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 -172:sc= -2.69 (180deg=-2.83!) USER MOD Single : A 91 MET CE :methyl 150:sc=-0.00596 (180deg=-0.343) 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 180:sc= 0.0707 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -2.1 F(o=-3.7!,f=-2.1) USER MOD Single : A 139 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 141 GLN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 142 GLN : amide:sc=-0.000919 K(o=-0.00092,f=-1.2!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 1.880 7.361 17.978 1.00 0.00 N ATOM 2 CA MET A 88 1.506 7.090 16.565 1.00 0.00 C ATOM 3 C MET A 88 1.389 8.385 15.768 1.00 0.00 C ATOM 4 O MET A 88 1.827 9.443 16.218 1.00 0.00 O ATOM 5 CB MET A 88 0.175 6.336 16.549 1.00 0.00 C ATOM 6 CG MET A 88 0.127 5.165 17.517 1.00 0.00 C ATOM 7 SD MET A 88 -1.529 4.473 17.689 1.00 0.00 S ATOM 8 CE MET A 88 -2.435 5.905 18.269 1.00 0.00 C ATOM 0 HA MET A 88 2.284 6.487 16.098 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.629 7.030 16.792 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.014 5.970 15.540 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.808 4.386 17.173 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.483 5.491 18.494 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.443 5.606 18.558 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.923 6.335 19.130 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.491 6.647 17.473 1.00 0.00 H new ATOM 20 N PHE A 89 0.797 8.294 14.581 1.00 0.00 N ATOM 21 CA PHE A 89 0.624 9.460 13.722 1.00 0.00 C ATOM 22 C PHE A 89 -0.558 9.272 12.777 1.00 0.00 C ATOM 23 O PHE A 89 -0.444 8.607 11.747 1.00 0.00 O ATOM 24 CB PHE A 89 1.898 9.717 12.916 1.00 0.00 C ATOM 25 CG PHE A 89 2.998 10.356 13.716 1.00 0.00 C ATOM 26 CD1 PHE A 89 3.918 9.577 14.399 1.00 0.00 C ATOM 27 CD2 PHE A 89 3.109 11.735 13.786 1.00 0.00 C ATOM 28 CE1 PHE A 89 4.931 10.163 15.136 1.00 0.00 C ATOM 29 CE2 PHE A 89 4.119 12.327 14.522 1.00 0.00 C ATOM 30 CZ PHE A 89 5.031 11.539 15.197 1.00 0.00 C ATOM 0 H PHE A 89 0.429 7.425 14.193 1.00 0.00 H new ATOM 0 HA PHE A 89 0.422 10.321 14.359 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.258 8.772 12.510 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.658 10.358 12.068 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.843 8.500 14.355 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.398 12.355 13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.643 9.545 15.663 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.195 13.403 14.569 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.821 11.999 15.772 1.00 0.00 H new ATOM 40 N ALA A 90 -1.694 9.861 13.136 1.00 0.00 N ATOM 41 CA ALA A 90 -2.898 9.760 12.322 1.00 0.00 C ATOM 42 C ALA A 90 -2.815 10.676 11.106 1.00 0.00 C ATOM 43 O ALA A 90 -1.823 11.377 10.908 1.00 0.00 O ATOM 44 CB ALA A 90 -4.125 10.096 13.156 1.00 0.00 C ATOM 0 H ALA A 90 -1.805 10.414 13.986 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.984 8.734 11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.019 10.017 12.537 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.199 9.399 13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.037 11.113 13.539 1.00 0.00 H new ATOM 50 N MET A 91 -3.867 10.663 10.297 1.00 0.00 N ATOM 51 CA MET A 91 -3.920 11.490 9.097 1.00 0.00 C ATOM 52 C MET A 91 -5.365 11.701 8.649 1.00 0.00 C ATOM 53 O MET A 91 -6.300 11.467 9.413 1.00 0.00 O ATOM 54 CB MET A 91 -3.104 10.844 7.974 1.00 0.00 C ATOM 55 CG MET A 91 -1.992 11.735 7.442 1.00 0.00 C ATOM 56 SD MET A 91 -0.463 10.829 7.133 1.00 0.00 S ATOM 57 CE MET A 91 -1.052 9.529 6.052 1.00 0.00 C ATOM 0 H MET A 91 -4.696 10.089 10.450 1.00 0.00 H new ATOM 0 HA MET A 91 -3.489 12.464 9.330 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.670 9.914 8.340 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.773 10.582 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.322 12.209 6.517 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.798 12.534 8.158 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.254 9.231 5.372 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.359 8.670 6.649 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.903 9.893 5.476 1.00 0.00 H new ATOM 67 N TYR A 92 -5.540 12.142 7.407 1.00 0.00 N ATOM 68 CA TYR A 92 -6.869 12.380 6.861 1.00 0.00 C ATOM 69 C TYR A 92 -6.984 11.782 5.464 1.00 0.00 C ATOM 70 O TYR A 92 -5.980 11.603 4.779 1.00 0.00 O ATOM 71 CB TYR A 92 -7.167 13.880 6.816 1.00 0.00 C ATOM 72 CG TYR A 92 -6.082 14.694 6.148 1.00 0.00 C ATOM 73 CD1 TYR A 92 -4.821 14.810 6.721 1.00 0.00 C ATOM 74 CD2 TYR A 92 -6.319 15.348 4.946 1.00 0.00 C ATOM 75 CE1 TYR A 92 -3.827 15.553 6.112 1.00 0.00 C ATOM 76 CE2 TYR A 92 -5.330 16.093 4.331 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.087 16.192 4.919 1.00 0.00 C ATOM 78 OH TYR A 92 -3.100 16.932 4.310 1.00 0.00 O ATOM 0 H TYR A 92 -4.777 12.341 6.760 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.599 11.897 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.107 14.039 6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.308 14.244 7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.615 14.312 7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.292 15.273 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.852 15.632 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.530 16.594 3.396 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.446 17.316 3.477 1.00 0.00 H new ATOM 88 N PRO A 93 -8.210 11.457 5.022 1.00 0.00 N ATOM 89 CA PRO A 93 -8.446 10.868 3.704 1.00 0.00 C ATOM 90 C PRO A 93 -8.552 11.910 2.592 1.00 0.00 C ATOM 91 O PRO A 93 -9.110 11.637 1.529 1.00 0.00 O ATOM 92 CB PRO A 93 -9.783 10.161 3.896 1.00 0.00 C ATOM 93 CG PRO A 93 -10.514 11.008 4.882 1.00 0.00 C ATOM 94 CD PRO A 93 -9.467 11.625 5.778 1.00 0.00 C ATOM 0 HA PRO A 93 -7.627 10.220 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.330 10.084 2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.646 9.146 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.094 11.779 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.217 10.409 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.678 12.676 5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.422 11.123 6.745 1.00 0.00 H new ATOM 102 N ASP A 94 -8.018 13.104 2.836 1.00 0.00 N ATOM 103 CA ASP A 94 -8.064 14.174 1.845 1.00 0.00 C ATOM 104 C ASP A 94 -6.669 14.513 1.323 1.00 0.00 C ATOM 105 O ASP A 94 -6.447 15.603 0.795 1.00 0.00 O ATOM 106 CB ASP A 94 -8.714 15.423 2.446 1.00 0.00 C ATOM 107 CG ASP A 94 -9.672 16.096 1.483 1.00 0.00 C ATOM 108 OD1 ASP A 94 -9.216 16.942 0.686 1.00 0.00 O ATOM 109 OD2 ASP A 94 -10.879 15.776 1.526 1.00 0.00 O ATOM 0 H ASP A 94 -7.551 13.354 3.707 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.663 13.823 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.250 15.149 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.937 16.130 2.735 1.00 0.00 H new ATOM 114 N TRP A 95 -5.731 13.581 1.473 1.00 0.00 N ATOM 115 CA TRP A 95 -4.369 13.796 1.015 1.00 0.00 C ATOM 116 C TRP A 95 -4.282 13.688 -0.505 1.00 0.00 C ATOM 117 O TRP A 95 -4.563 12.636 -1.080 1.00 0.00 O ATOM 118 CB TRP A 95 -3.431 12.783 1.670 1.00 0.00 C ATOM 119 CG TRP A 95 -3.806 11.357 1.402 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.610 10.565 2.168 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.385 10.552 0.295 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.720 9.317 1.604 1.00 0.00 N ATOM 123 CE2 TRP A 95 -3.977 9.284 0.453 1.00 0.00 C ATOM 124 CE3 TRP A 95 -2.568 10.780 -0.815 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -3.775 8.250 -0.457 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -2.368 9.752 -1.718 1.00 0.00 C ATOM 127 CH2 TRP A 95 -2.971 8.500 -1.535 1.00 0.00 C ATOM 0 H TRP A 95 -5.893 12.673 1.908 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.065 14.802 1.303 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.416 12.956 1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.423 12.951 2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.090 10.874 3.085 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.266 8.542 1.980 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.101 11.742 -0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.237 7.284 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.737 9.917 -2.579 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.797 7.718 -2.259 1.00 0.00 H new ATOM 138 N GLN A 96 -3.890 14.783 -1.148 1.00 0.00 N ATOM 139 CA GLN A 96 -3.766 14.814 -2.601 1.00 0.00 C ATOM 140 C GLN A 96 -2.328 14.537 -3.031 1.00 0.00 C ATOM 141 O GLN A 96 -1.389 14.767 -2.270 1.00 0.00 O ATOM 142 CB GLN A 96 -4.221 16.170 -3.144 1.00 0.00 C ATOM 143 CG GLN A 96 -5.650 16.527 -2.772 1.00 0.00 C ATOM 144 CD GLN A 96 -6.436 17.089 -3.942 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.740 18.281 -3.985 1.00 0.00 O ATOM 146 NE2 GLN A 96 -6.769 16.229 -4.898 1.00 0.00 N ATOM 0 H GLN A 96 -3.653 15.661 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.406 14.033 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.553 16.945 -2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.127 16.167 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.155 15.639 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.639 17.257 -1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.496 15.249 -4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.298 16.548 -5.710 1.00 0.00 H new ATOM 155 N PRO A 97 -2.136 14.037 -4.265 1.00 0.00 N ATOM 156 CA PRO A 97 -0.803 13.730 -4.794 1.00 0.00 C ATOM 157 C PRO A 97 0.153 14.913 -4.676 1.00 0.00 C ATOM 158 O PRO A 97 -0.275 16.062 -4.578 1.00 0.00 O ATOM 159 CB PRO A 97 -1.070 13.403 -6.265 1.00 0.00 C ATOM 160 CG PRO A 97 -2.488 12.947 -6.301 1.00 0.00 C ATOM 161 CD PRO A 97 -3.202 13.733 -5.238 1.00 0.00 C ATOM 0 HA PRO A 97 -0.323 12.920 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.919 14.277 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.395 12.627 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.930 13.125 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.559 11.876 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.649 14.642 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.008 13.156 -4.784 1.00 0.00 H new ATOM 169 N ASP A 98 1.450 14.622 -4.686 1.00 0.00 N ATOM 170 CA ASP A 98 2.467 15.661 -4.581 1.00 0.00 C ATOM 171 C ASP A 98 3.848 15.109 -4.920 1.00 0.00 C ATOM 172 O ASP A 98 4.047 13.895 -4.969 1.00 0.00 O ATOM 173 CB ASP A 98 2.475 16.256 -3.171 1.00 0.00 C ATOM 174 CG ASP A 98 2.772 17.741 -3.172 1.00 0.00 C ATOM 175 OD1 ASP A 98 3.703 18.161 -3.892 1.00 0.00 O ATOM 176 OD2 ASP A 98 2.074 18.487 -2.454 1.00 0.00 O ATOM 0 H ASP A 98 1.821 13.675 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 98 2.224 16.445 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.507 16.082 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.220 15.740 -2.566 1.00 0.00 H new ATOM 181 N ALA A 99 4.798 16.009 -5.155 1.00 0.00 N ATOM 182 CA ALA A 99 6.160 15.612 -5.492 1.00 0.00 C ATOM 183 C ALA A 99 6.776 14.767 -4.382 1.00 0.00 C ATOM 184 O ALA A 99 7.536 13.836 -4.646 1.00 0.00 O ATOM 185 CB ALA A 99 7.015 16.842 -5.758 1.00 0.00 C ATOM 0 H ALA A 99 4.649 17.017 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 99 6.123 15.005 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.030 16.533 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.592 17.406 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.037 17.470 -4.867 1.00 0.00 H new ATOM 191 N ASP A 100 6.443 15.098 -3.138 1.00 0.00 N ATOM 192 CA ASP A 100 6.964 14.370 -1.988 1.00 0.00 C ATOM 193 C ASP A 100 6.510 12.914 -2.014 1.00 0.00 C ATOM 194 O ASP A 100 7.233 12.020 -1.575 1.00 0.00 O ATOM 195 CB ASP A 100 6.507 15.034 -0.688 1.00 0.00 C ATOM 196 CG ASP A 100 7.567 14.973 0.395 1.00 0.00 C ATOM 197 OD1 ASP A 100 7.820 13.866 0.916 1.00 0.00 O ATOM 198 OD2 ASP A 100 8.143 16.031 0.724 1.00 0.00 O ATOM 0 H ASP A 100 5.815 15.866 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 100 8.053 14.394 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.252 16.075 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.600 14.545 -0.333 1.00 0.00 H new ATOM 203 N PHE A 101 5.308 12.683 -2.532 1.00 0.00 N ATOM 204 CA PHE A 101 4.757 11.335 -2.617 1.00 0.00 C ATOM 205 C PHE A 101 5.646 10.437 -3.470 1.00 0.00 C ATOM 206 O PHE A 101 6.083 9.376 -3.026 1.00 0.00 O ATOM 207 CB PHE A 101 3.343 11.375 -3.196 1.00 0.00 C ATOM 208 CG PHE A 101 2.392 10.426 -2.524 1.00 0.00 C ATOM 209 CD1 PHE A 101 2.314 9.102 -2.925 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.576 10.859 -1.490 1.00 0.00 C ATOM 211 CE1 PHE A 101 1.440 8.227 -2.308 1.00 0.00 C ATOM 212 CE2 PHE A 101 0.700 9.989 -0.870 1.00 0.00 C ATOM 213 CZ PHE A 101 0.632 8.671 -1.280 1.00 0.00 C ATOM 0 H PHE A 101 4.697 13.412 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 101 4.716 10.921 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.953 12.389 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.388 11.139 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.943 8.750 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.626 11.888 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.389 7.197 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.069 10.338 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.052 7.989 -0.797 1.00 0.00 H new ATOM 223 N ILE A 102 5.910 10.870 -4.699 1.00 0.00 N ATOM 224 CA ILE A 102 6.748 10.105 -5.614 1.00 0.00 C ATOM 225 C ILE A 102 8.190 10.048 -5.119 1.00 0.00 C ATOM 226 O ILE A 102 8.873 9.037 -5.282 1.00 0.00 O ATOM 227 CB ILE A 102 6.726 10.705 -7.034 1.00 0.00 C ATOM 228 CG1 ILE A 102 5.285 10.932 -7.494 1.00 0.00 C ATOM 229 CG2 ILE A 102 7.462 9.795 -8.006 1.00 0.00 C ATOM 230 CD1 ILE A 102 4.438 9.677 -7.472 1.00 0.00 C ATOM 0 H ILE A 102 5.556 11.746 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 102 6.338 9.096 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 102 7.236 11.668 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.822 11.684 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.295 11.336 -8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.437 10.233 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.497 9.681 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.979 8.818 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.429 9.913 -7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.877 8.930 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.397 9.283 -6.456 1.00 0.00 H new ATOM 242 N ARG A 103 8.645 11.141 -4.515 1.00 0.00 N ATOM 243 CA ARG A 103 10.005 11.216 -3.995 1.00 0.00 C ATOM 244 C ARG A 103 10.224 10.181 -2.897 1.00 0.00 C ATOM 245 O ARG A 103 11.159 9.383 -2.959 1.00 0.00 O ATOM 246 CB ARG A 103 10.289 12.623 -3.459 1.00 0.00 C ATOM 247 CG ARG A 103 11.396 13.346 -4.207 1.00 0.00 C ATOM 248 CD ARG A 103 12.599 13.608 -3.313 1.00 0.00 C ATOM 249 NE ARG A 103 13.379 12.395 -3.077 1.00 0.00 N ATOM 250 CZ ARG A 103 14.235 12.249 -2.067 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.424 13.235 -1.199 1.00 0.00 N ATOM 252 NH2 ARG A 103 14.903 11.112 -1.925 1.00 0.00 N ATOM 0 H ARG A 103 8.092 11.986 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 103 10.695 11.001 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.376 13.216 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.559 12.554 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.704 12.751 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.017 