USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=9 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 Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -164:sc= -0.133 (180deg=-0.754) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.061) USER MOD Single : A 117 THR OG1 : rot 173:sc= -1.31 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00535 USER MOD Single : A 123 SER OG : rot 94:sc= 0.101 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.6!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.683 F(o=-2.1,f=-0.68) USER MOD Single : A 139 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 141 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.014) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 143 LYS NZ :NH3+ 157:sc= -0.015 (180deg=-0.28) USER MOD Single : A 147 SER OG : rot 98:sc= 1.25 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.298 7.387 17.598 1.00 0.00 N ATOM 2 CA MET A 88 1.801 7.128 16.221 1.00 0.00 C ATOM 3 C MET A 88 1.623 8.429 15.446 1.00 0.00 C ATOM 4 O MET A 88 2.031 9.496 15.903 1.00 0.00 O ATOM 5 CB MET A 88 0.469 6.382 16.314 1.00 0.00 C ATOM 6 CG MET A 88 0.494 5.206 17.278 1.00 0.00 C ATOM 7 SD MET A 88 -1.158 4.633 17.716 1.00 0.00 S ATOM 8 CE MET A 88 -1.032 2.893 17.309 1.00 0.00 C ATOM 0 HA MET A 88 2.533 6.524 15.685 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.308 7.080 16.626 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.194 6.022 15.323 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.052 4.385 16.829 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.026 5.495 18.184 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.979 2.399 17.526 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.799 2.783 16.250 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.241 2.437 17.904 1.00 0.00 H new ATOM 20 N PHE A 89 1.012 8.332 14.269 1.00 0.00 N ATOM 21 CA PHE A 89 0.781 9.504 13.430 1.00 0.00 C ATOM 22 C PHE A 89 -0.384 9.269 12.475 1.00 0.00 C ATOM 23 O PHE A 89 -0.221 8.654 11.420 1.00 0.00 O ATOM 24 CB PHE A 89 2.044 9.847 12.640 1.00 0.00 C ATOM 25 CG PHE A 89 3.058 10.620 13.434 1.00 0.00 C ATOM 26 CD1 PHE A 89 2.909 11.982 13.633 1.00 0.00 C ATOM 27 CD2 PHE A 89 4.160 9.983 13.981 1.00 0.00 C ATOM 28 CE1 PHE A 89 3.841 12.697 14.363 1.00 0.00 C ATOM 29 CE2 PHE A 89 5.095 10.691 14.713 1.00 0.00 C ATOM 30 CZ PHE A 89 4.935 12.050 14.904 1.00 0.00 C ATOM 0 H PHE A 89 0.668 7.456 13.875 1.00 0.00 H new ATOM 0 HA PHE A 89 0.529 10.342 14.080 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.501 8.924 12.283 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.766 10.426 11.760 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.055 12.492 13.213 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.290 8.921 13.834 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.714 13.759 14.510 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.949 10.183 15.135 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.664 12.605 15.475 1.00 0.00 H new ATOM 40 N ALA A 90 -1.559 9.763 12.849 1.00 0.00 N ATOM 41 CA ALA A 90 -2.752 9.610 12.028 1.00 0.00 C ATOM 42 C ALA A 90 -2.758 10.613 10.880 1.00 0.00 C ATOM 43 O ALA A 90 -1.834 11.412 10.735 1.00 0.00 O ATOM 44 CB ALA A 90 -4.003 9.770 12.880 1.00 0.00 C ATOM 0 H ALA A 90 -1.710 10.274 13.719 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.744 8.608 11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.887 9.653 12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.010 9.011 13.662 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.009 10.760 13.335 1.00 0.00 H new ATOM 50 N MET A 91 -3.807 10.564 10.068 1.00 0.00 N ATOM 51 CA MET A 91 -3.936 11.466 8.930 1.00 0.00 C ATOM 52 C MET A 91 -5.376 11.505 8.426 1.00 0.00 C ATOM 53 O MET A 91 -6.281 10.963 9.059 1.00 0.00 O ATOM 54 CB MET A 91 -2.994 11.034 7.805 1.00 0.00 C ATOM 55 CG MET A 91 -1.737 11.883 7.705 1.00 0.00 C ATOM 56 SD MET A 91 -0.779 11.533 6.218 1.00 0.00 S ATOM 57 CE MET A 91 -0.509 9.771 6.397 1.00 0.00 C ATOM 0 H MET A 91 -4.581 9.909 10.176 1.00 0.00 H new ATOM 0 HA MET A 91 -3.662 12.469 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.708 9.994 7.961 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.529 11.079 6.857 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.014 12.937 7.715 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.115 11.709 8.583 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.291 9.456 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.229 9.549 7.427 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.424 9.235 6.146 1.00 0.00 H new ATOM 67 N TYR A 92 -5.578 12.146 7.279 1.00 0.00 N ATOM 68 CA TYR A 92 -6.905 12.253 6.683 1.00 0.00 C ATOM 69 C TYR A 92 -6.896 11.684 5.269 1.00 0.00 C ATOM 70 O TYR A 92 -5.834 11.504 4.680 1.00 0.00 O ATOM 71 CB TYR A 92 -7.370 13.712 6.659 1.00 0.00 C ATOM 72 CG TYR A 92 -6.254 14.708 6.427 1.00 0.00 C ATOM 73 CD1 TYR A 92 -5.535 14.710 5.238 1.00 0.00 C ATOM 74 CD2 TYR A 92 -5.921 15.644 7.397 1.00 0.00 C ATOM 75 CE1 TYR A 92 -4.515 15.618 5.023 1.00 0.00 C ATOM 76 CE2 TYR A 92 -4.902 16.555 7.190 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.203 16.538 6.002 1.00 0.00 C ATOM 78 OH TYR A 92 -3.189 17.443 5.792 1.00 0.00 O ATOM 0 H TYR A 92 -4.838 12.600 6.743 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.602 11.677 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.119 13.832 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.859 13.943 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.777 13.991 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.467 15.661 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.965 15.607 4.093 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.655 17.276 7.955 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.098 18.021 6.578 1.00 0.00 H new ATOM 88 N PRO A 93 -8.078 11.385 4.705 1.00 0.00 N ATOM 89 CA PRO A 93 -8.191 10.825 3.359 1.00 0.00 C ATOM 90 C PRO A 93 -8.198 11.891 2.264 1.00 0.00 C ATOM 91 O PRO A 93 -8.681 11.648 1.159 1.00 0.00 O ATOM 92 CB PRO A 93 -9.537 10.110 3.415 1.00 0.00 C ATOM 93 CG PRO A 93 -10.359 10.933 4.351 1.00 0.00 C ATOM 94 CD PRO A 93 -9.399 11.554 5.340 1.00 0.00 C ATOM 0 HA PRO A 93 -7.345 10.186 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.997 10.052 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.428 9.087 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.908 11.703 3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.097 10.316 4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.628 12.606 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.444 11.055 6.308 1.00 0.00 H new ATOM 102 N ASP A 94 -7.666 13.070 2.574 1.00 0.00 N ATOM 103 CA ASP A 94 -7.622 14.163 1.607 1.00 0.00 C ATOM 104 C ASP A 94 -6.186 14.491 1.200 1.00 0.00 C ATOM 105 O ASP A 94 -5.885 15.623 0.822 1.00 0.00 O ATOM 106 CB ASP A 94 -8.298 15.409 2.186 1.00 0.00 C ATOM 107 CG ASP A 94 -9.676 15.643 1.598 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.591 14.847 1.898 1.00 0.00 O ATOM 109 OD2 ASP A 94 -9.840 16.621 0.840 1.00 0.00 O ATOM 0 H ASP A 94 -7.261 13.293 3.483 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.161 13.841 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.380 15.305 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.672 16.281 1.996 1.00 0.00 H new ATOM 114 N TRP A 95 -5.301 13.499 1.274 1.00 0.00 N ATOM 115 CA TRP A 95 -3.906 13.700 0.909 1.00 0.00 C ATOM 116 C TRP A 95 -3.743 13.738 -0.607 1.00 0.00 C ATOM 117 O TRP A 95 -4.142 12.808 -1.309 1.00 0.00 O ATOM 118 CB TRP A 95 -3.034 12.593 1.503 1.00 0.00 C ATOM 119 CG TRP A 95 -3.589 11.216 1.312 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.369 10.520 2.189 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.401 10.362 0.178 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.685 9.289 1.669 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.102 9.167 0.435 1.00 0.00 C ATOM 124 CE3 TRP A 95 -2.713 10.490 -1.032 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.131 8.111 -0.473 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -2.743 9.441 -1.931 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.448 8.265 -1.647 1.00 0.00 C ATOM 0 H TRP A 95 -5.526 12.553 1.582 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.584 14.659 1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.044 12.641 1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -2.906 12.778 2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.691 10.885 3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.260 8.581 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.167 11.394 -1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.674 7.203 -0.