USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -48:sc= 0.835 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -118:sc= 0 (180deg=-0.228) USER MOD Set 2.2: A 46 THR OG1 : rot -100:sc= 0.0858 USER MOD Set 2.3: A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1 K(o=1,f=-5.7!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0434) USER MOD Single : A 25 ASN : amide:sc= 0.0478 X(o=0.048,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0729) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.263 F(o=-1.1,f=-0.26) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0675 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.2 K(o=-2.2,f=-8.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 64:sc= 0.0679 USER MOD Single : A 43 MET CE :methyl -135:sc= 0 (180deg=-0.000113) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0.368 (180deg=0.0555) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.141 (180deg=0.107) USER MOD Single : A 48 TYR OH : rot -155:sc= 0.0365 USER MOD Single : A 50 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.016) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 1 K(o=1,f=-6.4!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -74:sc= 1.26 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.767 K(o=0.77,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.371 -5.910 -14.171 1.00 0.00 N ATOM 2 CA MET A 1 -11.902 -4.677 -14.835 1.00 0.00 C ATOM 3 C MET A 1 -11.220 -4.983 -16.172 1.00 0.00 C ATOM 4 O MET A 1 -11.622 -4.433 -17.195 1.00 0.00 O ATOM 5 CB MET A 1 -10.991 -3.844 -13.921 1.00 0.00 C ATOM 6 CG MET A 1 -10.814 -2.412 -14.444 1.00 0.00 C ATOM 7 SD MET A 1 -12.251 -1.335 -14.281 1.00 0.00 S ATOM 8 CE MET A 1 -11.573 0.186 -14.965 1.00 0.00 C ATOM 0 H1 MET A 1 -13.406 -5.878 -14.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.105 -6.736 -14.744 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.933 -5.986 -13.231 1.00 0.00 H new ATOM 0 HA MET A 1 -12.785 -4.074 -15.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.413 -3.814 -12.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.016 -4.325 -13.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.978 -1.953 -13.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.538 -2.461 -15.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.334 0.966 -14.942 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.713 0.500 -14.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.261 0.014 -15.995 1.00 0.00 H new ATOM 20 N GLY A 2 -10.191 -5.839 -16.177 1.00 0.00 N ATOM 21 CA GLY A 2 -9.498 -6.195 -17.405 1.00 0.00 C ATOM 22 C GLY A 2 -8.090 -6.720 -17.145 1.00 0.00 C ATOM 23 O GLY A 2 -7.821 -7.904 -17.354 1.00 0.00 O ATOM 0 H GLY A 2 -9.825 -6.294 -15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.073 -6.953 -17.937 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.443 -5.322 -18.055 1.00 0.00 H new ATOM 27 N GLU A 3 -7.206 -5.863 -16.641 1.00 0.00 N ATOM 28 CA GLU A 3 -5.813 -6.185 -16.373 1.00 0.00 C ATOM 29 C GLU A 3 -5.392 -5.506 -15.073 1.00 0.00 C ATOM 30 O GLU A 3 -6.233 -4.992 -14.334 1.00 0.00 O ATOM 31 CB GLU A 3 -4.961 -5.764 -17.584 1.00 0.00 C ATOM 32 CG GLU A 3 -5.087 -4.268 -17.925 1.00 0.00 C ATOM 33 CD GLU A 3 -5.877 -4.038 -19.210 1.00 0.00 C ATOM 34 OE1 GLU A 3 -7.120 -4.158 -19.142 1.00 0.00 O ATOM 35 OE2 GLU A 3 -5.223 -3.757 -20.238 1.00 0.00 O ATOM 0 H GLU A 3 -7.448 -4.901 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.667 -7.257 -16.237 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.915 -5.997 -17.383 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.258 -6.354 -18.451 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.576 -3.749 -17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.092 -3.835 -18.029 1.00 0.00 H new ATOM 42 N TRP A 4 -4.090 -5.505 -14.795 1.00 0.00 N ATOM 43 CA TRP A 4 -3.539 -4.763 -13.681 1.00 0.00 C ATOM 44 C TRP A 4 -3.681 -3.269 -13.960 1.00 0.00 C ATOM 45 O TRP A 4 -3.816 -2.853 -15.110 1.00 0.00 O ATOM 46 CB TRP A 4 -2.078 -5.150 -13.458 1.00 0.00 C ATOM 47 CG TRP A 4 -1.833 -6.564 -13.021 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.200 -7.695 -13.671 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.192 -7.005 -11.790 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.813 -8.795 -12.933 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.197 -8.429 -11.754 