14.292 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.235 14.364 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.261 14.013 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 103 13.261 11.615 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.912 14.111 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.081 13.117 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.761 10.351 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.559 10.999 -1.152 1.00 0.00 H new ATOM 266 N LEU A 104 9.356 10.201 -1.891 1.00 0.00 N ATOM 267 CA LEU A 104 9.453 9.263 -0.779 1.00 0.00 C ATOM 268 C LEU A 104 9.304 7.826 -1.263 1.00 0.00 C ATOM 269 O LEU A 104 10.038 6.937 -0.835 1.00 0.00 O ATOM 270 CB LEU A 104 8.384 9.573 0.271 1.00 0.00 C ATOM 271 CG LEU A 104 8.771 10.644 1.293 1.00 0.00 C ATOM 272 CD1 LEU A 104 7.564 11.045 2.128 1.00 0.00 C ATOM 273 CD2 LEU A 104 9.897 10.146 2.187 1.00 0.00 C ATOM 0 H LEU A 104 8.578 10.857 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 104 10.439 9.374 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.476 9.892 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.143 8.654 0.805 1.00 0.00 H new ATOM 0 HG LEU A 104 9.124 11.523 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.858 11.807 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.786 11.443 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.182 10.172 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.159 10.921 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.571 9.252 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.768 9.908 1.577 1.00 0.00 H new ATOM 285 N ALA A 105 8.346 7.605 -2.159 1.00 0.00 N ATOM 286 CA ALA A 105 8.100 6.274 -2.701 1.00 0.00 C ATOM 287 C ALA A 105 9.341 5.725 -3.396 1.00 0.00 C ATOM 288 O ALA A 105 9.720 4.572 -3.192 1.00 0.00 O ATOM 289 CB ALA A 105 6.924 6.308 -3.666 1.00 0.00 C ATOM 0 H ALA A 105 7.729 8.330 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 105 7.858 5.610 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.751 5.308 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.032 6.649 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.146 6.991 -4.486 1.00 0.00 H new ATOM 295 N ALA A 106 9.970 6.558 -4.219 1.00 0.00 N ATOM 296 CA ALA A 106 11.169 6.156 -4.945 1.00 0.00 C ATOM 297 C ALA A 106 12.304 5.815 -3.985 1.00 0.00 C ATOM 298 O ALA A 106 13.092 4.904 -4.240 1.00 0.00 O ATOM 299 CB ALA A 106 11.598 7.256 -5.903 1.00 0.00 C ATOM 0 H ALA A 106 9.669 7.516 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 106 10.933 5.260 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.494 6.943 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 106 10.797 7.449 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 106 11.810 8.166 -5.341 1.00 0.00 H new ATOM 305 N LEU A 107 12.380 6.550 -2.881 1.00 0.00 N ATOM 306 CA LEU A 107 13.416 6.326 -1.883 1.00 0.00 C ATOM 307 C LEU A 107 13.038 5.168 -0.961 1.00 0.00 C ATOM 308 O LEU A 107 13.905 4.450 -0.464 1.00 0.00 O ATOM 309 CB LEU A 107 13.644 7.604 -1.068 1.00 0.00 C ATOM 310 CG LEU A 107 14.412 7.417 0.242 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.789 6.829 -0.025 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.528 8.739 0.985 1.00 0.00 C ATOM 0 H LEU A 107 11.735 7.307 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 107 14.341 6.064 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.185 8.319 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.675 8.048 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 107 13.858 6.719 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.320 6.703 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.683 5.860 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.353 7.501 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 107 15.077 8.587 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.059 9.460 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.531 9.118 1.210 1.00 0.00 H new ATOM 324 N TRP A 108 11.740 4.996 -0.739 1.00 0.00 N ATOM 325 CA TRP A 108 11.247 3.927 0.123 1.00 0.00 C ATOM 326 C TRP A 108 11.399 2.562 -0.546 1.00 0.00 C ATOM 327 O TRP A 108 11.272 1.525 0.106 1.00 0.00 O ATOM 328 CB TRP A 108 9.780 4.171 0.484 1.00 0.00 C ATOM 329 CG TRP A 108 9.581 5.318 1.430 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.547 5.984 2.127 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.336 5.931 1.784 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.980 6.974 2.893 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.623 6.961 2.700 1.00 0.00 C ATOM 334 CE3 TRP A 108 7.005 5.709 1.416 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.629 7.767 3.251 1.00 0.00 C ATOM 336 CZ3 TRP A 108 6.020 6.509 1.964 1.00 0.00 C ATOM 337 CH2 TRP A 108 6.337 7.527 2.873 1.00 0.00 C ATOM 0 H TRP A 108 11.010 5.582 -1.143 1.00 0.00 H new ATOM 0 HA TRP A 108 11.846 3.929 1.034 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.216 4.361 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.368 3.266 0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.604 5.765 2.083 1.00 0.00 H new ATOM 0 HE1 TRP A 108 10.486 7.614 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.751 4.926 0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.870 8.553 3.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.989 6.347 1.687 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.544 8.135 3.284 1.00 0.00 H new ATOM 348 N GLY A 109 11.672 2.564 -1.849 1.00 0.00 N ATOM 349 CA GLY A 109 11.836 1.317 -2.573 1.00 0.00 C ATOM 350 C GLY A 109 10.668 1.024 -3.495 1.00 0.00 C ATOM 351 O GLY A 109 10.141 -0.088 -3.506 1.00 0.00 O ATOM 0 H GLY A 109 11.782 3.406 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 109 12.755 1.358 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.947 0.499 -1.861 1.00 0.00 H new ATOM 355 N VAL A 110 10.265 2.024 -4.272 1.00 0.00 N ATOM 356 CA VAL A 110 9.153 1.866 -5.201 1.00 0.00 C ATOM 357 C VAL A 110 9.421 2.603 -6.509 1.00 0.00 C ATOM 358 O VAL A 110 9.526 3.830 -6.533 1.00 0.00 O ATOM 359 CB VAL A 110 7.835 2.385 -4.594 1.00 0.00 C ATOM 360 CG1 VAL A 110 6.660 2.039 -5.495 1.00 0.00 C ATOM 361 CG2 VAL A 110 7.632 1.818 -3.197 1.00 0.00 C ATOM 0 H VAL A 110 10.691 2.951 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 110 9.057 0.799 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 110 7.894 3.471 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.738 2.413 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.804 2.498 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.595 0.957 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.697 2.195 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.594 0.730 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.460 2.122 -2.557 1.00 0.00 H new ATOM 371 N ALA A 111 9.527 1.847 -7.597 1.00 0.00 N ATOM 372 CA ALA A 111 9.780 2.427 -8.910 1.00 0.00 C ATOM 373 C ALA A 111 8.519 2.409 -9.768 1.00 0.00 C ATOM 374 O ALA A 111 8.183 1.390 -10.373 1.00 0.00 O ATOM 375 CB ALA A 111 10.910 1.684 -9.606 1.00 0.00 C ATOM 0 H ALA A 111 9.441 0.831 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 111 10.078 3.466 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.088 2.128 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.817 1.755 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.636 0.636 -9.727 1.00 0.00 H new ATOM 381 N LEU A 112 7.824 3.539 -9.814 1.00 0.00 N ATOM 382 CA LEU A 112 6.597 3.653 -10.596 1.00 0.00 C ATOM 383 C LEU A 112 6.896 4.108 -12.021 1.00 0.00 C ATOM 384 O LEU A 112 7.430 5.196 -12.236 1.00 0.00 O ATOM 385 CB LEU A 112 5.630 4.632 -9.927 1.00 0.00 C ATOM 386 CG LEU A 112 4.797 4.043 -8.788 1.00 0.00 C ATOM 387 CD1 LEU A 112 4.563 5.084 -7.704 1.00 0.00 C ATOM 388 CD2 LEU A 112 3.472 3.514 -9.316 