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.214 9.530 -2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.452 7.463 -2.370 1.00 0.00 H new ATOM 138 N GLN A 96 -3.153 14.820 -1.105 1.00 0.00 N ATOM 139 CA GLN A 96 -2.937 14.983 -2.538 1.00 0.00 C ATOM 140 C GLN A 96 -1.516 14.572 -2.925 1.00 0.00 C ATOM 141 O GLN A 96 -0.560 15.301 -2.662 1.00 0.00 O ATOM 142 CB GLN A 96 -3.188 16.435 -2.949 1.00 0.00 C ATOM 143 CG GLN A 96 -4.587 16.927 -2.619 1.00 0.00 C ATOM 144 CD GLN A 96 -5.668 16.107 -3.297 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.546 15.551 -2.637 1.00 0.00 O ATOM 146 NE2 GLN A 96 -5.607 16.028 -4.621 1.00 0.00 N ATOM 0 H GLN A 96 -2.816 15.597 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.640 14.336 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.460 17.076 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.020 16.535 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.735 16.894 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.683 17.970 -2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.861 16.506 -5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.306 15.490 -5.133 1.00 0.00 H new ATOM 155 N PRO A 97 -1.357 13.395 -3.559 1.00 0.00 N ATOM 156 CA PRO A 97 -0.043 12.898 -3.977 1.00 0.00 C ATOM 157 C PRO A 97 0.513 13.662 -5.173 1.00 0.00 C ATOM 158 O PRO A 97 -0.235 14.079 -6.057 1.00 0.00 O ATOM 159 CB PRO A 97 -0.321 11.444 -4.356 1.00 0.00 C ATOM 160 CG PRO A 97 -1.749 11.434 -4.776 1.00 0.00 C ATOM 161 CD PRO A 97 -2.441 12.457 -3.915 1.00 0.00 C ATOM 0 HA PRO A 97 0.705 13.015 -3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.332 11.112 -5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.151 10.775 -3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.847 11.683 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.189 10.446 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.245 12.958 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.886 12.002 -3.030 1.00 0.00 H new ATOM 169 N ASP A 98 1.830 13.841 -5.196 1.00 0.00 N ATOM 170 CA ASP A 98 2.487 14.553 -6.287 1.00 0.00 C ATOM 171 C ASP A 98 4.001 14.575 -6.089 1.00 0.00 C ATOM 172 O ASP A 98 4.729 13.814 -6.726 1.00 0.00 O ATOM 173 CB ASP A 98 1.946 15.982 -6.393 1.00 0.00 C ATOM 174 CG ASP A 98 2.603 16.771 -7.509 1.00 0.00 C ATOM 175 OD1 ASP A 98 2.134 16.671 -8.662 1.00 0.00 O ATOM 176 OD2 ASP A 98 3.587 17.487 -7.230 1.00 0.00 O ATOM 0 H ASP A 98 2.463 13.503 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 98 2.271 14.025 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.870 15.948 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.104 16.498 -5.446 1.00 0.00 H new ATOM 181 N ALA A 99 4.469 15.450 -5.205 1.00 0.00 N ATOM 182 CA ALA A 99 5.896 15.568 -4.928 1.00 0.00 C ATOM 183 C ALA A 99 6.327 14.606 -3.827 1.00 0.00 C ATOM 184 O ALA A 99 7.291 13.857 -3.984 1.00 0.00 O ATOM 185 CB ALA A 99 6.241 16.999 -4.543 1.00 0.00 C ATOM 0 H ALA A 99 3.881 16.088 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 99 6.438 15.304 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.309 17.073 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.981 17.669 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.681 17.281 -3.652 1.00 0.00 H new ATOM 191 N ASP A 100 5.607 14.634 -2.709 1.00 0.00 N ATOM 192 CA ASP A 100 5.914 13.767 -1.575 1.00 0.00 C ATOM 193 C ASP A 100 5.929 12.299 -1.991 1.00 0.00 C ATOM 194 O ASP A 100 6.666 11.492 -1.427 1.00 0.00 O ATOM 195 CB ASP A 100 4.893 13.981 -0.455 1.00 0.00 C ATOM 196 CG ASP A 100 5.350 15.018 0.552 1.00 0.00 C ATOM 197 OD1 ASP A 100 5.541 16.187 0.156 1.00 0.00 O ATOM 198 OD2 ASP A 100 5.518 14.661 1.737 1.00 0.00 O ATOM 0 H ASP A 100 4.806 15.248 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 100 6.908 14.029 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.943 14.293 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.715 13.035 0.057 1.00 0.00 H new ATOM 203 N PHE A 101 5.107 11.958 -2.980 1.00 0.00 N ATOM 204 CA PHE A 101 5.028 10.586 -3.466 1.00 0.00 C ATOM 205 C PHE A 101 6.363 10.134 -4.050 1.00 0.00 C ATOM 206 O PHE A 101 6.845 9.043 -3.748 1.00 0.00 O ATOM 207 CB PHE A 101 3.928 10.459 -4.522 1.00 0.00 C ATOM 208 CG PHE A 101 3.376 9.068 -4.644 1.00 0.00 C ATOM 209 CD1 PHE A 101 4.202 8.007 -4.979 1.00 0.00 C ATOM 210 CD2 PHE A 101 2.030 8.821 -4.424 1.00 0.00 C ATOM 211 CE1 PHE A 101 3.697 6.726 -5.090 1.00 0.00 C ATOM 212 CE2 PHE A 101 1.519 7.542 -4.535 1.00 0.00 C ATOM 213 CZ PHE A 101 2.354 6.493 -4.869 1.00 0.00 C ATOM 0 H PHE A 101 4.488 12.612 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 101 4.787 9.943 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.117 11.143 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.325 10.771 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.253 8.184 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.373 9.638 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.352 5.907 -5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.468 7.362 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.957 5.493 -4.957 1.00 0.00 H new ATOM 223 N ILE A 102 6.954 10.980 -4.887 1.00 0.00 N ATOM 224 CA ILE A 102 8.233 10.667 -5.513 1.00 0.00 C ATOM 225 C ILE A 102 9.379 10.798 -4.516 1.00 0.00 C ATOM 226 O ILE A 102 10.306 9.987 -4.511 1.00 0.00 O ATOM 227 CB ILE A 102 8.508 11.586 -6.719 1.00 0.00 C ATOM 228 CG1 ILE A 102 7.299 11.610 -7.655 1.00 0.00 C ATOM 229 CG2 ILE A 102 9.753 11.126 -7.463 1.00 0.00 C ATOM 230 CD1 ILE A 102 7.402 12.651 -8.749 1.00 0.00 C ATOM 0 H ILE A 102 6.568 11.887 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 102 8.172 9.635 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 102 8.681 12.598 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.183 10.626 -8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.400 11.798 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.934 11.785 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.611 11.156 -6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.608 10.106 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.510 12.611 -9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.488 13.641 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.283 12.451 -9.360 1.00 0.00 H new ATOM 242 N ARG A 103 9.308 11.822 -3.673 1.00 0.00 N ATOM 243 CA ARG A 103 10.341 12.058 -2.671 1.00 0.00 C ATOM 244 C ARG A 103 10.422 10.894 -1.687 1.00 0.00 C ATOM 245 O ARG A 103 11.490 10.322 -1.474 1.00 0.00 O ATOM 246 CB ARG A 103 10.062 13.364 -1.920 1.00 0.00 C ATOM 247 CG ARG A 103 11.137 14.421 -2.123 1.00 0.00 C ATOM 248 CD ARG A 103 11.871 14.729 -0.828 1.00 0.00 C ATOM 249 NE ARG A 103 11.414 15.978 -0.222 1.00 0.00 N ATOM 250 CZ ARG A 103 11.798 17.184 -0.629 1.00 0.00 C ATOM 251 NH1 ARG A 103 12.645 17.312 -1.645 1.00 0.00 N ATOM 252 NH2 ARG A 103 11.335 18.268 -0.022 1.00 0.00 N ATOM 0 H ARG A 103 8.547 12.501 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 103 11.299 12.140 