USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.21) USER MOD Set 1.2: A 142 GLN : amide:sc= 0 X(o=-0.39,f=-0.21) USER MOD Single : A 88 MET CE :methyl -138:sc= -0.803 (180deg=-3.4!) USER MOD Single : A 91 MET CE :methyl -156:sc= -0.351 (180deg=-1.71) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot -126:sc= 0.502 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 8:sc= 0.377 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 141 GLN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -179:sc= 0.0457 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.145 6.616 18.009 1.00 0.00 N ATOM 2 CA MET A 88 1.760 6.453 16.581 1.00 0.00 C ATOM 3 C MET A 88 1.502 7.804 15.924 1.00 0.00 C ATOM 4 O MET A 88 1.728 8.853 16.528 1.00 0.00 O ATOM 5 CB MET A 88 0.503 5.581 16.508 1.00 0.00 C ATOM 6 CG MET A 88 0.656 4.232 17.196 1.00 0.00 C ATOM 7 SD MET A 88 -0.772 3.804 18.211 1.00 0.00 S ATOM 8 CE MET A 88 -1.802 2.964 17.011 1.00 0.00 C ATOM 0 HA MET A 88 2.579 5.976 16.042 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.329 6.119 16.963 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.244 5.419 15.462 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.806 3.459 16.442 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.549 4.246 17.820 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.838 3.276 17.139 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.468 3.217 16.005 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.727 1.887 17.158 1.00 0.00 H new ATOM 20 N PHE A 89 1.027 7.772 14.682 1.00 0.00 N ATOM 21 CA PHE A 89 0.738 8.996 13.943 1.00 0.00 C ATOM 22 C PHE A 89 -0.367 8.766 12.918 1.00 0.00 C ATOM 23 O PHE A 89 -0.177 8.048 11.936 1.00 0.00 O ATOM 24 CB PHE A 89 2.001 9.502 13.243 1.00 0.00 C ATOM 25 CG PHE A 89 2.969 10.183 14.168 1.00 0.00 C ATOM 26 CD1 PHE A 89 3.869 9.443 14.918 1.00 0.00 C ATOM 27 CD2 PHE A 89 2.979 11.564 14.287 1.00 0.00 C ATOM 28 CE1 PHE A 89 4.761 10.067 15.770 1.00 0.00 C ATOM 29 CE2 PHE A 89 3.869 12.193 15.137 1.00 0.00 C ATOM 30 CZ PHE A 89 4.761 11.444 15.880 1.00 0.00 C ATOM 0 H PHE A 89 0.834 6.913 14.167 1.00 0.00 H new ATOM 0 HA PHE A 89 0.397 9.748 14.654 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.501 8.662 12.762 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.715 10.197 12.454 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.874 8.366 14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.284 12.155 13.709 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.457 9.479 16.349 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.867 13.270 15.220 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.457 11.934 16.545 1.00 0.00 H new ATOM 40 N ALA A 90 -1.523 9.381 13.151 1.00 0.00 N ATOM 41 CA ALA A 90 -2.657 9.245 12.249 1.00 0.00 C ATOM 42 C ALA A 90 -2.737 10.426 11.289 1.00 0.00 C ATOM 43 O ALA A 90 -2.037 11.424 11.455 1.00 0.00 O ATOM 44 CB ALA A 90 -3.949 9.114 13.043 1.00 0.00 C ATOM 0 H ALA A 90 -1.697 9.979 13.959 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.516 8.340 11.658 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.789 9.013 12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.895 8.233 13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.089 10.002 13.659 1.00 0.00 H new ATOM 50 N MET A 91 -3.597 10.303 10.286 1.00 0.00 N ATOM 51 CA MET A 91 -3.776 11.358 9.295 1.00 0.00 C ATOM 52 C MET A 91 -5.232 11.443 8.848 1.00 0.00 C ATOM 53 O MET A 91 -6.120 10.866 9.477 1.00 0.00 O ATOM 54 CB MET A 91 -2.872 11.107 8.085 1.00 0.00 C ATOM 55 CG MET A 91 -1.453 10.709 8.455 1.00 0.00 C ATOM 56 SD MET A 91 -0.239 11.259 7.241 1.00 0.00 S ATOM 57 CE MET A 91 -0.802 10.387 5.781 1.00 0.00 C ATOM 0 H MET A 91 -4.183 9.482 10.137 1.00 0.00 H new ATOM 0 HA MET A 91 -3.501 12.307 9.756 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.312 10.321 7.471 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.839 12.009 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.204 11.130 9.429 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.398 9.625 8.553 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.029 10.266 5.087 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.182 9.406 6.067 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.596 10.958 5.300 1.00 0.00 H new ATOM 67 N TYR A 92 -5.472 12.167 7.758 1.00 0.00 N ATOM 68 CA TYR A 92 -6.821 12.328 7.227 1.00 0.00 C ATOM 69 C TYR A 92 -6.913 11.776 5.806 1.00 0.00 C ATOM 70 O TYR A 92 -5.911 11.695 5.098 1.00 0.00 O ATOM 71 CB TYR A 92 -7.227 13.803 7.243 1.00 0.00 C ATOM 72 CG TYR A 92 -6.129 14.740 6.791 1.00 0.00 C ATOM 73 CD1 TYR A 92 -5.169 15.197 7.685 1.00 0.00 C ATOM 74 CD2 TYR A 92 -6.054 15.167 5.472 1.00 0.00 C ATOM 75 CE1 TYR A 92 -4.164 16.053 7.276 1.00 0.00 C ATOM 76 CE2 TYR A 92 -5.052 16.023 5.055 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.110 16.463 5.961 1.00 0.00 C ATOM 78 OH TYR A 92 -3.111 17.315 5.549 1.00 0.00 O ATOM 0 H TYR A 92 -4.749 12.651 7.226 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.505 11.766 7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.096 13.939 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.533 14.076 8.253 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.209 14.878 8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.791 14.825 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.425 16.399 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.007 16.345 4.025 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.216 17.505 4.593 1.00 0.00 H new ATOM 88 N PRO A 93 -8.124 11.384 5.371 1.00 0.00 N ATOM 89 CA PRO A 93 -8.348 10.836 4.037 1.00 0.00 C ATOM 90 C PRO A 93 -8.622 11.917 2.995 1.00 0.00 C ATOM 91 O PRO A 93 -9.470 11.746 2.119 1.00 0.00 O ATOM 92 CB PRO A 93 -9.584 9.970 4.246 1.00 0.00 C ATOM 93 CG PRO A 93 -10.368 10.681 5.299 1.00 0.00 C ATOM 94 CD PRO A 93 -9.374 11.438 6.151 1.00 0.00 C ATOM 0 HA PRO A 93 -7.479 10.301 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.158 9.869 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.314 8.963 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.089 11.363 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.934 9.972 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.695 12.466 6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.254 10.976 7.131 1.00 0.00 H new ATOM 102 N ASP A 94 -7.901 13.029 3.095 1.00 0.00 N ATOM 103 CA ASP A 94 -8.070 14.137 2.161 1.00 0.00 C ATOM 104 C ASP A 94 -6.832 14.317 1.283 1.00 0.00 C ATOM 105 O ASP A 94 -6.883 14.999 0.260 1.00 0.00 O ATOM 106 CB ASP A 94 -8.361 15.432 2.921 1.00 0.00 C ATOM 107 CG ASP A 94 -9.330 16.331 2.179 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.442 15.865 1.855 1.00 0.00 O ATOM 109 OD2 ASP A 94 -8.977 17.501 1.924 1.00 0.00 O ATOM 0 H ASP A 94 -7.194 13.187 3.813 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.915 13.901 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.771 15.190 3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.428 15.969 3.090 1.00 0.00 H new ATOM 114 N TRP A 95 -5.721 13.704 1.687 1.00 0.00 N ATOM 115 CA TRP A 95 -4.476 13.801 0.939 1.00 0.00 C ATOM 116 C TRP A 95 -4.677 13.401 -0.522 1.00 0.00 C ATOM 117 O TRP A 95 -5.553 12.598 -0.842 1.00 0.00 O ATOM 118 CB TRP A 95 -3.416 12.911 1.583 1.00 0.00 C ATOM 119 CG TRP A 95 -3.768 11.455 1.561 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.222 10.706 2.608 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.696 10.572 0.435 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.435 9.410 2.203 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.120 9.304 0.873 1.00 0.00 C ATOM 124 CE3 TRP A 95 -3.315 10.732 -0.900 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.173 8.202 0.021 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -3.367 9.638 -1.743 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.795 8.388 -1.280 1.00 0.00 C ATOM 0 H TRP A 95 -5.661 13.134 2.531 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.143 14.839 0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.468 13.056 1.066 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.267 13.226 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.389 11.077 3.608 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.772 8.651 2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.986 11.693 -1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.501 7.236 0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.073 9.749 -2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.827 7.553 -1.965 1.00 0.00 H new ATOM 138 N GLN A 96 -3.859 13.969 -1.402 1.00 0.00 N ATOM 139 CA GLN A 96 -3.944 13.672 -2.828 1.00 0.00 C ATOM 140 C GLN A 96 -2.554 13.479 -3.428 1.00 0.00 C ATOM 141 O GLN A 96 -1.582 14.076 -2.967 1.00 0.00 O ATOM 142 CB GLN A 96 -4.677 14.799 -3.559 1.00 0.00 C ATOM 143 CG GLN A 96 -6.180 14.798 -3.330 1.00 0.00 C ATOM 144 CD GLN A 96 -6.832 16.104 -3.739 1.00 0.00 C ATOM 145 OE1 GLN A 96 -7.513 16.746 -2.940 1.00 0.00 O ATOM 146 NE2 GLN A 96 -6.628 16.501 -4.989 1.00 0.00 N ATOM 0 H GLN A 96 -3.130 14.637 -1.153 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.503 12.744 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.269 15.756 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.481 14.715 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.629 13.980 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.383 14.609 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.056 15.936 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.043 17.371 -5.322 1.00 0.00 H new ATOM 155 N PRO A 97 -2.442 12.637 -4.470 1.00 0.00 N ATOM 156 CA PRO A 97 -1.161 12.368 -5.133 1.00 0.00 C ATOM 157 C PRO A 97 -0.446 13.648 -5.552 1.00 0.00 C ATOM 158 O PRO A 97 -1.082 14.665 -5.824 1.00 0.00 O ATOM 159 CB PRO A 97 -1.560 11.552 -6.364 1.00 0.00 C ATOM 160 CG PRO A 97 -2.852 10.909 -5.990 1.00 0.00 C ATOM 161 CD PRO A 97 -3.552 11.884 -5.084 1.00 0.00 C ATOM 0 HA PRO A 97 -0.462 11.854 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.674 12.189 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.803 10.807 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.453 10.697 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.683 9.958 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.223 12.539 -5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.155 11.373 -4.333 1.00 0.00 H new ATOM 169 N ASP A 98 0.880 13.589 -5.602 1.00 0.00 N ATOM 170 CA ASP A 98 1.683 14.744 -5.988 1.00 0.00 C ATOM 171 C ASP A 98 3.151 14.360 -6.141 1.00 0.00 C ATOM 172 O ASP A 98 3.514 13.191 -6.008 1.00 0.00 O ATOM 173 CB ASP A 98 1.540 15.860 -4.950 1.00 0.00 C ATOM 174 CG ASP A 98 1.489 17.237 -5.583 1.00 0.00 C ATOM 175 OD1 ASP A 98 1.997 17.390 -6.714 1.00 0.00 O ATOM 176 OD2 ASP A 98 0.939 18.162 -4.950 1.00 0.00 O ATOM 0 H ASP A 98 1.422 12.754 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 98 1.319 15.103 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.633 15.697 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.378 15.814 -4.254 1.00 0.00 H new ATOM 181 N ALA A 99 3.991 15.351 -6.419 1.00 0.00 N ATOM 182 CA ALA A 99 5.420 15.118 -6.590 1.00 0.00 C ATOM 183 C ALA A 99 6.034 14.532 -5.324 1.00 0.00 C ATOM 184 O ALA A 99 6.991 13.759 -5.385 1.00 0.00 O ATOM 185 CB ALA A 99 6.125 16.410 -6.971 1.00 0.00 C ATOM 0 H ALA A 99 3.706 16.324 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 99 5.551 14.396 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.191 16.220 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.712 16.787 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.978 17.150 -6.185 1.00 0.00 H new ATOM 191 N ASP A 100 5.478 14.903 -4.175 1.00 0.00 N ATOM 192 CA ASP A 100 5.971 14.414 -2.893 1.00 0.00 C ATOM 193 C ASP A 100 5.808 12.901 -2.788 1.00 0.00 C ATOM 194 O ASP A 100 6.609 12.223 -2.144 1.00 0.00 O ATOM 195 CB ASP A 100 5.230 15.098 -1.743 1.00 0.00 C ATOM 196 CG ASP A 100 3.725 15.064 -1.923 1.00 0.00 C ATOM 197 OD1 ASP A 100 3.158 13.952 -1.974 1.00 0.00 O ATOM 198 OD2 ASP A 100 3.113 16.149 -2.015 1.00 0.00 O ATOM 0 H ASP A 100 4.685 15.541 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 100 7.032 14.653 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.492 14.610 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.561 16.134 -1.667 1.00 0.00 H new ATOM 203 N PHE A 101 4.766 12.378 -3.425 1.00 0.00 N ATOM 204 CA PHE A 101 4.497 10.945 -3.403 1.00 0.00 C ATOM 205 C PHE A 101 5.649 10.166 -4.031 1.00 0.00 C ATOM 206 O PHE A 101 6.161 9.213 -3.443 1.00 0.00 O ATOM 207 CB PHE A 101 3.193 10.638 -4.141 1.00 0.00 C ATOM 208 CG PHE A 101 2.253 9.763 -3.361 1.00 0.00 C ATOM 209 CD1 PHE A 101 1.919 10.077 -2.054 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.705 8.628 -3.935 1.00 0.00 C ATOM 211 CE1 PHE A 101 1.055 9.274 -1.333 1.00 0.00 C ATOM 212 CE2 PHE A 101 0.841 7.821 -3.219 1.00 0.00 C ATOM 213 CZ PHE A 101 0.516 8.145 -1.917 1.00 0.00 C ATOM 0 H PHE A 101 4.094 12.925 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 101 4.398 10.634 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.690 11.575 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.427 10.152 -5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.338 10.959 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.956 8.371 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.802 9.529 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.421 6.938 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.159 7.516 -1.356 1.00 0.00 H new ATOM 223 N ILE A 102 6.053 10.578 -5.228 1.00 0.00 N ATOM 224 CA ILE A 102 7.145 9.919 -5.934 1.00 0.00 C ATOM 225 C ILE A 102 8.478 10.170 -5.239 1.00 0.00 C ATOM 226 O ILE A 102 9.345 9.297 -5.201 1.00 0.00 O ATOM 227 CB ILE A 102 7.242 10.399 -7.395 1.00 0.00 C ATOM 228 CG1 ILE A 102 5.871 10.328 -8.071 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.260 9.567 -8.161 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.258 8.945 -8.049 1.00 0.00 C ATOM 0 H ILE A 102 5.641 11.365 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 102 6.928 8.851 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 102 7.575 11.437 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.194 11.025 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.967 10.658 -9.105 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.316 9.919 -9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.238 9.665 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.956 8.520 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.288 8.969 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.915 8.248 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.129 8.620 -7.016 1.00 0.00 H new ATOM 242 N ARG A 103 8.636 11.369 -4.687 1.00 0.00 N ATOM 243 CA ARG A 103 9.863 11.737 -3.991 1.00 0.00 C ATOM 244 C ARG A 103 10.114 10.808 -2.807 1.00 0.00 C ATOM 245 O ARG A 103 11.206 10.259 -2.656 1.00 0.00 O ATOM 246 CB ARG A 103 9.788 13.190 -3.514 1.00 0.00 C ATOM 247 CG ARG A 103 10.811 14.099 -4.176 1.00 0.00 C ATOM 248 CD ARG A 103 11.736 14.739 -3.152 1.00 0.00 C ATOM 249 NE ARG A 103 12.457 15.883 -3.705 1.00 0.00 N ATOM 250 CZ ARG A 103 13.536 15.776 -4.478 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.020 14.582 -4.793 1.00 0.00 N ATOM 252 NH2 ARG A 103 14.131 16.868 -4.939 1.00 0.00 N ATOM 0 H ARG A 103 7.928 12.103 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 103 10.694 11.637 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.788 13.577 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.934 13.218 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.400 