1.00 0.00 C ATOM 0 H LEU A 112 8.089 4.391 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 112 6.133 2.668 -10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.201 5.476 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.953 5.026 -10.685 1.00 0.00 H new ATOM 0 HG LEU A 112 5.350 3.211 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.968 4.647 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.522 5.416 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.031 5.936 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.892 3.098 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.914 4.328 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.660 2.736 -10.056 1.00 0.00 H new ATOM 400 N ARG A 113 6.547 3.268 -12.990 1.00 0.00 N ATOM 401 CA ARG A 113 6.776 3.584 -14.395 1.00 0.00 C ATOM 402 C ARG A 113 5.564 4.288 -14.998 1.00 0.00 C ATOM 403 O ARG A 113 5.659 5.424 -15.461 1.00 0.00 O ATOM 404 CB ARG A 113 7.085 2.308 -15.182 1.00 0.00 C ATOM 405 CG ARG A 113 8.571 2.091 -15.428 1.00 0.00 C ATOM 406 CD ARG A 113 8.908 2.116 -16.913 1.00 0.00 C ATOM 407 NE ARG A 113 9.412 0.828 -17.382 1.00 0.00 N ATOM 408 CZ ARG A 113 8.632 -0.204 -17.698 1.00 0.00 C ATOM 409 NH1 ARG A 113 7.312 -0.103 -17.598 1.00 0.00 N ATOM 410 NH2 ARG A 113 9.173 -1.340 -18.117 1.00 0.00 N ATOM 0 H ARG A 113 6.105 2.363 -12.828 1.00 0.00 H new ATOM 0 HA ARG A 113 7.632 4.256 -14.457 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.686 1.451 -14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.568 2.348 -16.141 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.141 2.864 -14.913 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.874 1.134 -15.003 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.018 2.386 -17.482 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.654 2.888 -17.102 1.00 0.00 H new ATOM 0 HE ARG A 113 10.421 0.712 -17.473 1.00 0.00 H new ATOM 0 HH11 ARG A 113 6.890 0.769 -17.278 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.720 -0.897 -17.842 1.00 0.00 H new ATOM 0 HH21 ARG A 113 10.186 -1.423 -18.197 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.576 -2.131 -18.359 1.00 0.00 H new ATOM 424 N GLU A 114 4.425 3.603 -14.987 1.00 0.00 N ATOM 425 CA GLU A 114 3.193 4.162 -15.529 1.00 0.00 C ATOM 426 C GLU A 114 2.406 4.898 -14.447 1.00 0.00 C ATOM 427 O GLU A 114 2.682 4.743 -13.257 1.00 0.00 O ATOM 428 CB GLU A 114 2.331 3.053 -16.140 1.00 0.00 C ATOM 429 CG GLU A 114 2.501 2.909 -17.643 1.00 0.00 C ATOM 430 CD GLU A 114 1.800 1.682 -18.194 1.00 0.00 C ATOM 431 OE1 GLU A 114 0.552 1.658 -18.183 1.00 0.00 O ATOM 432 OE2 GLU A 114 2.499 0.746 -18.635 1.00 0.00 O ATOM 0 H GLU A 114 4.330 2.660 -14.609 1.00 0.00 H new ATOM 0 HA GLU A 114 3.459 4.877 -16.308 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.580 2.106 -15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.283 3.255 -15.919 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.110 3.799 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.563 2.854 -17.881 1.00 0.00 H new ATOM 439 N PRO A 115 1.413 5.711 -14.845 1.00 0.00 N ATOM 440 CA PRO A 115 0.587 6.470 -13.899 1.00 0.00 C ATOM 441 C PRO A 115 -0.234 5.560 -12.992 1.00 0.00 C ATOM 442 O PRO A 115 -0.812 4.571 -13.446 1.00 0.00 O ATOM 443 CB PRO A 115 -0.334 7.297 -14.803 1.00 0.00 C ATOM 444 CG PRO A 115 -0.344 6.577 -16.107 1.00 0.00 C ATOM 445 CD PRO A 115 1.014 5.953 -16.243 1.00 0.00 C ATOM 0 HA PRO A 115 1.194 7.075 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -1.338 7.368 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.037 8.316 -14.918 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -1.126 5.818 -16.128 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -0.543 7.263 -16.930 1.00 0.00 H new ATOM 0 HD2 PRO A 115 0.976 5.027 -16.817 1.00 0.00 H new ATOM 0 HD3 PRO A 115 1.713 6.616 -16.753 1.00 0.00 H new ATOM 453 N VAL A 116 -0.282 5.899 -11.708 1.00 0.00 N ATOM 454 CA VAL A 116 -1.031 5.113 -10.735 1.00 0.00 C ATOM 455 C VAL A 116 -2.496 4.988 -11.141 1.00 0.00 C ATOM 456 O VAL A 116 -3.071 5.908 -11.723 1.00 0.00 O ATOM 457 CB VAL A 116 -0.952 5.735 -9.328 1.00 0.00 C ATOM 458 CG1 VAL A 116 -1.547 4.793 -8.293 1.00 0.00 C ATOM 459 CG2 VAL A 116 0.488 6.084 -8.979 1.00 0.00 C ATOM 0 H VAL A 116 0.190 6.714 -11.317 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.576 4.123 -10.712 1.00 0.00 H new ATOM 0 HB VAL A 116 -1.536 6.656 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.482 5.250 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.592 4.599 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.994 3.854 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.525 6.522 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.097 5.180 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.875 6.800 -9.704 1.00 0.00 H new ATOM 469 N THR A 117 -3.097 3.844 -10.830 1.00 0.00 N ATOM 470 CA THR A 117 -4.496 3.599 -11.163 1.00 0.00 C ATOM 471 C THR A 117 -5.414 4.101 -10.052 1.00 0.00 C ATOM 472 O THR A 117 -5.020 4.161 -8.887 1.00 0.00 O ATOM 473 CB THR A 117 -4.734 2.107 -11.405 1.00 0.00 C ATOM 474 OG1 THR A 117 -3.766 1.326 -10.723 1.00 0.00 O ATOM 475 CG2 THR A 117 -4.688 1.724 -12.868 1.00 0.00 C ATOM 0 H THR A 117 -2.637 3.072 -10.348 1.00 0.00 H new ATOM 0 HA THR A 117 -4.727 4.146 -12.077 1.00 0.00 H new ATOM 0 HB THR A 117 -5.737 1.909 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.937 0.375 -10.889 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.864 0.653 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.458 2.272 -13.412 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.709 1.971 -13.278 1.00 0.00 H new ATOM 483 N THR A 118 -6.639 4.459 -10.421 1.00 0.00 N ATOM 484 CA THR A 118 -7.614 4.955 -9.458 1.00 0.00 C ATOM 485 C THR A 118 -7.968 3.878 -8.438 1.00 0.00 C ATOM 486 O THR A 118 -8.180 4.171 -7.260 1.00 0.00 O ATOM 487 CB THR A 118 -8.879 5.427 -10.178 1.00 0.00 C ATOM 488 OG1 THR A 118 -9.801 5.982 -9.257 1.00 0.00 O ATOM 489 CG2 THR A 118 -9.588 4.321 -10.928 1.00 0.00 C ATOM 0 H THR A 118 -6.980 4.415 -11.381 1.00 0.00 H new ATOM 0 HA THR A 118 -7.169 5.798 -8.930 1.00 0.00 H new ATOM 0 HB THR A 118 -8.542 6.173 -10.898 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.603 6.280 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.476 4.723 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.918 3.904 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.881 3.537 -10.229 1.00 0.00 H new ATOM 497 N GLU A 119 -8.030 2.633 -8.896 1.00 0.00 N ATOM 498 CA GLU A 119 -8.359 1.512 -8.023 1.00 0.00 C ATOM 499 C GLU A 119 -7.340 1.385 -6.894 1.00 0.00 C ATOM 500 O GLU A 119 -7.688 1.023 -5.770 1.00 0.00 O ATOM 501 CB GLU A 119 -8.413 0.211 -8.826 1.00 0.00 C ATOM 502 CG GLU A 119 -7.092 -0.153 -9.485 1.00 0.00 C ATOM 503 CD GLU A 119 -7.275 -0.724 -10.878 1.00 0.00 C ATOM 504 OE1 GLU A 119 -8.166 -1.580 -11.056 1.00 0.00 O ATOM 505 OE2 GLU A 119 -6.525 -0.315 -11.789 1.00 0.00 O ATOM 0 H GLU A 119 -7.857 2.374 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.339 1.700 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.716 -0.601 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.181 0.300 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.461 0.734 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.568 -0.880 -8.864 1.00 0.00 H new ATOM 512 N GLU A 120 -6.083 1.685 -7.201 1.00 0.00 N ATOM 513 CA GLU A 120 -5.015 1.604 -6.212 1.00 0.00 C ATOM 514 C GLU A 120 -5.110 2.753 -5.213 1.00 0.00 C ATOM 515 O GLU A 120 -4.956 2.556 -4.008 1.00 0.00 O ATOM 516 CB GLU A 120 -3.649 1.625 -6.903 1.00 0.00 C ATOM 517 CG GLU A 120 -2.623 0.714 -6.251 1.00 0.00 C ATOM 518 CD GLU A 120 -1.649 0.123 -7.252 1.00 0.00 C ATOM 519 OE1 GLU A 120 -2.080 -0.206 -8.376 1.00 0.00 O ATOM 520 OE2 GLU A 120 -0.455 -0.010 -6.910 1.00 0.00 O ATOM 0 H GLU A 120 -5.779 1.986 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.126 0.665 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.774 1.330 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.267 2.646 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.069 1.276 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.138 -0.093 -5.730 1.00 0.00 H new ATOM 527 N LEU A 121 -5.366 3.953 -5.724 1.00 0.00 N ATOM 528 CA LEU A 121 -5.483 5.135 -4.879 1.00 0.00 C ATOM 529 C LEU A 121 -6.717 5.046 -3.985 1.00 0.00 C ATOM 530 O LEU A 121 -6.633 5.241 -2.772 1.00 0.00 O ATOM 531 CB LEU A 121 -5.550 6.399 -5.743 1.00 0.00 C ATOM 532 CG LEU A 121 -4.328 7.314 -5.648 1.00 0.00 C ATOM 533 CD1 LEU A 121 -4.240 7.946 -4.268 1.00 0.00 C ATOM 534 CD2 LEU A 121 -3.057 6.540 -5.965 1.00 0.00 C ATOM 0 H LEU A 121 -5.496 4.132 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.600 5.186 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.683 6.103 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.435 6.969 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.437 8.111 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.364 8.593 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.138 8.535 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.155 7.163 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.198 7.206 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.942 5.722 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.119 6.137 -6.976 1.00 0.00 H new ATOM 546 N ALA A 122 -7.861 4.750 -4.594 1.00 0.00 N ATOM 547 CA ALA A 122 -9.112 4.635 -3.854 1.00 0.00 C ATOM 548 C ALA A 122 -9.071 3.463 -2.879 1.00 0.00 C ATOM 549 O ALA A 122 -9.629 3.534 -1.784 1.00 0.00 O ATOM 550 CB ALA A 122 -10.281 4.484 -4.817 1.00 0.00 C ATOM 0 H ALA A 122 -7.947 4.586 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.247 5.548 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.209 4.399 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.331 5.357 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.141 3.588 -5.422 1.00 0.00 H new ATOM 556 N SER A 123 -8.407 2.386 -3.284 1.00 0.00 N ATOM 557 CA SER A 123 -8.293 1.198 -2.445 1.00 0.00 C ATOM 558 C SER A 123 -7.565 1.517 -1.144 1.00 0.00 C ATOM 559 O SER A 123 -8.015 1.142 -0.061 1.00 0.00 O ATOM 560 CB SER A 123 -7.558 0.086 -3.195 1.00 0.00 C ATOM 561 OG SER A 123 -7.262 -1.000 -2.335 1.00 0.00 O ATOM 0 H SER A 123 -7.940 2.311 -4.188 1.00 0.00 H new ATOM 0 HA SER A 123 -9.300 0.859 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.170 -0.262 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.635 0.479 -3.621 1.00 0.00 H new ATOM 0 HG SER A 123 -6.794 -1.698 -2.839 1.00 0.00 H new ATOM 567 N PHE A 124 -6.438 2.212 -1.257 1.00 0.00 N ATOM 568 CA PHE A 124 -5.647 2.581 -0.089 1.00 0.00 C ATOM 569 C PHE A 124 -6.435 3.502 0.836 1.00 0.00 C ATOM 570 O PHE A 124 -6.434 3.324 2.053 1.00 0.00 O ATOM 571 CB PHE A 124 -4.349 3.264 -0.522 1.00 0.00 C ATOM 572 CG PHE A 124 -3.187 2.975 0.384 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.130 3.526 1.655 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.153 2.155 -0.034 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.062 3.261 2.492 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.082 1.887 0.798 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.036 2.441 2.062 1.00 0.00 C ATOM 0 H PHE A 124 -6.052 2.531 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.406 1.669 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.099 2.943 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.510 4.341 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.928 4.169 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.183 1.719 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.030 3.694 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.282 1.245 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.200 2.234 2.713 1.00 0.00 H new ATOM 587 N ILE A 125 -7.107 4.487 0.250 1.00 0.00 N ATOM 588 CA ILE A 125 -7.900 5.437 1.021 1.00 0.00 C ATOM 589 C ILE A 125 -9.142 4.770 1.604 1.00 0.00 C ATOM 590 O ILE A 125 -9.630 5.162 2.665 1.00 0.00 O ATOM 591 CB ILE A 125 -8.330 6.640 0.160 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.118 7.252 -0.544 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.032 7.684 1.018 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.479 8.094 -1.747 1.00 0.00 C ATOM 0 H ILE A 125 -7.118 4.648 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.267 5.792 1.834 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.030 6.290 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.567 7.867 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.448 6.452 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.329 8.527 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -9.917 7.243 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.353 8.031 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.571 8.496 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.003 7.478 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.124 8.916 -1.436 1.00 0.00 H new ATOM 606 N ALA A 126 -9.649 3.760 0.905 1.00 0.00 N ATOM 607 CA ALA A 126 -10.834 3.038 1.354 1.00 0.00 C ATOM 608 C ALA A 126 -10.570 2.316 2.671 1.00 0.00 C ATOM 609 O ALA A 126 -11.334 2.447 3.627 1.00 0.00 O ATOM 610 CB ALA A 126 -11.285 2.051 0.289 1.00 0.00 C ATOM 0 H ALA A 126 -9.258 3.423 0.025 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.630 3.763 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.170 1.519 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.523 2.589 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.486 1.336 0.094 1.00 0.00 H new ATOM 616 N TYR A 127 -9.483 1.552 2.713 1.00 0.00 N ATOM 617 CA TYR A 127 -9.117 0.808 3.912 1.00 0.00 C ATOM 618 C TYR A 127 -8.649 1.751 5.016 1.00 0.00 C ATOM 619 O TYR A 127 -8.860 1.490 6.201 1.00 0.00 O ATOM 620 CB TYR A 127 -8.017 -0.207 3.593 1.00 0.00 C ATOM 621 CG TYR A 127 -8.074 -1.452 4.449 1.00 0.00 C ATOM 622 CD1 TYR A 127 -9.067 -2.404 4.258 1.00 0.00 C ATOM 623 CD2 TYR A 127 -7.134 -1.676 5.447 1.00 0.00 C ATOM 624 CE1 TYR A 127 -9.124 -3.544 5.037 1.00 0.00 C ATOM 625 CE2 TYR A 127 -7.183 -2.812 6.230 1.00 0.00 C ATOM 626 CZ TYR A 127 -8.178 -3.743 6.022 1.00 0.00 C ATOM 627 OH TYR A 127 -8.230 -4.876 6.801 1.00 0.00 O ATOM 0 H TYR A 127 -8.840 1.432 1.930 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.002 0.277 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.092 -0.494 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.046 0.270 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.808 -2.251 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.352 -0.950 5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.903 -4.274 4.876 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.445 -2.971 7.002 1.00 0.00 H new ATOM 0 HH TYR A 127 -7.492 -4.864 7.446 1.00 0.00 H new ATOM 637 N TRP A 128 -8.014 2.849 4.619 1.00 0.00 N ATOM 638 CA TRP A 128 -7.516 3.832 5.574 1.00 0.00 C ATOM 639 C TRP A 128 -8.672 4.517 6.298 1.00 0.00 C ATOM 640 O TRP A 128 -8.658 4.651 7.521 1.00 0.00 O ATOM 641 CB TRP A 128 -6.646 4.870 4.856 1.00 0.00 C ATOM 642 CG TRP A 128 -6.284 6.054 5.705 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.209 7.356 5.301 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.946 6.047 7.098 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.846 8.158 6.354 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.680 7.378 7.469 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.844 5.046 8.069 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.318 7.733 8.766 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.484 5.399 9.356 1.00 0.00 C ATOM 650 CH2 TRP A 128 -5.225 6.733 9.694 1.00 0.00 C ATOM 0 H TRP A 128 -7.832 3.080 3.642 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.908 3.315 6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.730 4.388 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.173 5.220 3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.407 7.704 4.298 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.720 9.169 6.314 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -6.043 4.015 7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.118 8.761 9.