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.103 13.765 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.971 13.149 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.849 14.077 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.683 15.333 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.724 13.910 -0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.941 14.792 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 103 10.761 15.921 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.004 16.482 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.936 18.240 -1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.684 18.177 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.630 19.193 -0.335 1.00 0.00 H new ATOM 266 N LEU A 104 9.285 10.552 -1.090 1.00 0.00 N ATOM 267 CA LEU A 104 9.227 9.456 -0.129 1.00 0.00 C ATOM 268 C LEU A 104 9.523 8.121 -0.805 1.00 0.00 C ATOM 269 O LEU A 104 10.287 7.308 -0.286 1.00 0.00 O ATOM 270 CB LEU A 104 7.851 9.407 0.539 1.00 0.00 C ATOM 271 CG LEU A 104 7.668 10.368 1.715 1.00 0.00 C ATOM 272 CD1 LEU A 104 6.234 10.325 2.218 1.00 0.00 C ATOM 273 CD2 LEU A 104 8.638 10.027 2.835 1.00 0.00 C ATOM 0 H LEU A 104 8.392 11.017 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 104 9.987 9.634 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.092 9.626 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.670 8.391 0.888 1.00 0.00 H new ATOM 0 HG LEU A 104 7.881 11.380 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.121 11.014 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.558 10.616 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.994 9.314 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.495 10.720 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.455 9.009 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.661 10.107 2.467 1.00 0.00 H new ATOM 285 N ALA A 105 8.913 7.904 -1.965 1.00 0.00 N ATOM 286 CA ALA A 105 9.110 6.666 -2.712 1.00 0.00 C ATOM 287 C ALA A 105 10.574 6.487 -3.101 1.00 0.00 C ATOM 288 O ALA A 105 11.129 5.395 -2.979 1.00 0.00 O ATOM 289 CB ALA A 105 8.227 6.653 -3.950 1.00 0.00 C ATOM 0 H ALA A 105 8.279 8.568 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 105 8.828 5.832 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.383 5.724 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.181 6.727 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.483 7.499 -4.588 1.00 0.00 H new ATOM 295 N ALA A 106 11.192 7.565 -3.570 1.00 0.00 N ATOM 296 CA ALA A 106 12.591 7.526 -3.979 1.00 0.00 C ATOM 297 C ALA A 106 13.492 7.124 -2.816 1.00 0.00 C ATOM 298 O ALA A 106 14.487 6.423 -3.002 1.00 0.00 O ATOM 299 CB ALA A 106 13.015 8.877 -4.535 1.00 0.00 C ATOM 0 H ALA A 106 10.747 8.476 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 106 12.695 6.774 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.062 8.834 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 106 12.398 9.125 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.889 9.642 -3.768 1.00 0.00 H new ATOM 305 N LEU A 107 13.138 7.573 -1.616 1.00 0.00 N ATOM 306 CA LEU A 107 13.912 7.260 -0.423 1.00 0.00 C ATOM 307 C LEU A 107 13.557 5.873 0.104 1.00 0.00 C ATOM 308 O LEU A 107 14.413 5.156 0.621 1.00 0.00 O ATOM 309 CB LEU A 107 13.664 8.321 0.656 1.00 0.00 C ATOM 310 CG LEU A 107 14.096 7.929 2.070 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.584 7.616 2.107 1.00 0.00 C ATOM 312 CD2 LEU A 107 13.757 9.038 3.056 1.00 0.00 C ATOM 0 H LEU A 107 12.318 8.156 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 107 14.970 7.263 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.190 9.233 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.600 8.558 0.671 1.00 0.00 H new ATOM 0 HG LEU A 107 13.551 7.031 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.872 7.339 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.799 6.789 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.149 8.495 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 107 14.071 8.743 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.276 9.952 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.681 9.214 3.050 1.00 0.00 H new ATOM 324 N TRP A 108 12.287 5.501 -0.031 1.00 0.00 N ATOM 325 CA TRP A 108 11.819 4.200 0.430 1.00 0.00 C ATOM 326 C TRP A 108 12.290 3.078 -0.495 1.00 0.00 C ATOM 327 O TRP A 108 12.209 1.901 -0.146 1.00 0.00 O ATOM 328 CB TRP A 108 10.291 4.189 0.524 1.00 0.00 C ATOM 329 CG TRP A 108 9.748 5.166 1.524 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.438 5.775 2.534 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.401 5.643 1.611 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.601 6.603 3.242 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.346 6.540 2.696 1.00 0.00 C ATOM 334 CE3 TRP A 108 7.236 5.401 0.878 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.172 7.193 3.063 1.00 0.00 C ATOM 336 CZ3 TRP A 108 6.071 6.050 1.243 1.00 0.00 C ATOM 337 CH2 TRP A 108 6.047 6.937 2.327 1.00 0.00 C ATOM 0 H TRP A 108 11.565 6.083 -0.456 1.00 0.00 H new ATOM 0 HA TRP A 108 12.243 4.026 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.873 4.414 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.958 3.186 0.790 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.487 5.627 2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.870 7.172 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 108 7.246 4.719 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.150 7.877 3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 5.165 5.870 0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.121 7.429 2.587 1.00 0.00 H new ATOM 348 N GLY A 109 12.783 3.448 -1.675 1.00 0.00 N ATOM 349 CA GLY A 109 13.257 2.457 -2.622 1.00 0.00 C ATOM 350 C GLY A 109 12.178 2.023 -3.595 1.00 0.00 C ATOM 351 O GLY A 109 12.078 0.843 -3.935 1.00 0.00 O ATOM 0 H GLY A 109 12.862 4.415 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.101 2.865 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.624 1.586 -2.079 1.00 0.00 H new ATOM 355 N VAL A 110 11.370 2.977 -4.045 1.00 0.00 N ATOM 356 CA VAL A 110 10.294 2.688 -4.984 1.00 0.00 C ATOM 357 C VAL A 110 10.365 3.608 -6.199 1.00 0.00 C ATOM 358 O VAL A 110 10.301 4.830 -6.069 1.00 0.00 O ATOM 359 CB VAL A 110 8.911 2.839 -4.320 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.810 2.376 -5.262 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.858 2.069 -3.008 1.00 0.00 C ATOM 0 H VAL A 110 11.441 3.958 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 110 10.423 1.654 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 110 8.750 3.895 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.842 2.491 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.832 2.977 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.966 1.328 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.874 2.189 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.044 1.012 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.619 2.454 -2.329 1.00 0.00 H new ATOM 371 N ALA A 111 10.498 3.011 -7.379 1.00 0.00 N ATOM 372 CA ALA A 111 10.579 3.777 -8.618 1.00 0.00 C ATOM 373 C ALA A 111 9.307 3.621 -9.444 1.00 0.00 C ATOM 374 O ALA A 111 9.076 2.579 -10.057 1.00 0.00 O ATOM 375 CB ALA A 111 11.793 3.346 -9.426 1.00 0.00 C ATOM 0 H ALA A 111 10.552 2.000 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 111 10.685 4.831 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.841 3.926 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.698 3.517 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.712 2.286 -9.668 1.00 0.00 H new ATOM 381 N LEU A 112 8.484 4.666 -9.456 1.00 0.00 N ATOM 382 CA LEU A 112 7.234 4.645 -10.207 1.00 0.00 C ATOM 383 C LEU A 112 7.450 5.132 -11.636 1.00 0.00 C ATOM 384 O LEU A 112 8.217 6.065 -11.875 1.00 0.00 O ATOM 385 CB LEU