REMARK Name = BDB059225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 4 1.106 1.324 -0.284 0.00 0.00 +0.187 C ENDROOT BRANCH 1 2 ATOM 2 C THR A 4 -0.178 0.917 -1.034 0.00 0.00 +0.236 C ATOM 3 N GLY A 5 -0.941 -0.116 -0.569 0.00 0.00 -0.305 N ATOM 4 H GLY A 5 -1.707 -0.345 -1.201 0.00 0.00 +0.149 HD ATOM 5 O THR A 4 -0.565 1.544 -2.024 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA GLY A 5 -0.502 -1.175 0.342 0.00 0.00 +0.200 C BRANCH 6 7 ATOM 7 C GLY A 5 -1.709 -1.840 1.002 0.00 0.00 +0.231 C ATOM 8 N GLU A 6 -2.727 -0.956 1.304 0.00 0.00 -0.303 N ATOM 9 H GLU A 6 -2.686 -0.092 0.768 0.00 0.00 +0.149 HD ATOM 10 O GLY A 5 -1.725 -3.021 1.333 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA GLU A 6 -4.075 -1.449 1.565 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 C GLU A 6 -4.836 -1.379 0.223 0.00 0.00 +0.234 C ATOM 13 N PHE A 7 -6.095 -1.935 0.247 0.00 0.00 -0.301 N ATOM 14 H PHE A 7 -6.271 -2.636 0.963 0.00 0.00 +0.150 HD ATOM 15 O GLU A 6 -4.361 -0.829 -0.771 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA PHE A 7 -6.893 -2.058 -0.975 0.00 0.00 +0.182 C BRANCH 16 17 ATOM 17 C PHE A 7 -6.766 -3.499 -1.468 0.00 0.00 +0.325 C ATOM 18 O PHE A 7 -6.497 -4.471 -0.779 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT PHE A 7 -7.035 -3.639 -2.781 0.00 0.00 -0.479 OA ATOM 20 HXT PHE A 7 -6.906 -4.594 -2.956 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 BRANCH 16 21 ATOM 21 CB PHE A 7 -8.369 -1.740 -0.703 0.00 0.00 +0.037 C BRANCH 21 22 ATOM 22 CG PHE A 7 -8.627 -0.328 -0.128 0.00 0.00 -0.009 C ATOM 23 CD2 PHE A 7 -10.131 -0.119 0.151 0.00 0.00 +0.003 C ATOM 24 CE2 PHE A 7 -10.825 0.645 -0.971 0.00 0.00 +0.000 C ATOM 25 CZ PHE A 7 -10.230 2.042 -1.147 0.00 0.00 +0.000 C ATOM 26 CE1 PHE A 7 -8.738 2.114 -0.816 0.00 0.00 +0.000 C ATOM 27 CD1 PHE A 7 -8.045 0.774 -1.034 0.00 0.00 +0.003 C ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 28 ATOM 28 CB GLU A 6 -4.774 -0.584 2.621 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 CG GLU A 6 -4.170 -0.739 4.018 0.00 0.00 +0.123 C BRANCH 29 30 ATOM 30 CD GLU A 6 -4.356 -2.094 4.651 0.00 0.00 +0.305 C ATOM 31 OE1 GLU A 6 -3.788 -2.484 5.658 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 OE2 GLU A 6 -5.270 -2.874 4.047 0.00 0.00 -0.481 OA ATOM 33 HE2 GLU A 6 -5.251 -3.696 4.585 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 11 28 ENDBRANCH 8 11 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 