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.401 4.633 10.113 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.946 6.977 10.708 1.00 0.00 H new ATOM 661 N GLN A 129 -9.671 4.947 5.535 1.00 0.00 N ATOM 662 CA GLN A 129 -10.834 5.617 6.104 1.00 0.00 C ATOM 663 C GLN A 129 -11.771 4.611 6.764 1.00 0.00 C ATOM 664 O GLN A 129 -12.408 4.911 7.775 1.00 0.00 O ATOM 665 CB GLN A 129 -11.583 6.395 5.020 1.00 0.00 C ATOM 666 CG GLN A 129 -12.344 7.598 5.551 1.00 0.00 C ATOM 667 CD GLN A 129 -13.220 8.246 4.497 1.00 0.00 C ATOM 668 OE1 GLN A 129 -14.412 8.466 4.712 1.00 0.00 O ATOM 669 NE2 GLN A 129 -12.631 8.556 3.347 1.00 0.00 N ATOM 0 H GLN A 129 -9.699 4.843 4.521 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.484 6.315 6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -10.870 6.730 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.282 5.724 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -12.963 7.289 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.635 8.333 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -11.640 8.356 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -13.170 8.994 2.600 1.00 0.00 H new ATOM 678 N ALA A 130 -11.852 3.418 6.186 1.00 0.00 N ATOM 679 CA ALA A 130 -12.711 2.367 6.718 1.00 0.00 C ATOM 680 C ALA A 130 -12.232 1.911 8.092 1.00 0.00 C ATOM 681 O ALA A 130 -13.036 1.567 8.958 1.00 0.00 O ATOM 682 CB ALA A 130 -12.760 1.189 5.758 1.00 0.00 C ATOM 0 H ALA A 130 -11.333 3.154 5.348 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.716 2.774 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.405 0.412 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.155 1.519 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -11.755 0.791 5.619 1.00 0.00 H new ATOM 688 N GLU A 131 -10.917 1.912 8.285 1.00 0.00 N ATOM 689 CA GLU A 131 -10.332 1.498 9.555 1.00 0.00 C ATOM 690 C GLU A 131 -10.572 2.550 10.633 1.00 0.00 C ATOM 691 O GLU A 131 -10.950 2.225 11.758 1.00 0.00 O ATOM 692 CB GLU A 131 -8.830 1.252 9.391 1.00 0.00 C ATOM 693 CG GLU A 131 -8.494 -0.137 8.873 1.00 0.00 C ATOM 694 CD GLU A 131 -7.181 -0.661 9.422 1.00 0.00 C ATOM 695 OE1 GLU A 131 -7.135 -1.010 10.620 1.00 0.00 O ATOM 696 OE2 GLU A 131 -6.199 -0.722 8.652 1.00 0.00 O ATOM 0 H GLU A 131 -10.237 2.195 7.579 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.814 0.571 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.421 1.995 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.339 1.401 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.296 -0.825 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.445 -0.113 7.784 1.00 0.00 H new ATOM 703 N GLY A 132 -10.348 3.812 10.281 1.00 0.00 N ATOM 704 CA GLY A 132 -10.546 4.892 11.231 1.00 0.00 C ATOM 705 C GLY A 132 -9.677 4.745 12.464 1.00 0.00 C ATOM 706 O GLY A 132 -10.152 4.908 13.588 1.00 0.00 O ATOM 0 H GLY A 132 -10.033 4.106 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.326 5.843 10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.594 4.921 11.530 1.00 0.00 H new ATOM 710 N LYS A 133 -8.402 4.434 12.254 1.00 0.00 N ATOM 711 CA LYS A 133 -7.464 4.263 13.357 1.00 0.00 C ATOM 712 C LYS A 133 -6.216 5.117 13.147 1.00 0.00 C ATOM 713 O LYS A 133 -6.203 6.019 12.310 1.00 0.00 O ATOM 714 CB LYS A 133 -7.076 2.789 13.497 1.00 0.00 C ATOM 715 CG LYS A 133 -7.109 2.284 14.931 1.00 0.00 C ATOM 716 CD LYS A 133 -6.510 0.892 15.046 1.00 0.00 C ATOM 717 CE LYS A 133 -5.636 0.762 16.284 1.00 0.00 C ATOM 718 NZ LYS A 133 -4.553 -0.242 16.096 1.00 0.00 N ATOM 0 H LYS A 133 -7.995 4.295 11.329 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.953 4.590 14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -7.752 2.185 12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -6.074 2.646 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -6.559 2.972 15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -8.139 2.269 15.289 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.310 0.153 15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -5.918 0.675 14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -5.196 1.731 16.521 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -6.253 0.475 17.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -3.980 -0.301 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -4.973 -1.172 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -3.949 0.044 15.300 1.00 0.00 H new ATOM 732 N VAL A 134 -5.170 4.828 13.915 1.00 0.00 N ATOM 733 CA VAL A 134 -3.920 5.567 13.814 1.00 0.00 C ATOM 734 C VAL A 134 -2.747 4.628 13.551 1.00 0.00 C ATOM 735 O VAL A 134 -2.692 3.523 14.091 1.00 0.00 O ATOM 736 CB VAL A 134 -3.637 6.374 15.097 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.504 7.360 14.868 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.893 7.095 15.564 1.00 0.00 C ATOM 0 H VAL A 134 -5.165 4.086 14.615 1.00 0.00 H new ATOM 0 HA VAL A 134 -4.028 6.256 12.976 1.00 0.00 H new ATOM 0 HB VAL A 134 -3.332 5.680 15.880 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.319 7.920 15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.602 6.818 14.585 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.778 8.050 14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.673 7.659 16.471 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -5.231 7.778 14.785 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.676 6.365 15.772 1.00 0.00 H new ATOM 748 N PHE A 135 -1.812 5.076 12.720 1.00 0.00 N ATOM 749 CA PHE A 135 -0.640 4.274 12.386 1.00 0.00 C ATOM 750 C PHE A 135 0.641 5.080 12.575 1.00 0.00 C ATOM 751 O PHE A 135 0.598 6.292 12.785 1.00 0.00 O ATOM 752 CB PHE A 135 -0.729 3.772 10.943 1.00 0.00 C ATOM 753 CG PHE A 135 -2.053 3.149 10.599 1.00 0.00 C ATOM 754 CD1 PHE A 135 -2.689 2.301 11.490 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.657 3.412 9.380 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.906 1.727 11.172 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.873 2.841 9.057 1.00 0.00 C ATOM 758 CZ PHE A 135 -4.499 1.997 9.954 1.00 0.00 C ATOM 0 H PHE A 135 -1.842 5.989 12.266 1.00 0.00 H new ATOM 0 HA PHE A 135 -0.615 3.417 13.060 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -0.543 4.606 10.266 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.061 3.041 10.773 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -2.230 2.086 12.443 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -2.172 4.071 8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -4.393 1.068 11.876 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -4.334 3.054 8.104 1.00 0.00 H new ATOM 0 HZ PHE A 135 -5.449 1.550 9.704 1.00 0.00 H new ATOM 768 N HIS A 136 1.780 4.399 12.495 1.00 0.00 N ATOM 769 CA HIS A 136 3.073 5.052 12.654 1.00 0.00 C ATOM 770 C HIS A 136 3.684 5.386 11.297 1.00 0.00 C ATOM 771 O HIS A 136 3.279 4.837 10.272 1.00 0.00 O ATOM 772 CB HIS A 136 4.025 4.157 13.451 1.00 0.00 C ATOM 773 CG HIS A 136 4.100 4.508 14.904 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.105 5.285 15.440 1.00 0.00 N ATOM 775 CD2 HIS A 136 3.285 4.186 15.937 1.00 0.00 C ATOM 776 CE1 HIS A 136 4.907 5.424 16.739 1.00 0.00 C ATOM 777 NE2 HIS A 136 3.809 4.768 17.065 1.00 0.00 N ATOM 0 H HIS A 136 1.833 3.395 12.321 1.00 0.00 H new ATOM 0 HA HIS A 136 2.918 