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.632 -6.334 -10.686 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.659 -9.151 -10.677 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.113 -7.044 -9.589 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.115 -8.452 -9.587 1.00 0.00 C ATOM 0 H TRP A 4 -3.396 -6.019 -15.338 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.085 -5.004 -12.769 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.531 -4.977 -14.385 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.655 -4.480 -12.709 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.715 -7.730 -14.619 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.964 -9.761 -13.224 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.601 -5.254 -10.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.663 -10.231 -10.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.289 -6.506 -8.743 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.301 -8.993 -8.750 1.00 0.00 H new ATOM 66 N GLU A 5 -3.678 -2.473 -12.894 1.00 0.00 N ATOM 67 CA GLU A 5 -3.935 -1.051 -12.935 1.00 0.00 C ATOM 68 C GLU A 5 -2.911 -0.342 -12.058 1.00 0.00 C ATOM 69 O GLU A 5 -2.355 -0.930 -11.129 1.00 0.00 O ATOM 70 CB GLU A 5 -5.339 -0.777 -12.400 1.00 0.00 C ATOM 71 CG GLU A 5 -6.458 -1.474 -13.187 1.00 0.00 C ATOM 72 CD GLU A 5 -7.792 -1.357 -12.459 1.00 0.00 C ATOM 73 OE1 GLU A 5 -8.312 -0.222 -12.403 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.266 -2.398 -11.953 1.00 0.00 O ATOM 0 H GLU A 5 -3.490 -2.818 -11.953 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.861 -0.687 -13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.388 -1.097 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.517 0.298 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.541 -1.030 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.208 -2.525 -13.328 1.00 0.00 H new ATOM 81 N ILE A 6 -2.688 0.934 -12.359 1.00 0.00 N ATOM 82 CA ILE A 6 -1.731 1.765 -11.654 1.00 0.00 C ATOM 83 C ILE A 6 -2.218 2.062 -10.234 1.00 0.00 C ATOM 84 O ILE A 6 -3.405 1.955 -9.926 1.00 0.00 O ATOM 85 CB ILE A 6 -1.401 3.037 -12.462 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.597 3.998 -12.619 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.858 2.651 -13.846 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.558 5.136 -11.594 1.00 0.00 C ATOM 0 H ILE A 6 -3.176 1.422 -13.110 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.793 1.218 -11.553 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.644 3.576 -11.892 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.596 4.417 -13.625 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.527 3.441 -12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.627 3.554 -14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.047 2.055 -13.729 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.608 2.070 -14.382 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.419 5.788 -11.741 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.586 4.720 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.641 5.711 -11.723 1.00 0.00 H new ATOM 100 N ILE A 7 -1.271 2.425 -9.374 1.00 0.00 N ATOM 101 CA ILE A 7 -1.472 2.756 -7.974 1.00 0.00 C ATOM 102 C ILE A 7 -1.443 4.290 -7.874 1.00 0.00 C ATOM 103 O ILE A 7 -0.567 4.917 -8.471 1.00 0.00 O ATOM 104 CB ILE A 7 -0.353 2.033 -7.193 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.586 1.782 -5.699 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.017 2.669 -7.408 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.936 3.023 -4.883 1.00 0.00 C ATOM 0 H ILE A 7 -0.293 2.499 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.422 2.431 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.382 1.041 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.391 1.055 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.312 1.330 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.766 2.121 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.272 2.634 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.993 3.706 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.082 2.743 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.124 3.746 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.853 3.467 -5.271 1.00 0.00 H new ATOM 119 N ASP A 8 -2.404 4.906 -7.178 1.00 0.00 N ATOM 120 CA ASP A 8 -2.457 6.352 -6.967 1.00 0.00 C ATOM 121 C ASP A 8 -2.089 6.697 -5.521 1.00 0.00 C ATOM 122 O ASP A 8 -2.294 5.897 -4.608 1.00 0.00 O ATOM 123 CB ASP A 8 -3.831 6.913 -7.356 1.00 0.00 C ATOM 124 CG ASP A 8 -4.964 6.319 -6.528 1.00 0.00 C ATOM 125 OD1 ASP A 8 -5.253 6.888 -5.455 1.00 0.00 O ATOM 126 OD2 ASP A 8 -5.518 5.297 -6.987 1.00 0.00 O ATOM 0 H ASP A 8 -3.177 4.405 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.721 6.825 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.825 7.996 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.015 6.714 -8.412 1.00 0.00 H new ATOM 131 N ILE A 9 -1.514 7.883 -5.318 1.00 0.00 N ATOM 132 CA ILE A 9 -1.106 8.362 -4.003 1.00 0.00 C ATOM 133 C ILE A 9 -2.343 8.810 -3.218 1.00 0.00 C ATOM 134 O ILE A 9 -3.406 9.037 -3.790 1.00 0.00 O ATOM 135 CB ILE A 9 -0.066 9.494 -4.153 1.00 0.00 C ATOM 136 CG1 ILE A 9 1.096 9.101 -5.087 1.00 0.00 C ATOM 137 CG2 ILE A 9 0.507 9.969 -2.808 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.866 7.868 -4.604 1.00 0.00 C ATOM 0 H ILE A 9 -1.318 8.542 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.629 7.559 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.618 10.321 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.702 8.908 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.785 9.941 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.231 10.765 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.301 10.345 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.998 9.135 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.670 7.644 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.288 8.065 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.189 7.016 -4.545 1.00 0.00 H new ATOM 150 N GLY A 10 -2.190 8.940 -1.900 1.00 0.00 N ATOM 151 CA GLY A 10 -3.247 9.336 -0.982 1.00 0.00 C ATOM 152 C GLY A 10 -3.625 8.144 -0.102 1.00 0.00 C ATOM 153 O GLY A 10 -2.725 7.420 0.335 1.00 0.00 O ATOM 0 H GLY A 10 -1.300 8.767 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.913 10.169 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.118 9.682 -1.539 1.00 0.00 H new ATOM 157 N PRO A 11 -4.921 7.920 0.180 1.00 0.00 N ATOM 158 CA PRO A 11 -5.382 6.901 1.115 1.00 0.00 C ATOM 159 C PRO A 11 -5.325 5.519 0.455 1.00 0.00 C ATOM 160 O PRO A 11 -6.347 4.870 0.251 1.00 0.00 O ATOM 161 CB PRO A 11 -6.811 7.325 1.476 1.00 0.00 C ATOM 162 CG PRO A 11 -7.304 7.971 0.183 1.00 0.00 C ATOM 163 CD PRO A 11 -6.053 8.671 -0.347 1.00 0.00 C ATOM 0 HA PRO A 11 -4.764 6.822 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.426 6.472 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.827 8.026 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.681 7.229 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.114 8.676 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.043 8.680 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.019 9.710 -0.020 1.00 0.00 H new ATOM 171 N PHE A 12 -4.118 5.079 0.098 1.00 0.00 N ATOM 172 CA PHE A 12 -3.896 3.886 -0.692 1.00 0.00 C ATOM 173 C PHE A 12 -2.501 3.359 -0.356 1.00 0.00 C ATOM 174 O PHE A 12 -2.377 2.506 0.519 1.00 0.00 O ATOM 175 CB PHE A 12 -4.144 4.230 -2.169 1.00 0.00 C ATOM 176 CG PHE A 12 -4.195 3.108 -3.189 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.603 1.850 -2.966 1.00 0.00 C ATOM 178 CD2 PHE A 12 -4.776 3.387 -4.440 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.467 0.947 -4.031 1.00 0.00 C ATOM 180 CE2 PHE A 12 -4.672 2.467 -5.496 1.00 0.00 C ATOM 181 CZ PHE A 12 -3.976 1.266 -5.302 1.00 0.00 C ATOM 0 H PHE A 12 -3.256 5.557 0.359 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.587 3.074 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.089 4.770 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.362 4.922 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.255 1.581 -1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.306 4.316 -4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.969 0.002 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.126 2.684 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.831 0.586 -6.128 1.00 0.00 H new ATOM 191 N THR A 13 -1.440 3.876 -0.984 1.00 0.00 N ATOM 192 CA THR A 13 -0.090 3.403 -0.694 1.00 0.00 C ATOM 193 C THR A 13 0.214 3.618 0.792 1.00 0.00 C ATOM 194 O THR A 13 0.672 2.710 1.484 1.00 0.00 O ATOM 195 CB THR A 13 0.935 4.045 -1.651 1.00 0.00 C ATOM 196 OG1 THR