13.525 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.296 14.877 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.154 15.060 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.451 13.997 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 103 12.114 16.818 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.565 13.739 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.847 14.507 -5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.762 17.789 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.958 16.787 -5.531 1.00 0.00 H new ATOM 266 N LEU A 104 9.096 10.636 -1.970 1.00 0.00 N ATOM 267 CA LEU A 104 9.206 9.774 -0.799 1.00 0.00 C ATOM 268 C LEU A 104 9.323 8.311 -1.211 1.00 0.00 C ATOM 269 O LEU A 104 10.113 7.557 -0.643 1.00 0.00 O ATOM 270 CB LEU A 104 7.994 9.964 0.116 1.00 0.00 C ATOM 271 CG LEU A 104 8.130 11.088 1.144 1.00 0.00 C ATOM 272 CD1 LEU A 104 6.872 11.188 1.993 1.00 0.00 C ATOM 273 CD2 LEU A 104 9.352 10.861 2.021 1.00 0.00 C ATOM 0 H LEU A 104 8.186 11.082 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 104 10.109 10.053 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.118 10.162 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.807 9.029 0.645 1.00 0.00 H new ATOM 0 HG LEU A 104 8.260 12.030 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.986 11.993 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.016 11.397 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.711 10.246 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.434 11.670 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.252 9.911 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.247 10.839 1.399 1.00 0.00 H new ATOM 285 N ALA A 105 8.531 7.914 -2.201 1.00 0.00 N ATOM 286 CA ALA A 105 8.546 6.539 -2.688 1.00 0.00 C ATOM 287 C ALA A 105 9.906 6.178 -3.276 1.00 0.00 C ATOM 288 O ALA A 105 10.384 5.055 -3.115 1.00 0.00 O ATOM 289 CB ALA A 105 7.450 6.335 -3.724 1.00 0.00 C ATOM 0 H ALA A 105 7.871 8.525 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 105 8.360 5.878 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.472 5.305 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.480 6.542 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.612 7.012 -4.563 1.00 0.00 H new ATOM 295 N ALA A 106 10.524 7.137 -3.958 1.00 0.00 N ATOM 296 CA ALA A 106 11.828 6.919 -4.571 1.00 0.00 C ATOM 297 C ALA A 106 12.903 6.695 -3.514 1.00 0.00 C ATOM 298 O ALA A 106 13.750 5.812 -3.651 1.00 0.00 O ATOM 299 CB ALA A 106 12.197 8.099 -5.459 1.00 0.00 C ATOM 0 H ALA A 106 10.142 8.072 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 106 11.767 6.020 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.173 7.923 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.449 8.212 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.233 9.008 -4.859 1.00 0.00 H new ATOM 305 N LEU A 107 12.863 7.499 -2.457 1.00 0.00 N ATOM 306 CA LEU A 107 13.831 7.389 -1.374 1.00 0.00 C ATOM 307 C LEU A 107 13.441 6.272 -0.409 1.00 0.00 C ATOM 308 O LEU A 107 14.299 5.674 0.242 1.00 0.00 O ATOM 309 CB LEU A 107 13.940 8.725 -0.630 1.00 0.00 C ATOM 310 CG LEU A 107 14.615 8.657 0.740 1.00 0.00 C ATOM 311 CD1 LEU A 107 16.053 8.181 0.605 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.563 10.014 1.428 1.00 0.00 C ATOM 0 H LEU A 107 12.169 8.235 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 107 14.803 7.142 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.493 9.426 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.938 9.134 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 107 14.073 7.938 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.516 8.139 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 107 16.067 7.188 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.608 8.874 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 107 15.048 9.947 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.080 10.753 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.524 10.315 1.560 1.00 0.00 H new ATOM 324 N TRP A 108 12.144 5.998 -0.319 1.00 0.00 N ATOM 325 CA TRP A 108 11.642 4.954 0.568 1.00 0.00 C ATOM 326 C TRP A 108 12.066 3.566 0.087 1.00 0.00 C ATOM 327 O TRP A 108 11.955 2.587 0.824 1.00 0.00 O ATOM 328 CB TRP A 108 10.117 5.028 0.664 1.00 0.00 C ATOM 329 CG TRP A 108 9.626 6.079 1.614 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.387 6.912 2.384 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.260 6.410 1.895 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.579 7.739 3.125 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.270 7.450 2.844 1.00 0.00 C ATOM 334 CE3 TRP A 108 7.031 5.926 1.437 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.098 8.015 3.341 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.869 6.488 1.932 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.909 7.522 2.875 1.00 0.00 C ATOM 0 H TRP A 108 11.421 6.484 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 108 12.073 5.119 1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.708 5.226 -0.327 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.734 4.058 0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.467 6.919 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.901 8.453 3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.990 5.128 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.126 8.813 4.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.914 6.123 1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.983 7.939 3.242 1.00 0.00 H new ATOM 348 N GLY A 109 12.552 3.487 -1.149 1.00 0.00 N ATOM 349 CA GLY A 109 12.983 2.212 -1.694 1.00 0.00 C ATOM 350 C GLY A 109 11.938 1.583 -2.595 1.00 0.00 C ATOM 351 O GLY A 109 11.684 0.381 -2.516 1.00 0.00 O ATOM 0 H GLY A 109 12.655 4.281 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.905 2.354 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.211 1.529 -0.876 1.00 0.00 H new ATOM 355 N VAL A 110 11.334 2.397 -3.455 1.00 0.00 N ATOM 356 CA VAL A 110 10.313 1.912 -4.376 1.00 0.00 C ATOM 357 C VAL A 110 10.513 2.493 -5.770 1.00 0.00 C ATOM 358 O VAL A 110 10.316 3.688 -5.990 1.00 0.00 O ATOM 359 CB VAL A 110 8.897 2.264 -3.883 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.846 1.554 -4.722 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.740 1.913 -2.411 1.00 0.00 C ATOM 0 H VAL A 110 11.534 3.394 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 110 10.414 0.828 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 110 8.752 3.339 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.852 1.815 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.943 1.861 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.988 0.476 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.733 2.169 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.907 0.845 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.468 2.473 -1.824 1.00 0.00 H new ATOM 371 N ALA A 111 10.904 1.640 -6.711 1.00 0.00 N ATOM 372 CA ALA A 111 11.132 2.070 -8.086 1.00 0.00 C ATOM 373 C ALA A 111 9.819 2.157 -8.858 1.00 0.00 C ATOM 374 O ALA A 111 9.136 1.153 -9.055 1.00 0.00 O ATOM 375 CB ALA A 111 12.095 1.120 -8.782 1.00 0.00 C ATOM 0 H ALA A 111 11.070 0.647 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 111 11.575 3.066 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.257 1.452 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.046 1.111 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.673 0.115 -8.789 1.00 0.00 H new ATOM 381 N LEU A 112 9.474 3.364 -9.294 1.00 0.00 N ATOM 382 CA LEU A 112 8.244 3.583 -10.045 1.00 0.00 C ATOM 383 C LEU A 112 8.382 3.076 -11.476 1.00 0.00 C ATOM 384 O LEU A 112 9.166 3.609 -12.262 1.00 0.00 O ATOM 385 CB LEU A 112 7.883 5.070 -10.051 1.00 0.00 C ATOM 386 CG LEU A 112 7.296 5.598 -8.741 1.00 0.00 C ATOM 387 CD1 LEU A 112 5.972 4.916 -8.437 1.00 0.00 C ATOM 388 CD2 LEU A 112 8.278 5.397 -7.598 1.00 0.00 C ATOM 0 H LEU A 112 10.029 4.206 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 112 7.446 3.024 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.778 5.645 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.166 5.251 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 112 7.113 6.667 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.569 5.304 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.267 5.113 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.129 3.841 -8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.844 5.778 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 112 8.494 4.334 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.202 5.934 -7.813 1.00 0.00 H new ATOM 400 N ARG A 113 7.615 2.042 -11.809 1.00 0.00 N ATOM 401 CA ARG A 113 7.651 1.463 -13.147 1.00 0.00 C ATOM 402 C ARG A 113 6.434 1.893 -13.959 1.00 0.00 C ATOM 403 O ARG A 113 6.504 2.026 -15.181 1.00 0.00 O ATOM 404 CB ARG A 113 7.714 -0.063 -13.063 1.00 0.00 C ATOM 405 CG ARG A 113 8.675 -0.689 -14.060 1.00 0.00 C ATOM 406 CD ARG A 113 8.012 -0.923 -15.409 1.00 0.00 C ATOM 407 NE ARG A 113 8.682 -0.191 -16.482 1.00 0.00 N ATOM 408 CZ ARG A 113 9.928 -0.438 -16.881 1.00 0.00 C ATOM 409 NH1 ARG A 113 10.642 -1.393 -16.298 1.00 0.00 N ATOM 410 NH2 ARG A 113 10.461 0.273 -17.865 1.00 0.00 N ATOM 0 H ARG A 113 6.961 1.588 -11.171 1.00 0.00 H new ATOM 0 HA ARG A 113 8.546 1.828 -13.651 1.00 0.00 H new ATOM 0 HB2 ARG A 113 8.012 -0.351 -12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.716 -0.469 -13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.541 -0.040 -14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.042 -1.636 -13.666 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.020 -1.989 -15.637 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.967 -0.616 -15.358 1.00 0.00 H new ATOM 0 HE ARG A 113 8.165 0.552 -16.952 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.237 -1.942 -15.540 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.596 -1.578 -16.608 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.917 1.008 -18.316 1.00 0.00 H new ATOM 0 HH22 ARG A 113 11.415 0.085 -18.171 1.00 0.00 H new ATOM 424 N GLU A 114 5.317 2.108 -13.271 1.00 0.00 N ATOM 425 CA GLU A 114 4.082 2.522 -13.928 1.00 0.00 C ATOM 426 C GLU A 114 3.425 3.676 -13.174 1.00 0.00 C ATOM 427 O GLU A 114 3.699 3.892 -11.993 1.00 0.00 O ATOM 428 CB GLU A 114 3.112 1.344 -14.027 1.00 0.00 C ATOM 429 CG GLU A 114 3.406 0.410 -15.191 1.00 0.00 C ATOM 430 CD GLU A 114 2.165 0.063 -15.990 1.00 0.00 C ATOM 431 OE1 GLU A 114 1.573 0.981 -16.595 1.00 0.00 O ATOM 432 OE2 GLU A 114 1.787 -1.127 -16.010 1.00 0.00 O ATOM 0 H GLU A 114 5.242 2.002 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 114 4.331 2.863 -14.933 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.148 0.775 -13.098 1.00 0.00 H new ATOM 0 HB3 GLU A 114 2.097 1.728 -14.127 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.139 0.876 -15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.857 -0.507 -14.811 1.00 0.00 H new ATOM 439 N PRO A 115 2.545 4.436 -13.849 1.00 0.00 N ATOM 440 CA PRO A 115 1.850 5.573 -13.236 1.00 0.00 C ATOM 441 C PRO A 115 0.890 5.137 -12.134 1.00 0.00 C ATOM 442 O PRO A 115 0.560 3.957 -12.014 1.00 0.00 O ATOM 443 CB PRO A 115 1.077 6.196 -14.402 1.00 0.00 C ATOM 444 CG PRO A 115 0.927 5.094 -15.394 1.00 0.00 C ATOM 445 CD PRO A 115 2.161 4.249 -15.259 1.00 0.00 C ATOM 0 HA PRO A 115 2.545 6.261 -12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 115 0.106 6.570 -14.077 1.00 0.00 H new ATOM 0 HB3 PRO A 115 1.618 7.041 -14.828 1.00 0.00 H new ATOM 0 HG2 PRO A 115 0.029 4.509 -15.195 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.833 5.489 -16.406 1.00 0.00 H new ATOM 0 HD2 PRO A 115 1.959 3.202 -15.486 1.00 0.00 H new ATOM 0 HD3 PRO A 115 2.949 4.576 -15.938 1.00 0.00 H new ATOM 453 N VAL A 116 0.446 6.098 -11.330 1.00 0.00 N ATOM 454 CA VAL A 116 -0.476 5.814 -10.236 1.00 0.00 C ATOM 455 C VAL A 116 -1.902 5.646 -10.750 1.00 0.00 C ATOM 456 O VAL A 116 -2.468 6.560 -11.348 1.00 0.00 O ATOM 457 CB VAL A 116 -0.452 6.933 -9.176 1.00 0.00 C ATOM 458 CG1 VAL A 116 -1.295 6.547 -7.971 1.00 0.00 C ATOM 459 CG2 VAL A 116 0.978 7.244 -8.757 1.00 0.00 C ATOM 0 H VAL A 116 0.710 7.080 -11.415 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.146 4.882 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 116 -0.881 7.833 -9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.265 7.350 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.325 6.381 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.900 5.633 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.974 8.036 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.436 6.349 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.549 7.569 -9.626 1.00 0.00 H new ATOM 469 N THR A 117 -2.477 4.472 -10.511 1.00 0.00 N ATOM 470 CA THR A 117 -3.837 4.183 -10.949 1.00 0.00 C ATOM 471 C THR A 117 -4.853 4.639 -9.906 1.00 0.00 C ATOM 472 O THR A 117 -4.545 4.716 -8.717 1.00 0.00 O ATOM 473 CB THR A 117 -4.003 2.686 -11.217 1.00 0.00 C ATOM 474 OG1 THR A 117 -3.514 1.925 -10.127 1.00 0.00 O ATOM 475 CG2 THR A 117 -3.283 2.219 -12.464 1.00 0.00 C ATOM 0 H THR A 117 -2.022 3.705 -10.016 1.00 0.00 H new ATOM 0 HA THR A 117 -4.018 4.733 -11.873 1.00 0.00 H new ATOM 0 HB THR A 117 -5.073 2.533 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.863 1.269 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.441 1.149 -12.596 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.673 2.753 -13.331 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.216 2.419 -12.364 1.00 0.00 H new ATOM 483 N THR A 118 -6.065 4.942 -10.360 1.00 0.00 N ATOM 484 CA THR A 118 -7.125 5.390 -9.465 1.00 0.00 C ATOM 485 C THR A 118 -7.587 4.256 -8.555 1.00 0.00 C ATOM 486 O THR A 118 -7.999 4.487 -7.419 1.00 0.00 O ATOM 487 CB THR A 118 -8.309 5.928 -10.271 1.00 0.00 C ATOM 488 OG1 THR A 118 -7.862 6.784 -11.307 1.00 0.00 O ATOM 489 CG2 THR A 118 -9.302 6.702 -9.432 1.00 0.00 C ATOM 0 H THR A 118 -6.337 4.885 -11.341 1.00 0.00 H new ATOM 0 HA THR A 118 -6.725 6.190 -8.842 1.00 0.00 H new ATOM 0 HB THR A 118 -8.808 5.047 -10.674 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.633 7.117 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.116 7.055 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.703 6.054 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.803 7.555 -8.973 1.00 0.00 H new ATOM 497 N GLU A 119 -7.515 3.030 -9.064 1.00 0.00 N ATOM 498 CA GLU A 119 -7.926 1.860 -8.296 1.00 0.00 C ATOM 499 C GLU A 119 -7.086 1.717 -7.031 1.00 0.00 C ATOM 500 O GLU A 119 -7.612 1.437 -5.953 1.00 0.00 O ATOM 501 CB GLU A 119 -7.804 0.595 -9.149 1.00 0.00 C ATOM 502 CG GLU A 119 -6.388 0.316 -9.624 1.00 0.00 C ATOM 503 CD GLU A 119 -6.313 -0.865 -10.571 1.00 0.00 C ATOM 504 OE1 GLU A 119 -6.511 -0.665 -11.788 1.00 0.00 O ATOM 505 OE2 GLU A 119 -6.056 -1.992 -10.096 1.00 0.00 O ATOM 0 H GLU A 119 -7.177 2.821 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.968 1.995 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.159 -0.258 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.458 0.687 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.995 1.202 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.750 0.126 -8.761 1.00 0.00 H new ATOM 512 N GLU A 120 -5.778 1.910 -7.170 1.00 0.00 N ATOM 513 CA GLU A 120 -4.865 1.802 -6.038 1.00 0.00 C ATOM 514 C GLU A 120 -5.089 2.941 -5.048 1.00 0.00 C ATOM 515 O GLU A 120 -5.146 2.722 -3.838 1.00 0.00 O ATOM 516 CB GLU A 120 -3.414 1.812 -6.524 1.00 0.00 C ATOM 517 CG GLU A 120 -2.925 0.457 -7.008 1.00 0.00 C ATOM 518 CD GLU A 120 -1.789 0.570 -8.006 1.00 0.00 C ATOM 519 OE1 GLU A 120 -0.709 1.066 -7.622 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.980 0.163 -9.170 1.00 0.00 O ATOM 0 H GLU A 120 -5.327 2.142 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.065 0.858 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.316 2.535 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.770 2.153 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.595 -0.133 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.754 -0.082 -7.466 1.00 0.00 H new ATOM 527 N LEU A 121 -5.216 4.157 -5.571 1.00 0.00 N ATOM 528 CA LEU A 121 -5.432 5.331 -4.733 1.00 0.00 C ATOM 529 C LEU A 121 -6.740 5.213 -3.955 1.00 0.00 C ATOM 530 O LEU A 121 -6.775 5.436 -2.745 1.00 0.00 O ATOM 531 CB LEU A 121 -5.450 6.598 -5.591 1.00 0.00 C ATOM 532 CG LEU A 121 -4.073 7.100 -6.032 1.00 0.00 C ATOM 533 CD1 LEU A 121 -4.214 8.170 -7.104 1.00 0.00 C ATOM 534 CD2 LEU A 121 -3.296 7.637 -4.840 1.00 0.00 C ATOM 0 H LEU A 121 -5.173 4.355 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.610 5.393 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -6.053 6.409 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.947 7.391 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.519 6.262 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.225 8.515 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.732 7.754 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.786 9.009 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.319 7.990 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.846 8.463 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.165 6.844 -4.104 1.00 0.00 H new ATOM 546 N ALA A 122 -7.812 4.862 -4.657 1.00 0.00 N ATOM 547 CA ALA A 122 -9.121 4.716 -4.033 1.00 0.00 C ATOM 548 C ALA A 122 -9.114 3.598 -2.995 1.00 0.00 C ATOM 549 O ALA A 122 -9.654 3.751 -1.900 1.00 0.00 O ATOM 550 CB ALA A 122 -10.183 4.451 -5.090 1.00 0.00 C ATOM 0 H ALA A 122 -7.800 4.673 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.358 5.649 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.156 4.344 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.214 5.285 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.941 3.534 -5.627 1.00 0.00 H new ATOM 556 N SER A 123 -8.499 2.474 -3.347 1.00 0.00 N ATOM 557 CA SER A 123 -8.422 1.330 -2.446 1.00 0.00 C ATOM 558 C SER A 123 -7.656 1.688 -1.176 1.00 0.00 C ATOM 559 O SER A 123 -7.946 1.171 -0.097 1.00 0.00 O ATOM 560 CB SER A 123 -7.748 0.147 -3.143 1.00 0.00 C ATOM 561 OG SER A 123 -6.512 0.531 -3.719 1.00 0.00 O ATOM 0 H SER A 123 -8.047 2.331 -4.250 1.00 0.00 H new ATOM 0 HA SER A 123 -9.439 1.049 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.584 -0.657 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.407 -0.246 -3.917 1.00 0.00 H new ATOM 0 HG SER A 123 -6.292 1.445 -3.442 1.00 0.00 H new ATOM 567 N PHE A 124 -6.676 2.576 -1.312 1.00 0.00 N ATOM 568 CA PHE A 124 -5.869 3.003 -0.176 1.00 0.00 C ATOM 569 C PHE A 124 -6.685 3.870 0.777 1.00 0.00 C ATOM 570 O PHE A 124 -6.722 3.621 1.982 1.00 0.00 O ATOM 571 CB PHE A 124 -4.639 3.775 -0.661 1.00 0.00 C ATOM 572 CG PHE A 124 -3.373 3.394 0.052 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.195 3.706 1.390 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.362 2.723 -0.616 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.031 3.356 2.049 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.196 2.371 0.037 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.031 2.688 1.372 1.00 0.00 C ATOM 0 H PHE A 124 -6.422 3.013 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.543 2.113 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.510 3.604 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.814 4.843 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.974 4.229 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.486 2.472 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -1.905 3.605 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.415 1.849 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.121 2.413 1.885 1.00 0.00 H new ATOM 587 N ILE A 125 -7.338 4.889 0.228 1.00 0.00 N ATOM 588 CA ILE A 125 -8.154 5.795 1.028 1.00 0.00 C ATOM 589 C ILE A 125 -9.390 5.086 1.573 1.00 0.00 C ATOM 590 O ILE A 125 -9.887 5.421 2.647 1.00 0.00 O ATOM 591 CB ILE A 125 -8.598 7.023 0.210 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.391 7.681 -0.462 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.324 8.022 1.099 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.760 8.832 -1.373 1.00 0.00 C ATOM 0 H ILE A 125 -7.318 5.108 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.533 6.128 1.860 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.287 6.690 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.709 8.042 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.852 6.930 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.630 8.883 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.205 7.549 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.658 8.351 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.856 9.251 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.418 8.473 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.272 9.602 -0.797 1.00 0.00 H new ATOM 606 N ALA A 126 -9.881 4.102 0.825 1.00 0.00 N ATOM 607 CA ALA A 126 -11.059 3.347 1.234 1.00 0.00 C ATOM 608 C ALA A 126 -10.781 2.535 2.495 1.00 0.00 C ATOM 609 O ALA A 126 -11.459 2.697 3.510 1.00 0.00 O ATOM 610 CB ALA A 126 -11.515 2.433 0.107 1.00 0.00 C ATOM 0 H ALA A 126 -9.481 3.810 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.855 4.057 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.395 1.875 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.762 3.032 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.715 1.737 -0.143 1.00 0.00 H new ATOM 616 N TYR A 127 -9.781 1.662 2.424 1.00 0.00 N ATOM 617 CA TYR A 127 -9.414 0.826 3.561 1.00 0.00 C ATOM 618 C TYR A 127 -8.829 1.667 4.691 1.00 0.00 C ATOM 619 O TYR A 127 -9.043 1.377 5.868 1.00 0.00 O ATOM 620 CB TYR A 127 -8.407 -0.242 3.130 1.00 0.00 C ATOM 621 CG TYR A 127 -8.320 -1.414 4.082 1.00 0.00 C ATOM 622 CD1 TYR A 127 -7.798 -1.257 5.360 1.00 0.00 C ATOM 623 CD2 TYR A 127 -8.759 -2.675 3.702 1.00 0.00 C ATOM 624 CE1 TYR A 127 -7.716 -2.325 6.232 1.00 0.00 C ATOM 625 CE2 TYR A 127 -8.681 -3.748 4.569 1.00 0.00 C ATOM 626 CZ TYR A 127 -8.158 -3.568 5.833 1.00 0.00 C ATOM 627 OH TYR A 127 -8.079 -4.635 6.699 1.00 0.00 O ATOM 0 H TYR A 127 -9.211 1.515 1.591 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.317 0.338 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.680 -0.608 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.422 0.215 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.451 -0.285 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -9.168 -2.820 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -7.307 -2.187 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.028 -4.723 4.259 1.00 0.00 H new ATOM 0 HH TYR A 127 -8.434 -5.438 6.262 1.00 0.00 H new ATOM 637 N TRP A 128 -8.091 2.710 4.324 1.00 0.00 N ATOM 638 CA TRP A 128 -7.474 3.593 5.307 1.00 0.00 C ATOM 639 C TRP A 128 -8.534 4.424 6.027 1.00 0.00 C ATOM 640 O TRP A 128 -8.470 4.607 7.244 1.00 0.00 O ATOM 641 CB TRP A 128 -6.454 4.510 4.621 1.00 0.00 C ATOM 642 CG TRP A 128 -5.933 5.608 5.501 1.00 0.00 C ATOM 643 CD1 TRP A 128 -5.678 6.897 5.130 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.604 5.518 6.893 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.210 7.614 6.204 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.155 6.791 7.298 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.644 4.489 7.839 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -4.751 7.059 8.602 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.241 4.757 9.134 1.00 0.00 C ATOM 650 CH2 TRP A 128 -4.801 6.033 9.506 1.00 0.00 C ATOM 0 H TRP A 128 -7.906 2.964 3.354 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.959 2.981 6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.615 3.907 4.274 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.915 4.953 3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -5.823 7.295 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -4.946 8.599 6.189 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.984 3.502 7.