5.982 13.200 1.00 0.00 H new ATOM 0 HB2 HIS A 136 3.704 3.120 13.352 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.023 4.225 13.017 1.00 0.00 H new ATOM 0 HD2 HIS A 136 2.390 3.584 15.883 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.536 5.980 17.418 1.00 0.00 H new ATOM 0 HE2 HIS A 136 3.414 4.704 18.003 1.00 0.00 H new ATOM 786 N HIS A 137 4.659 6.289 11.296 1.00 0.00 N ATOM 787 CA HIS A 137 5.325 6.695 10.064 1.00 0.00 C ATOM 788 C HIS A 137 5.981 5.499 9.381 1.00 0.00 C ATOM 789 O HIS A 137 5.868 5.324 8.168 1.00 0.00 O ATOM 790 CB HIS A 137 6.373 7.770 10.355 1.00 0.00 C ATOM 791 CG HIS A 137 7.401 7.347 11.359 1.00 0.00 C ATOM 792 ND1 HIS A 137 7.320 7.202 12.703 1.00 0.00 N flip ATOM 793 CD2 HIS A 137 8.695 7.017 11.018 1.00 0.00 C flip ATOM 794 CE1 HIS A 137 8.553 6.790 13.143 1.00 0.00 C flip ATOM 795 NE2 HIS A 137 9.365 6.685 12.107 1.00 0.00 N flip ATOM 0 H HIS A 137 5.006 6.754 12.135 1.00 0.00 H new ATOM 0 HA HIS A 137 4.572 7.106 9.392 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.874 8.039 9.425 1.00 0.00 H new ATOM 0 HB3 HIS A 137 5.871 8.667 10.717 1.00 0.00 H new ATOM 0 HD2 HIS A 137 9.098 7.028 10.016 1.00 0.00 H new ATOM 0 HE1 HIS A 137 8.816 6.585 14.170 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.343 6.397 12.142 1.00 0.00 H new ATOM 804 N VAL A 138 6.671 4.680 10.168 1.00 0.00 N ATOM 805 CA VAL A 138 7.345 3.501 9.640 1.00 0.00 C ATOM 806 C VAL A 138 6.352 2.542 8.994 1.00 0.00 C ATOM 807 O VAL A 138 6.671 1.871 8.012 1.00 0.00 O ATOM 808 CB VAL A 138 8.118 2.754 10.743 1.00 0.00 C ATOM 809 CG1 VAL A 138 8.974 1.650 10.142 1.00 0.00 C ATOM 810 CG2 VAL A 138 8.972 3.723 11.547 1.00 0.00 C ATOM 0 H VAL A 138 6.778 4.812 11.174 1.00 0.00 H new ATOM 0 HA VAL A 138 8.050 3.852 8.886 1.00 0.00 H new ATOM 0 HB VAL A 138 7.396 2.295 11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 138 9.512 1.134 10.937 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.336 0.940 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 138 9.688 2.084 9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 138 9.511 3.177 12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 138 9.686 4.214 10.886 1.00 0.00 H new ATOM 0 HG23 VAL A 138 8.332 4.474 12.011 1.00 0.00 H new ATOM 820 N GLN A 139 5.147 2.483 9.550 1.00 0.00 N ATOM 821 CA GLN A 139 4.106 1.605 9.027 1.00 0.00 C ATOM 822 C GLN A 139 3.646 2.068 7.650 1.00 0.00 C ATOM 823 O GLN A 139 3.476 1.263 6.735 1.00 0.00 O ATOM 824 CB GLN A 139 2.917 1.560 9.987 1.00 0.00 C ATOM 825 CG GLN A 139 3.270 1.036 11.370 1.00 0.00 C ATOM 826 CD GLN A 139 2.956 -0.439 11.533 1.00 0.00 C ATOM 827 OE1 GLN A 139 2.052 -0.813 12.280 1.00 0.00 O ATOM 828 NE2 GLN A 139 3.701 -1.284 10.831 1.00 0.00 N ATOM 0 H GLN A 139 4.867 3.032 10.362 1.00 0.00 H new ATOM 0 HA GLN A 139 4.524 0.603 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 139 2.500 2.563 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.138 0.931 9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 139 4.331 1.200 11.557 1.00 0.00 H new ATOM 0 HG3 GLN A 139 2.722 1.605 12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 139 4.440 -0.929 10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 139 3.534 -2.288 10.899 1.00 0.00 H new ATOM 837 N TRP A 140 3.446 3.372 7.513 1.00 0.00 N ATOM 838 CA TRP A 140 3.004 3.952 6.249 1.00 0.00 C ATOM 839 C TRP A 140 4.070 3.785 5.171 1.00 0.00 C ATOM 840 O TRP A 140 3.757 3.668 3.986 1.00 0.00 O ATOM 841 CB TRP A 140 2.677 5.435 6.432 1.00 0.00 C ATOM 842 CG TRP A 140 1.691 5.955 5.432 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.362 5.649 5.356 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.954 6.872 4.364 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.216 6.320 4.306 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.740 7.077 3.681 1.00 0.00 C ATOM 847 CE3 TRP A 140 3.098 7.539 3.918 1.00 0.00 C ATOM 848 CZ2 TRP A 140 0.638 7.921 2.578 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.997 8.377 2.823 1.00 0.00 C ATOM 850 CH2 TRP A 140 1.774 8.561 2.165 1.00 0.00 C ATOM 0 H TRP A 140 3.583 4.050 8.262 1.00 0.00 H new ATOM 0 HA TRP A 140 2.105 3.424 5.931 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.282 5.591 7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.598 6.014 6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -0.158 4.978 6.024 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.198 6.264 4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.044 7.402 4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.303 8.065 2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.875 8.898 2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.727 9.223 1.313 1.00 0.00 H new ATOM 861 N GLN A 141 5.332 3.776 5.590 1.00 0.00 N ATOM 862 CA GLN A 141 6.446 3.626 4.662 1.00 0.00 C ATOM 863 C GLN A 141 6.490 2.216 4.080 1.00 0.00 C ATOM 864 O GLN A 141 6.596 2.038 2.867 1.00 0.00 O ATOM 865 CB GLN A 141 7.766 3.941 5.369 1.00 0.00 C ATOM 866 CG GLN A 141 8.990 3.780 4.481 1.00 0.00 C ATOM 867 CD GLN A 141 10.287 3.836 5.262 1.00 0.00 C ATOM 868 OE1 GLN A 141 11.136 2.952 5.141 1.00 0.00 O ATOM 869 NE2 GLN A 141 10.448 4.877 6.071 1.00 0.00 N ATOM 0 H GLN A 141 5.608 3.871 6.567 1.00 0.00 H new ATOM 0 HA GLN A 141 6.301 4.329 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 141 7.732 4.964 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.869 3.288 6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 141 8.929 2.828 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.991 4.565 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 141 9.719 5.587 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.301 4.967 6.623 1.00 0.00 H new ATOM 878 N GLN A 142 6.413 1.218 4.954 1.00 0.00 N ATOM 879 CA GLN A 142 6.450 -0.177 4.526 1.00 0.00 C ATOM 880 C GLN A 142 5.129 -0.594 3.885 1.00 0.00 C ATOM 881 O GLN A 142 5.113 -1.307 2.882 1.00 0.00 O ATOM 882 CB GLN A 142 6.762 -1.087 5.716 1.00 0.00 C ATOM 883 CG GLN A 142 8.110 -0.807 6.359 1.00 0.00 C ATOM 884 CD GLN A 142 8.291 -1.541 7.674 1.00 0.00 C ATOM 885 OE1 GLN A 142 7.318 -1.885 8.345 1.00 0.00 O ATOM 886 NE2 GLN A 142 9.542 -1.783 8.049 1.00 0.00 N ATOM 0 H GLN A 142 6.325 1.348 5.962 1.00 0.00 H new ATOM 0 HA GLN A 142 7.238 -0.278 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 142 5.980 -0.971 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 142 6.735 -2.125 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.904 -1.099 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.212 0.265 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 142 10.318 -1.480 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 142 9.726 -2.272 8.925 1.00 0.00 H new ATOM 895 N LYS A 143 4.023 -0.150 4.474 1.00 0.00 N ATOM 896 CA LYS A 143 2.698 -0.484 3.961 1.00 0.00 C ATOM 897 C LYS A 143 2.528 -0.008 2.521 1.00 0.00 C ATOM 898 O LYS A 143 2.180 -0.790 1.636 1.00 0.00 O ATOM 899 CB LYS A 143 1.616 0.136 4.846 1.00 0.00 C ATOM 900 CG LYS A 143 1.339 -0.655 6.114 1.00 0.00 C ATOM 901 CD LYS A 143 0.507 -1.895 5.828 1.00 0.00 C ATOM 902 CE LYS A 143 -0.967 -1.553 5.675 1.00 0.00 C ATOM 903 NZ LYS A 143 -1.844 -2.685 6.080 1.00 0.00 N ATOM 0 H LYS A 143 4.017 0.441 5.305 1.00 0.00 H new ATOM 0 HA LYS A 143 2.596 -1.569 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.916 1.148 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 143 0.693 0.221 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.283 -0.947 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.816 -0.023 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 143 0.867 -2.374 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 143 0.633 -2.614 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -1.201 -0.678 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -1.172 -1.288 