A 13 2.205 3.452 -1.493 1.00 0.00 O ATOM 197 CG2 THR A 13 1.057 5.567 -1.528 1.00 0.00 C ATOM 0 H THR A 13 -1.492 4.613 -1.687 1.00 0.00 H new ATOM 0 HA THR A 13 -0.015 2.331 -0.878 1.00 0.00 H new ATOM 0 HB THR A 13 0.547 3.852 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.841 3.871 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.800 5.931 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.093 6.028 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.365 5.827 -0.515 1.00 0.00 H new ATOM 205 N GLN A 14 -0.119 4.808 1.304 1.00 0.00 N ATOM 206 CA GLN A 14 0.017 5.105 2.715 1.00 0.00 C ATOM 207 C GLN A 14 -0.870 4.179 3.543 1.00 0.00 C ATOM 208 O GLN A 14 -0.393 3.592 4.506 1.00 0.00 O ATOM 209 CB GLN A 14 -0.324 6.576 2.974 1.00 0.00 C ATOM 210 CG GLN A 14 0.918 7.472 3.058 1.00 0.00 C ATOM 211 CD GLN A 14 1.601 7.653 1.709 1.00 0.00 C ATOM 212 OE1 GLN A 14 2.689 7.137 1.473 1.00 0.00 O ATOM 213 NE2 GLN A 14 0.969 8.395 0.804 1.00 0.00 N ATOM 0 H GLN A 14 -0.487 5.580 0.748 1.00 0.00 H new ATOM 0 HA GLN A 14 1.050 4.934 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.974 6.939 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.886 6.655 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.632 8.448 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.626 7.040 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.065 8.812 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.388 8.547 -0.113 1.00 0.00 H new ATOM 222 N ASN A 15 -2.150 4.055 3.177 1.00 0.00 N ATOM 223 CA ASN A 15 -3.107 3.234 3.913 1.00 0.00 C ATOM 224 C ASN A 15 -2.555 1.830 4.140 1.00 0.00 C ATOM 225 O ASN A 15 -2.482 1.353 5.267 1.00 0.00 O ATOM 226 CB ASN A 15 -4.432 3.146 3.150 1.00 0.00 C ATOM 227 CG ASN A 15 -5.456 2.341 3.943 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.556 1.130 3.786 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.214 3.003 4.812 1.00 0.00 N ATOM 0 H ASN A 15 -2.548 4.522 2.362 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.280 3.705 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.817 4.148 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.268 2.680 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.904 2.502 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.106 4.012 4.919 1.00 0.00 H new ATOM 236 N LEU A 16 -2.152 1.189 3.049 1.00 0.00 N ATOM 237 CA LEU A 16 -1.608 -0.160 3.049 1.00 0.00 C ATOM 238 C LEU A 16 -0.272 -0.210 3.795 1.00 0.00 C ATOM 239 O LEU A 16 -0.048 -1.142 4.567 1.00 0.00 O ATOM 240 CB LEU A 16 -1.470 -0.649 1.604 1.00 0.00 C ATOM 241 CG LEU A 16 -2.806 -0.774 0.844 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.525 -1.333 -0.552 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.819 -1.658 1.577 1.00 0.00 C ATOM 0 H LEU A 16 -2.196 1.605 2.119 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.290 -0.827 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.820 0.037 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.976 -1.620 1.608 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.253 0.218 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.462 -1.427 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.857 -0.658 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.056 -2.313 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.741 -1.712 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.407 -2.660 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.031 -1.232 2.558 1.00 0.00 H new ATOM 255 N ALA A 17 0.613 0.775 3.599 1.00 0.00 N ATOM 256 CA ALA A 17 1.882 0.805 4.314 1.00 0.00 C ATOM 257 C ALA A 17 1.642 0.833 5.827 1.00 0.00 C ATOM 258 O ALA A 17 2.130 -0.027 6.564 1.00 0.00 O ATOM 259 CB ALA A 17 2.697 2.014 3.849 1.00 0.00 C ATOM 0 H ALA A 17 0.470 1.553 2.955 1.00 0.00 H new ATOM 0 HA ALA A 17 2.450 -0.099 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.647 2.039 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.884 1.937 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.141 2.929 4.055 1.00 0.00 H new ATOM 265 N LYS A 18 0.868 1.821 6.285 1.00 0.00 N ATOM 266 CA LYS A 18 0.477 1.947 7.676 1.00 0.00 C ATOM 267 C LYS A 18 -0.191 0.666 8.165 1.00 0.00 C ATOM 268 O LYS A 18 0.223 0.129 9.186 1.00 0.00 O ATOM 269 CB LYS A 18 -0.426 3.176 7.893 1.00 0.00 C ATOM 270 CG LYS A 18 0.179 4.146 8.912 1.00 0.00 C ATOM 271 CD LYS A 18 0.245 3.497 10.303 1.00 