A 112 6.185 5.516 -9.514 1.00 0.00 C ATOM 386 CG LEU A 112 6.041 5.283 -8.009 1.00 0.00 C ATOM 387 CD1 LEU A 112 5.768 6.594 -7.288 1.00 0.00 C ATOM 388 CD2 LEU A 112 4.933 4.277 -7.730 1.00 0.00 C ATOM 0 H LEU A 112 8.661 5.537 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 112 6.877 3.616 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.436 6.563 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.219 5.340 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 112 6.979 4.875 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.669 6.407 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.595 7.283 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.845 7.032 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.844 4.123 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.989 4.657 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.171 3.330 -8.214 1.00 0.00 H new ATOM 400 N ARG A 113 6.768 4.495 -12.582 1.00 0.00 N ATOM 401 CA ARG A 113 6.883 4.864 -13.988 1.00 0.00 C ATOM 402 C ARG A 113 5.560 5.410 -14.517 1.00 0.00 C ATOM 403 O ARG A 113 5.522 6.462 -15.155 1.00 0.00 O ATOM 404 CB ARG A 113 7.321 3.656 -14.820 1.00 0.00 C ATOM 405 CG ARG A 113 8.432 3.970 -15.809 1.00 0.00 C ATOM 406 CD ARG A 113 8.017 5.054 -16.789 1.00 0.00 C ATOM 407 NE ARG A 113 7.473 4.497 -18.024 1.00 0.00 N ATOM 408 CZ ARG A 113 8.222 4.012 -19.012 1.00 0.00 C ATOM 409 NH1 ARG A 113 9.547 4.015 -18.914 1.00 0.00 N ATOM 410 NH2 ARG A 113 7.647 3.523 -20.102 1.00 0.00 N ATOM 0 H ARG A 113 6.130 3.720 -12.400 1.00 0.00 H new ATOM 0 HA ARG A 113 7.637 5.646 -14.073 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.656 2.865 -14.149 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.460 3.269 -15.364 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.323 4.289 -15.268 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.699 3.066 -16.357 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.271 5.698 -16.323 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.878 5.680 -17.022 1.00 0.00 H new ATOM 0 HE ARG A 113 6.459 4.478 -18.136 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.996 4.390 -18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.115 3.642 -19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 113 6.630 3.518 -20.184 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.221 3.152 -20.859 1.00 0.00 H new ATOM 424 N GLU A 114 4.478 4.687 -14.245 1.00 0.00 N ATOM 425 CA GLU A 114 3.152 5.098 -14.693 1.00 0.00 C ATOM 426 C GLU A 114 2.310 5.587 -13.517 1.00 0.00 C ATOM 427 O GLU A 114 2.654 5.357 -12.358 1.00 0.00 O ATOM 428 CB GLU A 114 2.446 3.937 -15.396 1.00 0.00 C ATOM 429 CG GLU A 114 2.568 3.980 -16.910 1.00 0.00 C ATOM 430 CD GLU A 114 1.497 3.161 -17.604 1.00 0.00 C ATOM 431 OE1 GLU A 114 0.421 3.721 -17.903 1.00 0.00 O ATOM 432 OE2 GLU A 114 1.733 1.959 -17.849 1.00 0.00 O ATOM 0 H GLU A 114 4.493 3.814 -13.717 1.00 0.00 H new ATOM 0 HA GLU A 114 3.271 5.920 -15.398 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.861 2.997 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.390 3.946 -15.124 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.504 5.015 -17.247 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.550 3.609 -17.202 1.00 0.00 H new ATOM 439 N PRO A 115 1.188 6.271 -13.801 1.00 0.00 N ATOM 440 CA PRO A 115 0.296 6.793 -12.760 1.00 0.00 C ATOM 441 C PRO A 115 -0.419 5.679 -12.000 1.00 0.00 C ATOM 442 O PRO A 115 -0.639 4.593 -12.534 1.00 0.00 O ATOM 443 CB PRO A 115 -0.713 7.638 -13.542 1.00 0.00 C ATOM 444 CG PRO A 115 -0.704 7.065 -14.916 1.00 0.00 C ATOM 445 CD PRO A 115 0.702 6.590 -15.156 1.00 0.00 C ATOM 0 HA PRO A 115 0.842 7.354 -12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -1.706 7.582 -13.096 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -0.426 8.690 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -1.414 6.242 -15.001 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -0.994 7.814 -15.653 1.00 0.00 H new ATOM 0 HD2 PRO A 115 0.726 5.717 -15.808 1.00 0.00 H new ATOM 0 HD3 PRO A 115 1.311 7.359 -15.631 1.00 0.00 H new ATOM 453 N VAL A 116 -0.776 5.957 -10.751 1.00 0.00 N ATOM 454 CA VAL A 116 -1.464 4.978 -9.917 1.00 0.00 C ATOM 455 C VAL A 116 -2.919 4.814 -10.351 1.00 0.00 C ATOM 456 O VAL A 116 -3.615 5.795 -10.607 1.00 0.00 O ATOM 457 CB VAL A 116 -1.421 5.378 -8.428 1.00 0.00 C ATOM 458 CG1 VAL A 116 -2.122 6.711 -8.208 1.00 0.00 C ATOM 459 CG2 VAL A 116 -2.040 4.292 -7.562 1.00 0.00 C ATOM 0 H VAL A 116 -0.601 6.852 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.942 4.030 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 116 -0.377 5.492 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.080 6.974 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.626 7.484 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.163 6.631 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.000 4.594 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.079 4.140 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.486 3.362 -7.693 1.00 0.00 H new ATOM 469 N THR A 117 -3.369 3.566 -10.429 1.00 0.00 N ATOM 470 CA THR A 117 -4.740 3.273 -10.831 1.00 0.00 C ATOM 471 C THR A 117 -5.732 3.765 -9.782 1.00 0.00 C ATOM 472 O THR A 117 -5.411 3.837 -8.596 1.00 0.00 O ATOM 473 CB THR A 117 -4.918 1.770 -11.054 1.00 0.00 C ATOM 474 OG1 THR A 117 -4.618 1.049 -9.872 1.00 0.00 O ATOM 475 CG2 THR A 117 -4.043 1.222 -12.160 1.00 0.00 C ATOM 0 H THR A 117 -2.805 2.742 -10.219 1.00 0.00 H new ATOM 0 HA THR A 117 -4.938 3.798 -11.766 1.00 0.00 H new ATOM 0 HB THR A 117 -5.962 1.642 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.845 0.104 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.218 0.151 -12.266 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.284 1.724 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.995 1.396 -11.915 1.00 0.00 H new ATOM 483 N THR A 118 -6.937 4.104 -10.228 1.00 0.00 N ATOM 484 CA THR A 118 -7.975 4.591 -9.327 1.00 0.00 C ATOM 485 C THR A 118 -8.351 3.528 -8.301 1.00 0.00 C ATOM 486 O THR A 118 -8.610 3.837 -7.138 1.00 0.00 O ATOM 487 CB THR A 118 -9.213 5.009 -10.123 1.00 0.00 C ATOM 488 OG1 THR A 118 -9.569 4.008 -11.060 1.00 0.00 O ATOM 489 CG2 THR A 118 -9.027 6.303 -10.884 1.00 0.00 C ATOM 0 H THR A 118 -7.219 4.051 -11.207 1.00 0.00 H new ATOM 0 HA THR A 118 -7.582 5.458 -8.795 1.00 0.00 H new ATOM 0 HB THR A 118 -9.998 5.152 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.364 4.293 -11.558 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.942 6.541 -11.426 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.800 7.107 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.204 6.194 -11.591 1.00 0.00 H new ATOM 497 N GLU A 119 -8.381 2.273 -8.740 1.00 0.00 N ATOM 498 CA GLU A 119 -8.726 1.164 -7.858 1.00 0.00 C ATOM 499 C GLU A 119 -7.744 1.066 -6.695 1.00 0.00 C ATOM 500 O GLU A 119 -8.140 0.816 -5.556 1.00 0.00 O ATOM 501 CB GLU A 119 -8.740 -0.150 -8.641 1.00 0.00 C ATOM 502 CG GLU A 119 -7.400 -0.500 -9.266 1.00 0.00 C ATOM 503 CD GLU A 119 -7.541 -1.367 -10.502 1.00 0.00 C ATOM 504 OE1 GLU A 119 -8.360 -2.309 -10.476 1.00 0.00 O ATOM 505 OE2 GLU A 119 -6.834 -1.102 -11.497 1.00 0.00 O ATOM 0 H GLU A 119 -8.171 1.999 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.721 1.350 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.042 -0.957 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.493 -0.087 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.875 0.418 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.785 -1.019 -8.531 1.00 0.00 H new ATOM 512 N GLU A 120 -6.464 1.265 -6.987 1.00 0.00 N ATOM 513 CA GLU A 120 -5.426 1.199 -5.965 1.00 0.00 C ATOM 514 C GLU A 120 -5.608 2.307 -4.932 1.00 0.00 C ATOM 515 O GLU A 120 -5.575 2.059 -3.728 1.00 0.00 O ATOM 516 CB GLU A 120 -4.040 1.304 -6.607 1.00 0.00 C ATOM 517 CG GLU A 