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.410 8.042 8.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.266 3.968 9.871 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.495 6.211 10.526 1.00 0.00 H new ATOM 661 N GLN A 129 -9.504 4.923 5.271 1.00 0.00 N ATOM 662 CA GLN A 129 -10.576 5.734 5.837 1.00 0.00 C ATOM 663 C GLN A 129 -11.580 4.864 6.586 1.00 0.00 C ATOM 664 O GLN A 129 -12.120 5.268 7.615 1.00 0.00 O ATOM 665 CB GLN A 129 -11.288 6.519 4.733 1.00 0.00 C ATOM 666 CG GLN A 129 -12.389 7.431 5.250 1.00 0.00 C ATOM 667 CD GLN A 129 -13.231 8.019 4.134 1.00 0.00 C ATOM 668 OE1 GLN A 129 -13.891 7.292 3.391 1.00 0.00 O ATOM 669 NE2 GLN A 129 -13.209 9.340 4.010 1.00 0.00 N ATOM 0 H GLN A 129 -9.571 4.780 4.263 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.132 6.435 6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -10.554 7.118 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -11.715 5.817 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.032 6.870 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.944 8.240 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.647 9.903 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -13.754 9.792 3.276 1.00 0.00 H new ATOM 678 N ALA A 130 -11.825 3.667 6.063 1.00 0.00 N ATOM 679 CA ALA A 130 -12.764 2.740 6.681 1.00 0.00 C ATOM 680 C ALA A 130 -12.255 2.263 8.036 1.00 0.00 C ATOM 681 O ALA A 130 -13.005 2.217 9.012 1.00 0.00 O ATOM 682 CB ALA A 130 -13.017 1.553 5.763 1.00 0.00 C ATOM 0 H ALA A 130 -11.385 3.317 5.212 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.704 3.269 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.720 0.869 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.434 1.905 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -12.078 1.033 5.573 1.00 0.00 H new ATOM 688 N GLU A 131 -10.975 1.907 8.091 1.00 0.00 N ATOM 689 CA GLU A 131 -10.367 1.432 9.328 1.00 0.00 C ATOM 690 C GLU A 131 -10.385 2.519 10.398 1.00 0.00 C ATOM 691 O GLU A 131 -10.797 2.279 11.533 1.00 0.00 O ATOM 692 CB GLU A 131 -8.928 0.978 9.071 1.00 0.00 C ATOM 693 CG GLU A 131 -8.811 -0.495 8.714 1.00 0.00 C ATOM 694 CD GLU A 131 -9.285 -1.405 9.830 1.00 0.00 C ATOM 695 OE1 GLU A 131 -10.510 -1.631 9.931 1.00 0.00 O ATOM 696 OE2 GLU A 131 -8.433 -1.890 10.603 1.00 0.00 O ATOM 0 H GLU A 131 -10.340 1.939 7.294 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.951 0.585 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.506 1.574 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.329 1.177 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.394 -0.695 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.772 -0.726 8.478 1.00 0.00 H new ATOM 703 N GLY A 132 -9.936 3.715 10.029 1.00 0.00 N ATOM 704 CA GLY A 132 -9.909 4.819 10.969 1.00 0.00 C ATOM 705 C GLY A 132 -8.993 4.553 12.147 1.00 0.00 C ATOM 706 O GLY A 132 -9.290 4.947 13.275 1.00 0.00 O ATOM 0 H GLY A 132 -9.591 3.938 9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -9.582 5.723 10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -10.919 5.007 11.333 1.00 0.00 H new ATOM 710 N LYS A 133 -7.876 3.882 11.885 1.00 0.00 N ATOM 711 CA LYS A 133 -6.912 3.564 12.930 1.00 0.00 C ATOM 712 C LYS A 133 -5.716 4.509 12.868 1.00 0.00 C ATOM 713 O LYS A 133 -5.783 5.571 12.250 1.00 0.00 O ATOM 714 CB LYS A 133 -6.446 2.111 12.792 1.00 0.00 C ATOM 715 CG LYS A 133 -6.387 1.363 14.114 1.00 0.00 C ATOM 716 CD LYS A 133 -6.589 -0.131 13.920 1.00 0.00 C ATOM 717 CE LYS A 133 -5.945 -0.931 15.042 1.00 0.00 C ATOM 718 NZ LYS A 133 -5.631 -2.324 14.621 1.00 0.00 N ATOM 0 H LYS A 133 -7.617 3.548 10.957 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.398 3.690 13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -7.120 1.585 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.458 2.097 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -5.423 1.542 14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.153 1.750 14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.655 -0.353 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.163 -0.436 12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -5.030 -0.434 15.363 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -6.614 -0.954 15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -5.194 -2.836 15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -6.508 -2.807 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -4.972 -2.303 13.816 1.00 0.00 H new ATOM 732 N VAL A 134 -4.621 4.119 13.513 1.00 0.00 N ATOM 733 CA VAL A 134 -3.412 4.931 13.531 1.00 0.00 C ATOM 734 C VAL A 134 -2.176 4.084 13.254 1.00 0.00 C ATOM 735 O VAL A 134 -2.078 2.945 13.709 1.00 0.00 O ATOM 736 CB VAL A 134 -3.236 5.648 14.882 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.115 6.672 14.802 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.538 6.307 15.312 1.00 0.00 C ATOM 0 H VAL A 134 -4.547 3.243 14.031 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.522 5.677 12.744 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.966 4.905 15.633 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.006 7.168 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.182 6.171 14.544 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.352 7.412 14.038 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.393 6.808 16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.841 7.037 14.562 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.314 5.548 15.414 1.00 0.00 H new ATOM 748 N PHE A 135 -1.233 4.647 12.505 1.00 0.00 N ATOM 749 CA PHE A 135 0.000 3.944 12.169 1.00 0.00 C ATOM 750 C PHE A 135 1.218 4.812 12.461 1.00 0.00 C ATOM 751 O PHE A 135 1.102 6.027 12.625 1.00 0.00 O ATOM 752 CB PHE A 135 -0.003 3.535 10.694 1.00 0.00 C ATOM 753 CG PHE A 135 -1.303 2.941 10.231 1.00 0.00 C ATOM 754 CD1 PHE A 135 -1.963 1.996 11.001 1.00 0.00 C ATOM 755 CD2 PHE A 135 -1.865 3.328 9.025 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.159 1.448 10.576 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.060 2.785 8.596 1.00 0.00 C ATOM 758 CZ PHE A 135 -3.708 1.844 9.372 1.00 0.00 C ATOM 0 H PHE A 135 -1.299 5.589 12.119 1.00 0.00 H new ATOM 0 HA PHE A 135 0.055 3.048 12.788 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.224 4.409 10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.796 2.813 10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.538 1.684 11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.363 4.063 8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.663 0.712 11.184 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.488 3.096 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.643 1.418 9.038 1.00 0.00 H new ATOM 768 N HIS A 136 2.387 4.182 12.523 1.00 0.00 N ATOM 769 CA HIS A 136 3.629 4.898 12.793 1.00 0.00 C ATOM 770 C HIS A 136 4.282 5.357 11.493 1.00 0.00 C ATOM 771 O HIS A 136 3.776 5.088 10.403 1.00 0.00 O ATOM 772 CB HIS A 136 4.595 4.007 13.578 1.00 0.00 C ATOM 773 CG HIS A 136 4.598 4.280 15.050 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.475 5.159 15.650 1.00 0.00 N ATOM 775 CD2 HIS A 136 3.824 3.787 16.045 1.00 0.00 C ATOM 776 CE1 HIS A 136 5.242 5.192 16.950 1.00 0.00 C ATOM 777 NE2 HIS A 136 4.245 4.369 17.215 1.00 0.00 N ATOM 0 H HIS A 136 2.500 3.177 12.390 