34 ATOM 34 N THR A 4 1.941 2.069 -1.243 0.00 0.00 -0.300 N ATOM 35 H THR A 4 1.457 2.375 -2.087 0.00 0.00 +0.150 HD ATOM 36 C GLU A 3 3.290 1.955 -1.417 0.00 0.00 +0.234 C ATOM 37 O GLU A 3 3.779 2.337 -2.484 0.00 0.00 -0.274 OA BRANCH 36 38 ATOM 38 CA GLU A 3 4.181 1.446 -0.262 0.00 0.00 +0.159 C BRANCH 38 39 ATOM 39 N GLU A 3 5.287 0.697 -0.844 0.00 0.00 -0.302 N ATOM 40 H GLU A 3 5.914 1.209 -1.466 0.00 0.00 +0.150 HD ATOM 41 C UNK A 2 5.143 -0.651 -1.129 0.00 0.00 +0.235 C ATOM 42 O UNK A 2 4.137 -1.288 -0.822 0.00 0.00 -0.274 OA BRANCH 41 43 ATOM 43 C UNK A 2 6.235 -1.219 -2.055 0.00 0.00 +0.172 C ATOM 44 N UNK A 2 7.603 -0.680 -1.959 0.00 0.00 -0.279 N ATOM 45 C ASP A 1 8.159 -0.576 -0.680 0.00 0.00 +0.234 C ATOM 46 O ASP A 1 7.591 -1.026 0.318 0.00 0.00 -0.274 OA ATOM 47 C UNK A 2 8.403 -1.306 -2.987 0.00 0.00 +0.178 C ATOM 48 S UNK A 2 7.794 -3.022 -3.122 0.00 0.00 -0.139 S ATOM 49 C UNK A 2 6.338 -2.735 -2.049 0.00 0.00 +0.102 C BRANCH 45 50 ATOM 50 CA ASP A 1 9.392 0.371 -0.527 0.00 0.00 +0.149 C BRANCH 50 51 ATOM 51 N ASP A 1 9.303 1.028 0.823 0.00 0.00 -0.320 NA ATOM 52 H1 ASP A 1 9.865 0.454 1.469 0.00 0.00 +0.119 HD ATOM 53 H2 ASP A 1 8.358 0.788 1.178 0.00 0.00 +0.119 HD ENDBRANCH 50 51 BRANCH 50 54 ATOM 54 CB ASP A 1 10.788 -0.200 -0.768 0.00 0.00 +0.148 C BRANCH 54 55 ATOM 55 CG ASP A 1 11.034 -1.550 -0.148 0.00 0.00 +0.307 C ATOM 56 OD1 ASP A 1 10.419 -2.007 0.800 0.00 0.00 -0.251 OA BRANCH 55 57 ATOM 57 OD2 ASP A 1 12.077 -2.202 -0.715 0.00 0.00 -0.481 OA ATOM 58 HD2 ASP A 1 12.537 -1.714 -1.425 0.00 0.00 +0.295 HD ENDBRANCH 55 57 ENDBRANCH 54 55 ENDBRANCH 50 54 ENDBRANCH 45 50 ENDBRANCH 41 43 ENDBRANCH 38 39 BRANCH 38 59 ATOM 59 CB GLU A 3 4.644 2.601 0.645 0.00 0.00 +0.043 C BRANCH 59 60 ATOM 60 CG GLU A 3 5.509 3.679 -0.012 0.00 0.00 +0.123 C BRANCH 60 61 ATOM 61 CD GLU A 3 6.903 3.186 -0.262 0.00 0.00 +0.305 C ATOM 62 OE1 GLU A 3 7.291 2.681 -1.304 0.00 0.00 -0.251 OA BRANCH 61 63 ATOM 63 OE2 GLU A 3 7.681 3.268 0.834 0.00 0.00 -0.481 OA ATOM 64 HE2 GLU A 3 8.503 2.743 0.651 0.00 0.00 +0.295 HD ENDBRANCH 61 63 ENDBRANCH 60 61 ENDBRANCH 59 60 ENDBRANCH 38 59 ENDBRANCH 36 38 ENDBRANCH 1 34 BRANCH 1 66 ATOM 65 CG2 THR A 4 -0.584 2.664 1.195 0.00 0.00 +0.040 C ATOM 66 CB THR A 4 0.843 2.166 0.988 0.00 0.00 +0.141 C BRANCH 66 67 ATOM 67 OG1 THR A 4 1.235 1.407 2.139 0.00 0.00 -0.390 OA ATOM 68 HG1 THR A 4 1.149 1.983 2.920 0.00 0.00 +0.210 HD ENDBRANCH 66 67 ENDBRANCH 1 66 TORSDOF 29