120 -3.038 0.301 -6.058 1.00 0.00 C ATOM 518 CD GLU A 120 -1.682 0.921 -5.784 1.00 0.00 C ATOM 519 OE1 GLU A 120 -1.260 1.796 -6.569 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.041 0.531 -4.785 1.00 0.00 O ATOM 0 H GLU A 120 -6.120 1.474 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.511 0.238 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.135 1.158 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.654 2.312 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.429 -0.130 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.922 -0.517 -6.769 1.00 0.00 H new ATOM 527 N LEU A 121 -5.798 3.531 -5.414 1.00 0.00 N ATOM 528 CA LEU A 121 -5.984 4.680 -4.535 1.00 0.00 C ATOM 529 C LEU A 121 -7.317 4.591 -3.797 1.00 0.00 C ATOM 530 O LEU A 121 -7.376 4.763 -2.580 1.00 0.00 O ATOM 531 CB LEU A 121 -5.913 5.980 -5.341 1.00 0.00 C ATOM 532 CG LEU A 121 -4.961 7.038 -4.781 1.00 0.00 C ATOM 533 CD1 LEU A 121 -3.553 6.477 -4.660 1.00 0.00 C ATOM 534 CD2 LEU A 121 -4.970 8.279 -5.661 1.00 0.00 C ATOM 0 H LEU A 121 -5.827 3.753 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.183 4.677 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.608 5.742 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.914 6.408 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.304 7.320 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.889 7.243 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.560 5.617 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.199 6.168 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.288 9.022 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.651 8.013 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.978 8.692 -5.697 1.00 0.00 H new ATOM 546 N ALA A 122 -8.384 4.324 -4.543 1.00 0.00 N ATOM 547 CA ALA A 122 -9.715 4.214 -3.960 1.00 0.00 C ATOM 548 C ALA A 122 -9.768 3.112 -2.907 1.00 0.00 C ATOM 549 O ALA A 122 -10.516 3.206 -1.934 1.00 0.00 O ATOM 550 CB ALA A 122 -10.747 3.954 -5.049 1.00 0.00 C ATOM 0 H ALA A 122 -8.352 4.180 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.947 5.159 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.737 3.874 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.738 4.777 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.506 3.024 -5.564 1.00 0.00 H new ATOM 556 N SER A 123 -8.969 2.070 -3.108 1.00 0.00 N ATOM 557 CA SER A 123 -8.925 0.949 -2.175 1.00 0.00 C ATOM 558 C SER A 123 -8.165 1.326 -0.907 1.00 0.00 C ATOM 559 O SER A 123 -8.578 0.981 0.201 1.00 0.00 O ATOM 560 CB SER A 123 -8.272 -0.265 -2.834 1.00 0.00 C ATOM 561 OG SER A 123 -9.229 -1.047 -3.527 1.00 0.00 O ATOM 0 H SER A 123 -8.343 1.978 -3.908 1.00 0.00 H new ATOM 0 HA SER A 123 -9.949 0.696 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.498 0.066 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.781 -0.874 -2.075 1.00 0.00 H new ATOM 0 HG SER A 123 -9.256 -0.773 -4.467 1.00 0.00 H new ATOM 567 N PHE A 124 -7.054 2.033 -1.076 1.00 0.00 N ATOM 568 CA PHE A 124 -6.236 2.455 0.056 1.00 0.00 C ATOM 569 C PHE A 124 -6.982 3.470 0.915 1.00 0.00 C ATOM 570 O PHE A 124 -7.031 3.345 2.139 1.00 0.00 O ATOM 571 CB PHE A 124 -4.918 3.054 -0.435 1.00 0.00 C ATOM 572 CG PHE A 124 -3.749 2.745 0.458 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.664 3.300 1.725 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.738 1.900 0.029 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.590 3.017 2.548 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.662 1.615 0.848 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.587 2.173 2.109 1.00 0.00 C ATOM 0 H PHE A 124 -6.698 2.326 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.021 1.577 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.709 2.679 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -5.027 4.135 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.445 3.960 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.792 1.460 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.535 3.455 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.880 0.956 0.502 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.747 1.951 2.750 1.00 0.00 H new ATOM 587 N ILE A 125 -7.564 4.474 0.268 1.00 0.00 N ATOM 588 CA ILE A 125 -8.309 5.508 0.974 1.00 0.00 C ATOM 589 C ILE A 125 -9.572 4.936 1.610 1.00 0.00 C ATOM 590 O ILE A 125 -9.925 5.286 2.737 1.00 0.00 O ATOM 591 CB ILE A 125 -8.700 6.664 0.030 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.464 7.197 -0.699 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.384 7.779 0.807 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.796 8.115 -1.856 1.00 0.00 C ATOM 0 H ILE A 125 -7.534 4.593 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.654 5.894 1.755 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.402 6.283 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.836 7.734 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.879 6.355 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.653 8.586 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.285 7.391 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.705 8.160 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.874 8.455 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.399 7.576 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.355 8.976 -1.489 1.00 0.00 H new ATOM 606 N ALA A 126 -10.248 4.055 0.880 1.00 0.00 N ATOM 607 CA ALA A 126 -11.472 3.433 1.371 1.00 0.00 C ATOM 608 C ALA A 126 -11.226 2.689 2.679 1.00 0.00 C ATOM 609 O ALA A 126 -11.891 2.944 3.684 1.00 0.00 O ATOM 610 CB ALA A 126 -12.039 2.487 0.324 1.00 0.00 C ATOM 0 H ALA A 126 -9.969 3.756 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 126 -12.198 4.223 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.953 2.030 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -12.263 3.044 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -11.308 1.709 0.103 1.00 0.00 H new ATOM 616 N TYR A 127 -10.268 1.768 2.660 1.00 0.00 N ATOM 617 CA TYR A 127 -9.935 0.985 3.844 1.00 0.00 C ATOM 618 C TYR A 127 -9.338 1.872 4.933 1.00 0.00 C ATOM 619 O TYR A 127 -9.505 1.605 6.124 1.00 0.00 O ATOM 620 CB TYR A 127 -8.951 -0.129 3.483 1.00 0.00 C ATOM 621 CG TYR A 127 -9.188 -1.417 4.239 1.00 0.00 C ATOM 622 CD1 TYR A 127 -10.444 -2.010 4.262 1.00 0.00 C ATOM 623 CD2 TYR A 127 -8.155 -2.040 4.929 1.00 0.00 C ATOM 624 CE1 TYR A 127 -10.665 -3.187 4.952 1.00 0.00 C ATOM 625 CE2 TYR A 127 -8.368 -3.218 5.620 1.00 0.00 C ATOM 626 CZ TYR A 127 -9.624 -3.787 5.629 1.00 0.00 C ATOM 627 OH TYR A 127 -9.840 -4.959 6.316 1.00 0.00 O ATOM 0 H TYR A 127 -9.708 1.546 1.837 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.854 0.540 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -9.018 -0.328 2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.936 0.216 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -11.261 -1.544 3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.170 -1.597 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -11.648 -3.635 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.554 -3.691 6.150 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.004 -5.250 6.737 1.00 0.00 H new ATOM 637 N TRP A 128 -8.642 2.924 4.518 1.00 0.00 N ATOM 638 CA TRP A 128 -8.021 3.850 5.458 1.00 0.00 C ATOM 639 C TRP A 128 -9.074 4.712 6.150 1.00 0.00 C ATOM 640 O TRP A 128 -8.909 5.103 7.305 1.00 0.00 O ATOM 641 CB TRP A 128 -7.000 4.733 4.731 1.00 0.00 C ATOM 642 CG TRP A 128 -6.482 5.874 5.559 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.244 7.149 5.133 1.00 0.00 C ATOM 644 CD2 TRP A 128 -6.137 5.844 6.950 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.774 7.915 6.171 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.699 7.138 7.297 1.00 0.00 C ATOM 647 CE3 TRP A 128 -6.156 4.853 7.936 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.285 7.462 8.587 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.744 5.179 9.215 1.00 0.00 C ATOM 650 CH2 TRP A 128 -5.315 6.474 9.530 1.00 0.00 C ATOM 0 H TRP A 128 -8.493 3.157 3.536 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.505 3.269 6.222 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -6.159 4.115 4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.459 5.132 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.402 7.504 4.125 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.522 8.902 6.113 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -6.486 3.852 7.