1.00 0.00 H new ATOM 0 HA HIS A 136 3.392 5.778 13.391 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.331 2.963 13.411 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.603 4.147 13.189 1.00 0.00 H new ATOM 0 HD2 HIS A 136 3.024 3.069 15.938 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.776 5.791 17.673 1.00 0.00 H new ATOM 0 HE2 HIS A 136 3.851 4.194 18.139 1.00 0.00 H new ATOM 786 N HIS A 137 5.409 6.051 11.616 1.00 0.00 N ATOM 787 CA HIS A 137 6.131 6.547 10.450 1.00 0.00 C ATOM 788 C HIS A 137 6.583 5.393 9.561 1.00 0.00 C ATOM 789 O HIS A 137 6.255 5.345 8.375 1.00 0.00 O ATOM 790 CB HIS A 137 7.341 7.374 10.887 1.00 0.00 C ATOM 791 CG HIS A 137 8.032 8.068 9.754 1.00 0.00 C ATOM 792 ND1 HIS A 137 7.357 8.767 8.775 1.00 0.00 N ATOM 793 CD2 HIS A 137 9.347 8.167 9.445 1.00 0.00 C ATOM 794 CE1 HIS A 137 8.227 9.265 7.915 1.00 0.00 C ATOM 795 NE2 HIS A 137 9.440 8.916 8.298 1.00 0.00 N ATOM 0 H HIS A 137 5.842 6.282 12.510 1.00 0.00 H new ATOM 0 HA HIS A 137 5.455 7.181 9.877 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.018 8.118 11.616 1.00 0.00 H new ATOM 0 HB3 HIS A 137 8.054 6.722 11.392 1.00 0.00 H new ATOM 0 HD2 HIS A 137 10.169 7.737 9.998 1.00 0.00 H new ATOM 0 HE1 HIS A 137 7.986 9.858 7.045 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.307 9.163 7.820 1.00 0.00 H new ATOM 804 N VAL A 138 7.335 4.464 10.142 1.00 0.00 N ATOM 805 CA VAL A 138 7.830 3.309 9.403 1.00 0.00 C ATOM 806 C VAL A 138 6.677 2.446 8.902 1.00 0.00 C ATOM 807 O VAL A 138 6.749 1.865 7.819 1.00 0.00 O ATOM 808 CB VAL A 138 8.766 2.445 10.270 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.397 1.337 9.437 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.837 3.305 10.923 1.00 0.00 C ATOM 0 H VAL A 138 7.615 4.489 11.123 1.00 0.00 H new ATOM 0 HA VAL A 138 8.391 3.693 8.551 1.00 0.00 H new ATOM 0 HB VAL A 138 8.173 1.982 11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 138 10.055 0.738 10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.614 0.702 9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 138 9.975 1.777 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.488 2.676 11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.427 3.799 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 138 9.365 4.057 11.555 1.00 0.00 H new ATOM 820 N GLN A 139 5.614 2.369 9.696 1.00 0.00 N ATOM 821 CA GLN A 139 4.444 1.578 9.332 1.00 0.00 C ATOM 822 C GLN A 139 3.793 2.126 8.068 1.00 0.00 C ATOM 823 O GLN A 139 3.455 1.375 7.153 1.00 0.00 O ATOM 824 CB GLN A 139 3.433 1.564 10.482 1.00 0.00 C ATOM 825 CG GLN A 139 3.323 0.218 11.178 1.00 0.00 C ATOM 826 CD GLN A 139 4.654 -0.269 11.718 1.00 0.00 C ATOM 827 OE1 GLN A 139 5.293 -1.142 11.132 1.00 0.00 O ATOM 828 NE2 GLN A 139 5.077 0.294 12.843 1.00 0.00 N ATOM 0 H GLN A 139 5.539 2.844 10.595 1.00 0.00 H new ATOM 0 HA GLN A 139 4.770 0.557 9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 139 3.717 2.320 11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.453 1.846 10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 139 2.608 0.294 11.998 1.00 0.00 H new ATOM 0 HG3 GLN A 139 2.928 -0.518 10.478 1.00 0.00 H new ATOM 0 HE21 GLN A 139 4.515 1.015 13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 139 5.965 0.006 13.255 1.00 0.00 H new ATOM 837 N TRP A 140 3.625 3.441 8.025 1.00 0.00 N ATOM 838 CA TRP A 140 3.018 4.099 6.873 1.00 0.00 C ATOM 839 C TRP A 140 3.871 3.892 5.627 1.00 0.00 C ATOM 840 O TRP A 140 3.351 3.697 4.528 1.00 0.00 O ATOM 841 CB TRP A 140 2.846 5.594 7.144 1.00 0.00 C ATOM 842 CG TRP A 140 1.667 6.193 6.442 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.387 6.271 6.911 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.657 6.798 5.144 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.418 6.887 5.983 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.338 7.220 4.890 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.636 7.024 4.172 1.00 0.00 C ATOM 848 CZ2 TRP A 140 -0.025 7.855 3.705 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.274 7.654 2.996 1.00 0.00 C ATOM 850 CH2 TRP A 140 0.953 8.064 2.772 1.00 0.00 C ATOM 0 H TRP A 140 3.901 4.075 8.775 1.00 0.00 H new ATOM 0 HA TRP A 140 2.037 3.655 6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.739 5.751 8.217 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.750 6.118 6.833 1.00 0.00 H new ATOM 0 HD1 TRP A 140 0.056 5.903 7.871 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.416 7.067 6.091 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.657 6.712 4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.043 8.171 3.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.022 7.833 2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.702 8.555 1.844 1.00 0.00 H new ATOM 861 N GLN A 141 5.187 3.935 5.807 1.00 0.00 N ATOM 862 CA GLN A 141 6.120 3.751 4.702 1.00 0.00 C ATOM 863 C GLN A 141 5.961 2.367 4.083 1.00 0.00 C ATOM 864 O GLN A 141 5.793 2.232 2.871 1.00 0.00 O ATOM 865 CB GLN A 141 7.558 3.947 5.190 1.00 0.00 C ATOM 866 CG GLN A 141 8.607 3.692 4.121 1.00 0.00 C ATOM 867 CD GLN A 141 10.020 3.886 4.635 1.00 0.00 C ATOM 868 OE1 GLN A 141 10.882 3.025 4.454 1.00 0.00 O ATOM 869 NE2 GLN A 141 10.265 5.020 5.282 1.00 0.00 N ATOM 0 H GLN A 141 5.632 4.096 6.710 1.00 0.00 H new ATOM 0 HA GLN A 141 5.898 4.496 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 141 7.671 4.966 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.741 3.279 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 141 8.497 2.675 3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.435 4.364 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 141 9.521 5.706 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.197 5.205 5.652 1.00 0.00 H new ATOM 878 N GLN A 142 6.021 1.338 4.923 1.00 0.00 N ATOM 879 CA GLN A 142 5.887 -0.038 4.461 1.00 0.00 C ATOM 880 C GLN A 142 4.488 -0.301 3.914 1.00 0.00 C ATOM 881 O GLN A 142 4.307 -1.124 3.018 1.00 0.00 O ATOM 882 CB GLN A 142 6.191 -1.012 5.600 1.00 0.00 C ATOM 883 CG GLN A 142 5.264 -0.857 6.795 1.00 0.00 C ATOM 884 CD GLN A 142 5.318 -2.048 7.731 1.00 0.00 C ATOM 885 OE1 GLN A 142 6.393 -2.557 8.048 1.00 0.00 O ATOM 886 NE2 GLN A 142 4.152 -2.501 8.180 1.00 0.00 N ATOM 0 H GLN A 142 6.162 1.432 5.929 1.00 0.00 H new ATOM 0 HA GLN A 142 6.605 -0.192 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 142 6.118 -2.032 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 142 7.220 -0.866 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 142 5.533 0.045 7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 142 4.241 -0.722 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 142 3.284 -2.049 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 142 4.125 -3.301 8.813 1.00 0.00 H new ATOM 895 N LYS A 143 3.500 0.401 4.459 1.00 0.00 N ATOM 896 CA LYS A 143 2.118 0.239 4.023 1.00 0.00 C ATOM 897 C LYS A 143 1.962 0.610 2.551 1.00 0.00 C ATOM 898 O LYS A 143 1.462 -0.181 1.750 1.00 0.00 O ATOM 899 CB LYS A 143 1.186 1.098 4.883 1.00 0.00 C ATOM 900 CG LYS A 143 0.021 0.323 5.478 1.00 0.00 C ATOM 901 CD LYS A 143 0.285 -0.055 6.926 1.00 0.00 C ATOM 902 CE LYS A 143 -0.427 -1.343 7.304 1.00 0.00 C ATOM 903 NZ LYS A 143 -0.095 -1.776 8.690 1.00 0.00 N ATOM 0 H LYS A 143 3.630 1.087 5.203 1.00 0.00 H new ATOM 0 HA LYS A 143 1.846 -0.810 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.763 1.548 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 143 0.796 1.915 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -0.886 0.924 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -0.155 -0.579 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 143 1.357 -0.171 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -0.047 0.751 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -1.504 -1.201 