GLU A 6 5.055 0.668 -1.638 0.00 0.00 +0.234 C ATOM 45 N PHE A 7 5.827 -0.455 -1.780 0.00 0.00 -0.301 N ATOM 46 H PHE A 7 6.051 -1.008 -0.948 0.00 0.00 +0.150 HD ATOM 47 O GLU A 6 4.900 1.486 -2.544 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA PHE A 7 6.489 -0.818 -3.031 0.00 0.00 +0.186 C BRANCH 48 49 ATOM 49 C PHE A 7 6.709 -2.330 -3.066 0.00 0.00 +0.326 C ATOM 50 O PHE A 7 6.342 -3.145 -2.232 0.00 0.00 -0.249 OA BRANCH 49 51 ATOM 51 OXT PHE A 7 7.319 -2.759 -4.192 0.00 0.00 -0.479 OA ATOM 52 HXT PHE A 7 7.338 -3.734 -4.085 0.00 0.00 +0.295 HD ENDBRANCH 49 51 ENDBRANCH 48 49 BRANCH 48 53 ATOM 53 CB PHE A 7 7.779 -0.020 -3.284 0.00 0.00 +0.069 C BRANCH 53 54 ATOM 54 CG PHE A 7 8.792 -0.070 -2.161 0.00 0.00 -0.045 A ATOM 55 CD2 PHE A 7 9.690 -1.139 -2.047 0.00 0.00 +0.004 A ATOM 56 CE2 PHE A 7 10.609 -1.182 -0.997 0.00 0.00 +0.000 A ATOM 57 CZ PHE A 7 10.642 -0.157 -0.054 0.00 0.00 +0.000 A ATOM 58 CE1 PHE A 7 9.757 0.914 -0.160 0.00 0.00 +0.000 A ATOM 59 CD1 PHE A 7 8.839 0.959 -1.210 0.00 0.00 +0.004 A ENDBRANCH 53 54 ENDBRANCH 48 53 ENDBRANCH 45 48 ENDBRANCH 43 44 BRANCH 43 60 ATOM 60 CB GLU A 6 5.541 1.469 0.716 0.00 0.00 +0.043 C BRANCH 60 61 ATOM 61 CG GLU A 6 4.967 1.876 2.070 0.00 0.00 +0.123 C BRANCH 61 62 ATOM 62 CD GLU A 6 6.050 2.331 3.005 0.00 0.00 +0.305 C ATOM 63 OE1 GLU A 6 6.364 1.804 4.058 0.00 0.00 -0.251 OA BRANCH 62 64 ATOM 64 OE2 GLU A 6 6.668 3.451 2.587 0.00 0.00 -0.481 OA ATOM 65 HE2 GLU A 6 7.327 3.630 3.291 0.00 0.00 +0.295 HD ENDBRANCH 62 64 ENDBRANCH 61 62 ENDBRANCH 60 61 ENDBRANCH 43 60 ENDBRANCH 40 43 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 1 34 BRANCH 1 66 ATOM 66 CB THR A 4 -0.737 -2.681 2.457 0.00 0.00 +0.141 C ATOM 67 CG2 THR A 4 -0.940 -3.943 1.626 0.00 0.00 +0.040 C BRANCH 66 68 ATOM 68 OG1 THR A 4 0.193 -2.972 3.512 0.00 0.00 -0.390 OA ATOM 69 HG1 THR A 4 -0.256 -3.595 4.114 0.00 0.00 +0.210 HD ENDBRANCH 66 68 ENDBRANCH 1 66 TORSDOF 30