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.952 8.459 8.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.753 4.421 9.985 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -5.001 6.696 10.539 1.00 0.00 H new ATOM 661 N GLN A 129 -10.156 5.005 5.435 1.00 0.00 N ATOM 662 CA GLN A 129 -11.234 5.822 5.981 1.00 0.00 C ATOM 663 C GLN A 129 -12.108 5.005 6.928 1.00 0.00 C ATOM 664 O GLN A 129 -12.539 5.498 7.971 1.00 0.00 O ATOM 665 CB GLN A 129 -12.085 6.406 4.850 1.00 0.00 C ATOM 666 CG GLN A 129 -12.190 7.922 4.891 1.00 0.00 C ATOM 667 CD GLN A 129 -13.581 8.419 4.547 1.00 0.00 C ATOM 668 OE1 GLN A 129 -14.575 7.737 4.791 1.00 0.00 O ATOM 669 NE2 GLN A 129 -13.656 9.616 3.975 1.00 0.00 N ATOM 0 H GLN A 129 -10.309 4.689 4.477 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.787 6.641 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.659 6.105 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.086 5.979 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -11.918 8.275 5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.472 8.351 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.805 10.147 3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -14.564 10.003 3.720 1.00 0.00 H new ATOM 678 N ALA A 130 -12.365 3.755 6.559 1.00 0.00 N ATOM 679 CA ALA A 130 -13.187 2.871 7.377 1.00 0.00 C ATOM 680 C ALA A 130 -12.415 2.374 8.594 1.00 0.00 C ATOM 681 O ALA A 130 -12.996 2.117 9.648 1.00 0.00 O ATOM 682 CB ALA A 130 -13.684 1.695 6.549 1.00 0.00 C ATOM 0 H ALA A 130 -12.016 3.331 5.699 1.00 0.00 H new ATOM 0 HA ALA A 130 -14.046 3.440 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -14.296 1.044 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -14.281 2.064 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -12.832 1.134 6.166 1.00 0.00 H new ATOM 688 N GLU A 131 -11.101 2.244 8.442 1.00 0.00 N ATOM 689 CA GLU A 131 -10.247 1.779 9.527 1.00 0.00 C ATOM 690 C GLU A 131 -10.339 2.714 10.730 1.00 0.00 C ATOM 691 O GLU A 131 -10.547 2.271 11.859 1.00 0.00 O ATOM 692 CB GLU A 131 -8.795 1.677 9.054 1.00 0.00 C ATOM 693 CG GLU A 131 -8.374 0.264 8.684 1.00 0.00 C ATOM 694 CD GLU A 131 -6.995 -0.089 9.203 1.00 0.00 C ATOM 695 OE1 GLU A 131 -6.842 -0.229 10.435 1.00 0.00 O ATOM 696 OE2 GLU A 131 -6.066 -0.223 8.379 1.00 0.00 O ATOM 0 H GLU A 131 -10.605 2.455 7.576 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.592 0.791 9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.657 2.327 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.138 2.049 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.100 -0.444 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.388 0.157 7.599 1.00 0.00 H new ATOM 703 N GLY A 132 -10.182 4.010 10.478 1.00 0.00 N ATOM 704 CA GLY A 132 -10.251 4.988 11.549 1.00 0.00 C ATOM 705 C GLY A 132 -9.251 4.711 12.655 1.00 0.00 C ATOM 706 O GLY A 132 -9.545 4.916 13.832 1.00 0.00 O ATOM 0 H GLY A 132 -10.008 4.400 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.070 5.982 11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.258 4.994 11.967 1.00 0.00 H new ATOM 710 N LYS A 133 -8.068 4.241 12.275 1.00 0.00 N ATOM 711 CA LYS A 133 -7.020 3.932 13.241 1.00 0.00 C ATOM 712 C LYS A 133 -5.831 4.874 13.072 1.00 0.00 C ATOM 713 O LYS A 133 -5.940 5.914 12.423 1.00 0.00 O ATOM 714 CB LYS A 133 -6.566 2.478 13.081 1.00 0.00 C ATOM 715 CG LYS A 133 -7.715 1.496 12.919 1.00 0.00 C ATOM 716 CD LYS A 133 -7.415 0.170 13.599 1.00 0.00 C ATOM 717 CE LYS A 133 -8.033 0.104 14.986 1.00 0.00 C ATOM 718 NZ LYS A 133 -7.279 -0.810 15.887 1.00 0.00 N ATOM 0 H LYS A 133 -7.811 4.065 11.304 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.427 4.069 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -5.911 2.404 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.975 2.193 13.951 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.624 1.925 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.904 1.328 11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.799 -0.648 12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.336 0.034 13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.057 1.103 15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.066 -0.235 14.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -7.732 -0.827 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.277 -1.769 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -6.300 -0.473 15.983 1.00 0.00 H new ATOM 732 N VAL A 134 -4.700 4.503 13.660 1.00 0.00 N ATOM 733 CA VAL A 134 -3.492 5.313 13.574 1.00 0.00 C ATOM 734 C VAL A 134 -2.258 4.437 13.389 1.00 0.00 C ATOM 735 O VAL A 134 -2.159 3.356 13.972 1.00 0.00 O ATOM 736 CB VAL A 134 -3.307 6.183 14.832 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.227 7.229 14.603 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.620 6.842 15.228 1.00 0.00 C ATOM 0 H VAL A 134 -4.595 3.645 14.202 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.607 5.963 12.707 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.991 5.538 15.652 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.110 7.834 15.502 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.283 6.734 14.374 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.512 7.870 13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.467 7.452 16.119 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.971 7.473 14.412 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.364 6.074 15.438 1.00 0.00 H new ATOM 748 N PHE A 135 -1.319 4.907 12.575 1.00 0.00 N ATOM 749 CA PHE A 135 -0.090 4.161 12.315 1.00 0.00 C ATOM 750 C PHE A 135 1.120 5.089 12.331 1.00 0.00 C ATOM 751 O PHE A 135 0.977 6.311 12.380 1.00 0.00 O ATOM 752 CB PHE A 135 -0.168 3.439 10.964 1.00 0.00 C ATOM 753 CG PHE A 135 -1.567 3.098 10.530 1.00 0.00 C ATOM 754 CD1 PHE A 135 -2.342 2.218 11.269 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.105 3.658 9.382 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.628 1.903 10.869 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.390 3.347 8.979 1.00 0.00 C ATOM 758 CZ PHE A 135 -4.152 2.468 9.723 1.00 0.00 C ATOM 0 H PHE A 135 -1.384 5.799 12.084 1.00 0.00 H new ATOM 0 HA PHE A 135 0.023 3.420 13.106 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.295 4.066 10.202 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.417 2.521 11.020 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.938 1.774 12.166 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.513 4.345 8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -4.222 1.215 11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.798 3.791 8.083 1.00 0.00 H new ATOM 0 HZ PHE A 135 -5.156 2.223 9.409 1.00 0.00 H new ATOM 768 N HIS A 136 2.310 4.502 12.288 1.00 0.00 N ATOM 769 CA HIS A 136 3.546 5.276 12.296 1.00 0.00 C ATOM 770 C HIS A 136 4.010 5.569 10.873 1.00 0.00 C ATOM 771 O HIS A 136 3.389 5.133 9.904 1.00 0.00 O ATOM 772 CB HIS A 136 4.639 4.524 13.059 1.00 0.00 C ATOM 773 CG HIS A 136 4.723 4.897 14.506 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.649 5.792 15.001 1.00 0.00 N ATOM 775 CD2 HIS A 136 3.990 4.492 15.570 1.00 0.00 C ATOM 776 CE1 HIS A 136 5.482 5.920 16.305 1.00 0.00 C ATOM 777 NE2 HIS A 136 4.483 5.142 16.674 1.00 0.00 N ATOM 0 H HIS A 