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -0.151 -2.130 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -0.601 -2.658 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 0.930 -1.936 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -0.382 -1.037 9.363 1.00 0.00 H new ATOM 917 N LEU A 144 2.395 1.817 2.200 1.00 0.00 N ATOM 918 CA LEU A 144 2.303 2.290 0.825 1.00 0.00 C ATOM 919 C LEU A 144 3.224 1.489 -0.090 1.00 0.00 C ATOM 920 O LEU A 144 2.843 1.121 -1.202 1.00 0.00 O ATOM 921 CB LEU A 144 2.655 3.779 0.752 1.00 0.00 C ATOM 922 CG LEU A 144 1.685 4.630 -0.074 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.881 5.555 0.827 1.00 0.00 C ATOM 924 CD2 LEU A 144 2.437 5.431 -1.127 1.00 0.00 C ATOM 0 H LEU A 144 2.813 2.484 2.849 1.00 0.00 H new ATOM 0 HA LEU A 144 1.277 2.150 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.694 4.179 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.655 3.881 0.330 1.00 0.00 H new ATOM 0 HG LEU A 144 0.992 3.960 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.198 6.150 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.309 4.961 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.559 6.217 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.730 6.029 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 144 3.156 6.089 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 144 2.964 4.750 -1.795 1.00 0.00 H new ATOM 936 N ALA A 145 4.436 1.221 0.384 1.00 0.00 N ATOM 937 CA ALA A 145 5.408 0.463 -0.393 1.00 0.00 C ATOM 938 C ALA A 145 4.893 -0.939 -0.696 1.00 0.00 C ATOM 939 O ALA A 145 4.907 -1.382 -1.845 1.00 0.00 O ATOM 940 CB ALA A 145 6.738 0.396 0.347 1.00 0.00 C ATOM 0 H ALA A 145 4.768 1.517 1.302 1.00 0.00 H new ATOM 0 HA ALA A 145 5.561 0.977 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.455 -0.173 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.118 1.405 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.594 -0.092 1.311 1.00 0.00 H new ATOM 946 N ARG A 146 4.438 -1.634 0.341 1.00 0.00 N ATOM 947 CA ARG A 146 3.917 -2.986 0.183 1.00 0.00 C ATOM 948 C ARG A 146 2.698 -2.992 -0.733 1.00 0.00 C ATOM 949 O ARG A 146 2.461 -3.956 -1.460 1.00 0.00 O ATOM 950 CB ARG A 146 3.547 -3.577 1.545 1.00 0.00 C ATOM 951 CG ARG A 146 4.730 -4.170 2.293 1.00 0.00 C ATOM 952 CD ARG A 146 4.289 -5.257 3.262 1.00 0.00 C ATOM 953 NE ARG A 146 5.176 -6.417 3.224 1.00 0.00 N ATOM 954 CZ ARG A 146 5.130 -7.355 2.282 1.00 0.00 C ATOM 955 NH1 ARG A 146 4.243 -7.275 1.298 1.00 0.00 N ATOM 956 NH2 ARG A 146 5.973 -8.378 2.323 1.00 0.00 N ATOM 0 H ARG A 146 4.420 -1.284 1.299 1.00 0.00 H new ATOM 0 HA ARG A 146 4.696 -3.599 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 146 3.093 -2.798 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 146 2.793 -4.351 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.442 -4.584 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.248 -3.382 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.264 -4.852 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 146 3.273 -5.569 3.019 1.00 0.00 H new ATOM 0 HE ARG A 146 5.872 -6.513 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 146 3.592 -6.491 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 146 4.213 -7.997 0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 146 6.657 -8.446 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 146 5.938 -9.097 1.601 1.00 0.00 H new ATOM 970 N SER A 147 1.927 -1.910 -0.692 1.00 0.00 N ATOM 971 CA SER A 147 0.732 -1.794 -1.519 1.00 0.00 C ATOM 972 C SER A 147 1.096 -1.757 -2.999 1.00 0.00 C ATOM 973 O SER A 147 0.567 -2.530 -3.798 1.00 0.00 O ATOM 974 CB SER A 147 -0.054 -0.536 -1.143 1.00 0.00 C ATOM 975 OG SER A 147 -1.435 -0.697 -1.416 1.00 0.00 O ATOM 0 H SER A 147 2.108 -1.102 -0.096 1.00 0.00 H new ATOM 0 HA SER A 147 0.109 -2.670 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.088 -0.318 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.333 0.318 -1.699 1.00 0.00 H new ATOM 0 HG SER A 147 -1.914 0.123 -1.175 1.00 0.00 H new ATOM 981 N LEU A 148 2.003 -0.855 -3.360 1.00 0.00 N ATOM 982 CA LEU A 148 2.437 -0.721 -4.745 1.00 0.00 C ATOM 983 C LEU A 148 3.110 -2.002 -5.229 1.00 0.00 C ATOM 984 O LEU A 148 3.057 -2.333 -6.414 1.00 0.00 O ATOM 985 CB LEU A 148 3.397 0.461 -4.890 1.00 0.00 C ATOM 986 CG LEU A 148 2.725 1.831 -5.003 1.00 0.00 C ATOM 987 CD1 LEU A 148 3.649 2.924 -4.489 1.00 0.00 C ATOM 988 CD2 LEU A 148 2.320 2.106 -6.443 1.00 0.00 C ATOM 0 H LEU A 148 2.451 -0.207 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 148 1.556 -0.540 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.068 0.472 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 148 4.014 0.302 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 148 1.826 1.826 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 148 3.153 3.891 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.890 2.734 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 148 4.566 2.931 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 148 1.843 3.084 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.205 2.092 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 148 1.621 1.339 -6.777 1.00 0.00 H new ATOM 1000 N GLN A 149 3.741 -2.719 -4.305 1.00 0.00 N ATOM 1001 CA GLN A 149 4.423 -3.964 -4.637 1.00 0.00 C ATOM 1002 C GLN A 149 3.427 -5.025 -5.092 1.00 0.00 C ATOM 1003 O GLN A 149 3.531 -5.555 -6.199 1.00 0.00 O ATOM 1004 CB GLN A 149 5.213 -4.474 -3.431 1.00 0.00 C ATOM 1005 CG GLN A 149 6.648 -3.970 -3.387 1.00 0.00 C ATOM 1006 CD GLN A 149 7.561 -4.882 -2.591 1.00 0.00 C ATOM 1007 OE1 GLN A 149 8.404 -5.581 -3.155 1.00 0.00 O ATOM 1008 NE2 GLN A 149 7.398 -4.879 -1.274 1.00 0.00 N ATOM 0 H GLN A 149 3.794 -2.459 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 149 5.113 -3.764 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 149 4.702 -4.171 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 149 5.220 -5.564 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 149 7.029 -3.879 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 149 6.666 -2.972 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 149 6.687 -4.284 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 149 7.984 -5.472 -0.686 1.00 0.00 H new ATOM 1017 N ILE A 150 2.460 -5.330 -4.233 1.00 0.00 N ATOM 1018 CA ILE A 150 1.443 -6.327 -4.549 1.00 0.00 C ATOM 1019 C ILE A 150 0.569 -5.877 -5.716 1.00 0.00 C ATOM 1020 O ILE A 150 -0.059 -6.697 -6.385 1.00 0.00 O ATOM 1021 CB ILE A 150 0.545 -6.621 -3.332 1.00 0.00 C ATOM 1022 CG1 ILE A 150 1.399 -6.946 -2.105 1.00 0.00 C ATOM 1023 CG2 ILE A 150 -0.407 -7.769 -3.638 1.00 0.00 C ATOM 1024 CD1 ILE A 150 2.342 -8.110 -2.316 1.00 0.00 C ATOM 0 H ILE A 150 2.359 -4.901 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 150 1.973 -7.238 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.046 -5.731 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.979 -6.064 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.742 -7.169 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -1.034 -7.964 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -1.037 -7.503 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 150 0.167 -8.664 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.915 -8.283 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.768 -9.004 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.023 -7.882 -3.136 1.00 0.00 H new ATOM 1036 N GLY A 151 0.536 -4.571 -5.954 1.00 0.00 N ATOM 1037 CA GLY A 151 -0.262 -4.035 -7.040 1.00 0.00 C ATOM 1038 C GLY A 151 0.430 -4.159 -8.384 1.00 0.00 C ATOM 1039 O GLY A 151 -0.191 -4.535 -9.376 1.00 0.00 O ATOM 0 H GLY A 151 1.048 -3.874 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -1.218 -4.558 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.480 -2.986 -6.843 1.00 0.00 H new