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.840 -2.412 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -1.639 -3.513 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -1.667 -2.922 7.077 1.00 0.00 H new ATOM 917 N LEU A 144 2.773 1.279 2.293 1.00 0.00 N ATOM 918 CA LEU A 144 2.642 1.856 0.960 1.00 0.00 C ATOM 919 C LEU A 144 3.737 1.344 0.029 1.00 0.00 C ATOM 920 O LEU A 144 3.521 1.187 -1.171 1.00 0.00 O ATOM 921 CB LEU A 144 2.692 3.384 1.037 1.00 0.00 C ATOM 922 CG LEU A 144 1.671 4.108 0.154 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.785 5.018 0.991 1.00 0.00 C ATOM 924 CD2 LEU A 144 2.375 4.905 -0.935 1.00 0.00 C ATOM 0 H LEU A 144 3.063 1.941 3.013 1.00 0.00 H new ATOM 0 HA LEU A 144 1.678 1.550 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.534 3.686 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.692 3.715 0.757 1.00 0.00 H new ATOM 0 HG LEU A 144 1.039 3.358 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.067 5.522 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.250 4.424 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.402 5.761 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.633 5.412 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 144 3.033 5.644 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 144 2.964 4.230 -1.557 1.00 0.00 H new ATOM 936 N ALA A 145 4.914 1.086 0.591 1.00 0.00 N ATOM 937 CA ALA A 145 6.041 0.594 -0.191 1.00 0.00 C ATOM 938 C ALA A 145 5.771 -0.810 -0.724 1.00 0.00 C ATOM 939 O ALA A 145 5.784 -1.038 -1.933 1.00 0.00 O ATOM 940 CB ALA A 145 7.310 0.606 0.647 1.00 0.00 C ATOM 0 H ALA A 145 5.111 1.210 1.584 1.00 0.00 H new ATOM 0 HA ALA A 145 6.175 1.258 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 145 8.144 0.236 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.521 1.624 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 145 7.176 -0.034 1.519 1.00 0.00 H new ATOM 946 N ARG A 146 5.525 -1.745 0.187 1.00 0.00 N ATOM 947 CA ARG A 146 5.252 -3.126 -0.192 1.00 0.00 C ATOM 948 C ARG A 146 3.941 -3.233 -0.967 1.00 0.00 C ATOM 949 O ARG A 146 3.754 -4.151 -1.766 1.00 0.00 O ATOM 950 CB ARG A 146 5.200 -4.017 1.053 1.00 0.00 C ATOM 951 CG ARG A 146 6.372 -4.980 1.159 1.00 0.00 C ATOM 952 CD ARG A 146 6.071 -6.120 2.118 1.00 0.00 C ATOM 953 NE ARG A 146 4.975 -6.960 1.645 1.00 0.00 N ATOM 954 CZ ARG A 146 4.760 -8.206 2.064 1.00 0.00 C ATOM 955 NH1 ARG A 146 5.563 -8.760 2.964 1.00 0.00 N ATOM 956 NH2 ARG A 146 3.739 -8.901 1.580 1.00 0.00 N ATOM 0 H ARG A 146 5.509 -1.572 1.192 1.00 0.00 H new ATOM 0 HA ARG A 146 6.061 -3.465 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.177 -3.386 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.271 -4.587 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 146 6.603 -5.384 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 146 7.257 -4.442 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.965 -6.730 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.819 -5.713 3.097 1.00 0.00 H new ATOM 0 HE ARG A 146 4.336 -6.570 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 146 6.350 -8.231 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 146 5.393 -9.715 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 146 3.119 -8.481 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 146 3.574 -9.855 1.901 1.00 0.00 H new ATOM 970 N SER A 147 3.034 -2.291 -0.726 1.00 0.00 N ATOM 971 CA SER A 147 1.743 -2.284 -1.402 1.00 0.00 C ATOM 972 C SER A 147 1.885 -1.828 -2.849 1.00 0.00 C ATOM 973 O SER A 147 1.179 -2.310 -3.735 1.00 0.00 O ATOM 974 CB SER A 147 0.762 -1.373 -0.663 1.00 0.00 C ATOM 975 OG SER A 147 -0.492 -1.331 -1.321 1.00 0.00 O ATOM 0 H SER A 147 3.170 -1.524 -0.068 1.00 0.00 H new ATOM 0 HA SER A 147 1.357 -3.303 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.628 -1.730 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.175 -0.366 -0.597 1.00 0.00 H new ATOM 0 HG SER A 147 -1.101 -0.743 -0.827 1.00 0.00 H new ATOM 981 N LEU A 148 2.801 -0.894 -3.084 1.00 0.00 N ATOM 982 CA LEU A 148 3.032 -0.370 -4.425 1.00 0.00 C ATOM 983 C LEU A 148 3.863 -1.341 -5.259 1.00 0.00 C ATOM 984 O LEU A 148 3.487 -1.692 -6.378 1.00 0.00 O ATOM 985 CB LEU A 148 3.733 0.988 -4.351 1.00 0.00 C ATOM 986 CG LEU A 148 2.797 2.196 -4.299 1.00 0.00 C ATOM 987 CD1 LEU A 148 3.575 3.462 -3.972 1.00 0.00 C ATOM 988 CD2 LEU A 148 2.054 2.351 -5.617 1.00 0.00 C ATOM 0 H LEU A 148 3.395 -0.485 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 148 2.063 -0.246 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.371 1.003 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 148 4.386 1.091 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 148 2.065 2.030 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.892 4.311 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 148 4.061 3.350 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 148 4.330 3.633 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 148 1.392 3.215 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 148 2.772 2.494 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 148 1.465 1.455 -5.810 1.00 0.00 H new ATOM 1000 N GLN A 149 4.996 -1.769 -4.711 1.00 0.00 N ATOM 1001 CA GLN A 149 5.878 -2.697 -5.410 1.00 0.00 C ATOM 1002 C GLN A 149 5.158 -4.006 -5.722 1.00 0.00 C ATOM 1003 O GLN A 149 5.253 -4.528 -6.832 1.00 0.00 O ATOM 1004 CB GLN A 149 7.133 -2.971 -4.577 1.00 0.00 C ATOM 1005 CG GLN A 149 6.861 -3.747 -3.298 1.00 0.00 C ATOM 1006 CD GLN A 149 8.026 -3.696 -2.329 1.00 0.00 C ATOM 1007 OE1 GLN A 149 8.651 -4.716 -2.037 1.00 0.00 O ATOM 1008 NE2 GLN A 149 8.324 -2.504 -1.824 1.00 0.00 N ATOM 0 H GLN A 149 5.324 -1.489 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 149 6.173 -2.236 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 149 7.847 -3.528 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 149 7.604 -2.021 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 149 5.972 -3.343 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 149 6.644 -4.786 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 149 7.779 -1.685 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 149 9.098 -2.408 -1.166 1.00 0.00 H new ATOM 1017 N ILE A 150 4.437 -4.532 -4.736 1.00 0.00 N ATOM 1018 CA ILE A 150 3.701 -5.778 -4.910 1.00 0.00 C ATOM 1019 C ILE A 150 2.377 -5.541 -5.628 1.00 0.00 C ATOM 1020 O ILE A 150 1.822 -6.450 -6.244 1.00 0.00 O ATOM 1021 CB ILE A 150 3.429 -6.467 -3.558 1.00 0.00 C ATOM 1022 CG1 ILE A 150 4.730 -6.619 -2.767 1.00 0.00 C ATOM 1023 CG2 ILE A 150 2.773 -7.823 -3.774 1.00 0.00 C ATOM 1024 CD1 ILE A 150 4.541 -7.266 -1.412 1.00 0.00 C ATOM 0 H ILE A 150 4.347 -4.115 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 150 4.327 -6.431 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 150 2.745 -5.843 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.433 -7.214 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 150 5.181 -5.636 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.588 -8.296 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 150 1.828 -7.690 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 150 3.433 -8.456 -4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.504 -7.342 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.863 -6.660 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 150 4.119 -8.263 -1.540 1.00 0.00 H new ATOM 1036 N GLY A 151 1.876 -4.315 -5.543 1.00 0.00 N ATOM 1037 CA GLY A 151 0.622 -3.978 -6.190 1.00 0.00 C ATOM 1038 C GLY A 151 0.793 -3.674 -7.665 1.00 0.00 C ATOM 1039 O GLY A 151 -0.128 -3.872 -8.458 1.00 0.00 O ATOM 0 H GLY A 151 2.316 -3.547 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -0.078 -4.805 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 151 0.181 -3.114 -5.693 1.00 0.00 H new