136 2.446 3.492 12.247 1.00 0.00 H new ATOM 0 HA HIS A 136 3.351 6.224 12.798 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.455 3.453 12.978 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.601 4.719 12.585 1.00 0.00 H new ATOM 0 HD2 HIS A 136 3.170 3.789 15.553 1.00 0.00 H new ATOM 0 HE1 HIS A 136 6.064 6.554 16.958 1.00 0.00 H new ATOM 0 HE2 HIS A 136 4.133 5.040 17.627 1.00 0.00 H new ATOM 786 N HIS A 137 5.108 6.309 10.752 1.00 0.00 N ATOM 787 CA HIS A 137 5.654 6.657 9.446 1.00 0.00 C ATOM 788 C HIS A 137 6.229 5.428 8.751 1.00 0.00 C ATOM 789 O HIS A 137 6.162 5.304 7.529 1.00 0.00 O ATOM 790 CB HIS A 137 6.737 7.728 9.591 1.00 0.00 C ATOM 791 CG HIS A 137 7.889 7.303 10.448 1.00 0.00 C ATOM 792 ND1 HIS A 137 8.060 7.350 11.790 1.00 0.00 N flip ATOM 793 CD2 HIS A 137 9.045 6.752 9.936 1.00 0.00 C flip ATOM 794 CE1 HIS A 137 9.303 6.832 12.061 1.00 0.00 C flip ATOM 795 NE2 HIS A 137 9.877 6.479 10.926 1.00 0.00 N flip ATOM 0 H HIS A 137 5.636 6.679 11.542 1.00 0.00 H new ATOM 0 HA HIS A 137 4.842 7.051 8.835 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.109 7.993 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.292 8.628 10.015 1.00 0.00 H new ATOM 0 HD2 HIS A 137 9.240 6.572 8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 137 9.740 6.730 13.043 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.805 6.066 10.829 1.00 0.00 H new ATOM 804 N VAL A 138 6.794 4.519 9.540 1.00 0.00 N ATOM 805 CA VAL A 138 7.381 3.298 9.003 1.00 0.00 C ATOM 806 C VAL A 138 6.306 2.373 8.439 1.00 0.00 C ATOM 807 O VAL A 138 6.485 1.772 7.380 1.00 0.00 O ATOM 808 CB VAL A 138 8.179 2.539 10.078 1.00 0.00 C ATOM 809 CG1 VAL A 138 8.946 1.381 9.459 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.124 3.482 10.808 1.00 0.00 C ATOM 0 H VAL A 138 6.857 4.606 10.554 1.00 0.00 H new ATOM 0 HA VAL A 138 8.057 3.598 8.202 1.00 0.00 H new ATOM 0 HB VAL A 138 7.475 2.131 10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 138 9.504 0.857 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.246 0.691 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 138 9.639 1.763 8.710 1.00 0.00 H new ATOM 0 HG21 VAL A 138 9.679 2.927 11.564 1.00 0.00 H new ATOM 0 HG22 VAL A 138 9.822 3.922 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 138 8.549 4.274 11.288 1.00 0.00 H new ATOM 820 N GLN A 139 5.192 2.265 9.155 1.00 0.00 N ATOM 821 CA GLN A 139 4.087 1.415 8.727 1.00 0.00 C ATOM 822 C GLN A 139 3.428 1.967 7.468 1.00 0.00 C ATOM 823 O GLN A 139 2.938 1.211 6.629 1.00 0.00 O ATOM 824 CB GLN A 139 3.052 1.291 9.846 1.00 0.00 C ATOM 825 CG GLN A 139 3.545 0.501 11.046 1.00 0.00 C ATOM 826 CD GLN A 139 3.480 -0.998 10.824 1.00 0.00 C ATOM 827 OE1 GLN A 139 4.507 -1.673 10.764 1.00 0.00 O ATOM 828 NE2 GLN A 139 2.268 -1.525 10.700 1.00 0.00 N ATOM 0 H GLN A 139 5.030 2.756 10.035 1.00 0.00 H new ATOM 0 HA GLN A 139 4.489 0.428 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 139 2.762 2.289 10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.156 0.813 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 139 4.573 0.788 11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 139 2.946 0.762 11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 139 1.444 -0.927 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 139 2.161 -2.528 10.548 1.00 0.00 H new ATOM 837 N TRP A 140 3.420 3.290 7.341 1.00 0.00 N ATOM 838 CA TRP A 140 2.821 3.943 6.183 1.00 0.00 C ATOM 839 C TRP A 140 3.651 3.698 4.927 1.00 0.00 C ATOM 840 O TRP A 140 3.108 3.434 3.855 1.00 0.00 O ATOM 841 CB TRP A 140 2.687 5.446 6.433 1.00 0.00 C ATOM 842 CG TRP A 140 1.629 6.096 5.593 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.326 6.312 5.939 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.784 6.612 4.266 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.338 6.932 4.908 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.536 7.127 3.870 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.859 6.690 3.375 1.00 0.00 C ATOM 848 CZ2 TRP A 140 0.333 7.711 2.623 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.656 7.270 2.137 1.00 0.00 C ATOM 850 CH2 TRP A 140 1.402 7.774 1.770 1.00 0.00 C ATOM 0 H TRP A 140 3.821 3.931 8.026 1.00 0.00 H new ATOM 0 HA TRP A 140 1.830 3.516 6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.459 5.613 7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.645 5.927 6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -0.118 6.036 6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.321 7.203 4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.830 6.304 3.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.633 8.101 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.479 7.336 1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.276 8.221 0.795 1.00 0.00 H new ATOM 861 N GLN A 141 4.969 3.790 5.068 1.00 0.00 N ATOM 862 CA GLN A 141 5.875 3.581 3.945 1.00 0.00 C ATOM 863 C GLN A 141 5.964 2.102 3.580 1.00 0.00 C ATOM 864 O GLN A 141 6.091 1.749 2.408 1.00 0.00 O ATOM 865 CB GLN A 141 7.266 4.119 4.279 1.00 0.00 C ATOM 866 CG GLN A 141 7.923 3.417 5.455 1.00 0.00 C ATOM 867 CD GLN A 141 9.345 3.886 5.693 1.00 0.00 C ATOM 868 OE1 GLN A 141 10.303 3.248 5.256 1.00 0.00 O ATOM 869 NE2 GLN A 141 9.490 5.007 6.391 1.00 0.00 N ATOM 0 H GLN A 141 5.434 4.008 5.949 1.00 0.00 H new ATOM 0 HA GLN A 141 5.478 4.123 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 141 7.906 4.018 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.192 5.184 4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.332 3.591 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.924 2.342 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.668 5.504 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.423 5.371 6.584 1.00 0.00 H new ATOM 878 N GLN A 142 5.901 1.242 4.591 1.00 0.00 N ATOM 879 CA GLN A 142 5.979 -0.198 4.375 1.00 0.00 C ATOM 880 C GLN A 142 4.705 -0.727 3.722 1.00 0.00 C ATOM 881 O GLN A 142 4.758 -1.596 2.852 1.00 0.00 O ATOM 882 CB GLN A 142 6.222 -0.921 5.701 1.00 0.00 C ATOM 883 CG GLN A 142 7.688 -0.993 6.095 1.00 0.00 C ATOM 884 CD GLN A 142 8.378 -2.227 5.546 1.00 0.00 C ATOM 885 OE1 GLN A 142 7.984 -2.764 4.511 1.00 0.00 O ATOM 886 NE2 GLN A 142 9.415 -2.681 6.241 1.00 0.00 N ATOM 0 H GLN A 142 5.796 1.517 5.568 1.00 0.00 H new ATOM 0 HA GLN A 142 6.815 -0.391 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 142 5.667 -0.413 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 142 5.823 -1.933 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.202 -0.102 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 142 7.769 -0.989 7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 142 9.706 -2.203 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 142 9.920 -3.508 5.922 1.00 0.00 H new ATOM 895 N LYS A 143 3.563 -0.199 4.149 1.00 0.00 N ATOM 896 CA LYS A 143 2.276 -0.622 3.606 1.00 0.00 C ATOM 897 C LYS A 143 2.100 -0.141 2.169 1.00 0.00 C ATOM 898 O LYS A 143 1.825 -0.935 1.269 1.00 0.00 O ATOM 899 CB LYS A 143 1.136 -0.092 4.477 1.00 0.00 C ATOM 900 CG LYS A 143 0.666 -1.079 5.533 1.00 0.00 C ATOM 901 CD LYS A 143 -0.571 -1.840 5.078 1.00 0.00 C ATOM 902 CE LYS A 143 -1.742 -1.620 6.020 1.00 0.00 C ATOM 903 NZ LYS A 143 -2.120 -0.182 6.113 1.00 0.00 N ATOM 0 H LYS A 143 3.502 0.522 4.868 1.00 0.00 H new ATOM 0 HA LYS A 143 2.252 -1.712 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.462 0.825 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 143 0.294 0.171 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 143 1.467 -1.784 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.446 -0.546 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -0.847 -1.520 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -0.344 -2.905 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -2.599 -2.199 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -1.485 -1.992 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -3.109 -0.103 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -1.502 0.296 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.012 0.266 5.181 1.00 0.00 H new ATOM 917 N LEU A 144 2.253 1.162 1.961 1.00 0.00 N ATOM 918 CA LEU A 144 2.106 1.748 0.634 1.00 0.00 C ATOM 919 C LEU A 144 3.108 1.146 -0.347 1.00 0.00 C ATOM 920 O LEU A 144 2.727 0.622 -1.394 1.00 0.00 O ATOM 921 CB LEU A 144 2.286 3.267 0.701 1.00 0.00 C ATOM 922 CG LEU A 144 1.144 4.081 0.091 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.144 4.488 1.162 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.689 5.309 -0.627 1.00 0.00 C ATOM 0 H LEU A 144 2.479 1.833 2.695 1.00 0.00 H new ATOM 0 HA LEU A 144 1.101 1.523 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.402 3.558 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.213 3.531 0.191 1.00 0.00 H new ATOM 0 HG LEU A 144 0.628 3.456 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.661 5.066 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -0.270 3.596 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 144 0.645 5.094 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.863 5.877 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.230 5.935 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 144 2.364 4.995 -1.423 1.00 0.00 H new ATOM 936 N ALA A 145 4.389 1.227 -0.004 1.00 0.00 N ATOM 937 CA ALA A 145 5.447 0.695 -0.857 1.00 0.00 C ATOM 938 C ALA A 145 5.224 -0.783 -1.164 1.00 0.00 C ATOM 939 O ALA A 145 5.183 -1.186 -2.326 1.00 0.00 O ATOM 940 CB ALA A 145 6.804 0.899 -0.201 1.00 0.00 C ATOM 0 H ALA A 145 4.721 1.656 0.860 1.00 0.00 H new ATOM 0 HA ALA A 145 5.423 1.240 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.585 0.498 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 145 6.975 1.964 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.826 0.382 0.758 1.00 0.00 H new ATOM 946 N ARG A 146 5.084 -1.587 -0.115 1.00 0.00 N ATOM 947 CA ARG A 146 4.870 -3.021 -0.274 1.00 0.00 C ATOM 948 C ARG A 146 3.605 -3.302 -1.080 1.00 0.00 C ATOM 949 O ARG A 146 3.524 -4.300 -1.796 1.00 0.00 O ATOM 950 CB ARG A 146 4.775 -3.698 1.095 1.00 0.00 C ATOM 951 CG ARG A 146 4.590 -5.205 1.018 1.00 0.00 C ATOM 952 CD ARG A 146 5.697 -5.866 0.211 1.00 0.00 C ATOM 953 NE ARG A 146 6.360 -6.929 0.960 1.00 0.00 N ATOM 954 CZ ARG A 146 7.299 -6.715 1.880 1.00 0.00 C ATOM 955 NH1 ARG A 146 7.686 -5.478 2.168 1.00 0.00 N ATOM 956 NH2 ARG A 146 7.853 -7.739 2.513 1.00 0.00 N ATOM 0 H ARG A 146 5.115 -1.270 0.854 1.00 0.00 H new ATOM 0 HA ARG A 146 5.722 -3.429 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.680 -3.480 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.941 -3.266 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 146 4.575 -5.622 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 146 3.625 -5.431 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.280 -6.276 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.432 -5.115 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 146 6.088 -7.893 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.264 -4.686 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 146 8.406 -5.320 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 146 7.560 -8.692 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 146 8.572 -7.575 3.217 1.00 0.00 H new ATOM 970 N SER A 147 2.620 -2.420 -0.958 1.00 0.00 N ATOM 971 CA SER A 147 1.360 -2.580 -1.674 1.00 0.00 C ATOM 972 C SER A 147 1.531 -2.276 -3.159 1.00 0.00 C ATOM 973 O SER A 147 1.040 -3.011 -4.015 1.00 0.00 O ATOM 974 CB SER A 147 0.289 -1.667 -1.075 1.00 0.00 C ATOM 975 OG SER A 147 -0.176 -2.170 0.166 1.00 0.00 O ATOM 0 H SER A 147 2.669 -1.588 -0.371 1.00 0.00 H new ATOM 0 HA SER A 147 1.044 -3.618 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.697 -0.666 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.546 -1.576 -1.770 1.00 0.00 H new ATOM 0 HG SER A 147 0.291 -1.717 0.898 1.00 0.00 H new ATOM 981 N LEU A 148 2.230 -1.186 -3.458 1.00 0.00 N ATOM 982 CA LEU A 148 2.463 -0.783 -4.841 1.00 0.00 C ATOM 983 C LEU A 148 3.210 -1.869 -5.609 1.00 0.00 C ATOM 984 O LEU A 148 2.921 -2.127 -6.777 1.00 0.00 O ATOM 985 CB LEU A 148 3.255 0.526 -4.885 1.00 0.00 C ATOM 986 CG LEU A 148 2.574 1.718 -4.211 1.00 0.00 C ATOM 987 CD1 LEU A 148 3.611 2.693 -3.678 1.00 0.00 C ATOM 988 CD2 LEU A 148 1.635 2.414 -5.185 1.00 0.00 C ATOM 0 H LEU A 148 2.645 -0.566 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 148 1.494 -0.631 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.223 0.364 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.450 0.780 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 148 1.986 1.350 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 148 3.108 3.535 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 148 4.244 2.188 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 148 4.226 3.056 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 148 1.159 3.260 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 148 2.202 2.770 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.871 1.712 -5.519 1.00 0.00 H new ATOM 1000 N GLN A 149 4.173 -2.501 -4.946 1.00 0.00 N ATOM 1001 CA GLN A 149 4.963 -3.559 -5.568 1.00 0.00 C ATOM 1002 C GLN A 149 4.109 -4.796 -5.826 1.00 0.00 C ATOM 1003 O GLN A 149 3.989 -5.254 -6.963 1.00 0.00 O ATOM 1004 CB GLN A 149 6.154 -3.922 -4.681 1.00 0.00 C ATOM 1005 CG GLN A 149 7.333 -2.974 -4.827 1.00 0.00 C ATOM 1006 CD GLN A 149 8.580 -3.482 -4.131 1.00 0.00 C ATOM 1007 OE1 GLN A 149 8.717 -3.368 -2.914 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.500 -4.047 -4.905 1.00 0.00 N ATOM 0 H GLN A 149 4.426 -2.299 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 149 5.331 -3.189 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 149 5.832 -3.930 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 149 6.480 -4.934 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 149 7.547 -2.827 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 149 7.064 -2.000 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 149 9.345 -4.121 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 149 10.361 -4.407 -4.494 1.00 0.00 H new ATOM 1017 N ILE A 150 3.518 -5.333 -4.764 1.00 0.00 N ATOM 1018 CA ILE A 150 2.675 -6.518 -4.876 1.00 0.00 C ATOM 1019 C ILE A 150 1.455 -6.250 -5.753 1.00 0.00 C ATOM 1020 O ILE A 150 0.821 -7.181 -6.249 1.00 0.00 O ATOM 1021 CB ILE A 150 2.205 -7.006 -3.490 1.00 0.00 C ATOM 1022 CG1 ILE A 150 3.408 -7.225 -2.569 1.00 0.00 C ATOM 1023 CG2 ILE A 150 1.391 -8.285 -3.620 1.00 0.00 C ATOM 1024 CD1 ILE A 150 4.310 -8.356 -3.011 1.00 0.00 C ATOM 0 H ILE A 150 3.607 -4.967 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 150 3.283 -7.295 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 150 1.567 -6.239 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 150 3.990 -6.305 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.050 -7.430 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 150 1.069 -8.613 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 150 0.517 -8.098 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.004 -9.061 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.141 -8.453 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.743 -9.287 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 150 4.697 -8.144 -4.008 1.00 0.00 H new ATOM 1036 N GLY A 151 1.130 -4.975 -5.940 1.00 0.00 N ATOM 1037 CA GLY A 151 -0.013 -4.614 -6.758 1.00 0.00 C ATOM 1038 C GLY A 151 0.285 -4.700 -8.242 1.00 0.00 C ATOM 1039 O GLY A 151 -0.503 -5.254 -9.009 1.00 0.00 O ATOM 0 H GLY A 151 1.637 -4.186 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -0.849 -5.272 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.326 -3.599 -6.512 1.00 0.00 H new