0.00 C ATOM 272 CE LYS A 18 0.748 4.488 11.359 1.00 0.00 C ATOM 273 NZ LYS A 18 2.143 4.894 11.109 1.00 0.00 N ATOM 0 H LYS A 18 0.496 2.559 5.688 1.00 0.00 H new ATOM 0 HA LYS A 18 1.378 2.101 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.575 3.691 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.408 2.851 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.179 4.439 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.420 5.055 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.744 3.134 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.906 2.631 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.108 5.370 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.673 4.035 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.480 5.483 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.742 4.048 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.193 5.439 10.224 1.00 0.00 H new ATOM 287 N PHE A 19 -1.204 0.175 7.440 1.00 0.00 N ATOM 288 CA PHE A 19 -1.907 -1.067 7.745 1.00 0.00 C ATOM 289 C PHE A 19 -0.895 -2.169 8.038 1.00 0.00 C ATOM 290 O PHE A 19 -0.945 -2.764 9.108 1.00 0.00 O ATOM 291 CB PHE A 19 -2.834 -1.450 6.583 1.00 0.00 C ATOM 292 CG PHE A 19 -3.664 -2.720 6.710 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.470 -2.960 7.841 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.763 -3.583 5.602 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.325 -4.079 7.876 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.595 -4.718 5.645 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.375 -4.968 6.787 1.00 0.00 C ATOM 0 H PHE A 19 -1.562 0.644 6.608 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.527 -0.928 8.631 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.520 -0.620 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.222 -1.541 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.432 -2.284 8.683 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.194 -3.372 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.945 -4.255 8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.634 -5.394 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.011 -5.840 6.828 1.00 0.00 H new ATOM 307 N ALA A 20 0.043 -2.414 7.122 1.00 0.00 N ATOM 308 CA ALA A 20 1.043 -3.457 7.314 1.00 0.00 C ATOM 309 C ALA A 20 1.767 -3.321 8.658 1.00 0.00 C ATOM 310 O ALA A 20 1.754 -4.255 9.463 1.00 0.00 O ATOM 311 CB ALA A 20 2.008 -3.542 6.131 1.00 0.00 C ATOM 0 H ALA A 20 0.128 -1.904 6.243 1.00 0.00 H new ATOM 0 HA ALA A 20 0.512 -4.408 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.738 -4.331 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.450 -3.766 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.525 -2.590 6.014 1.00 0.00 H new ATOM 317 N VAL A 21 2.406 -2.172 8.903 1.00 0.00 N ATOM 318 CA VAL A 21 3.224 -1.991 10.101 1.00 0.00 C ATOM 319 C VAL A 21 2.338 -2.019 11.355 1.00 0.00 C ATOM 320 O VAL A 21 2.630 -2.735 12.311 1.00 0.00 O ATOM 321 CB VAL A 21 4.021 -0.673 10.009 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.853 -0.432 11.278 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.987 -0.663 8.816 1.00 0.00 C ATOM 0 H VAL A 21 2.371 -1.358 8.289 1.00 0.00 H new ATOM 0 HA VAL A 21 3.938 -2.811 10.173 1.00 0.00 H new ATOM 0 HB VAL A 21 3.276 0.113 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.402 0.504 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.191 -0.376 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.557 -1.253 11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.526 0.284 8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.698 -1.483 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.424 -0.783 7.891 1.00 0.00 H new ATOM 333 N ASP A 22 1.272 -1.214 11.357 1.00 0.00 N ATOM 334 CA ASP A 22 0.348 -1.053 12.472 1.00 0.00 C ATOM 335 C ASP A 22 -0.271 -2.390 12.848 1.00 0.00 C ATOM 336 O ASP A 22 -0.235 -2.802 14.004 1.00 0.00 O ATOM 337 CB ASP A 22 -0.758 -0.057 12.095 1.00 0.00 C ATOM 338 CG ASP A 22 -1.816 0.043 13.190 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.540 0.752 14.181 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.877 -0.594 13.014 1.00 0.00 O ATOM 0 H ASP A 22 1.024 -0.639 10.552 1.00 0.00 H new ATOM 0 HA ASP A 22 0.902 -0.670 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.320 0.926 11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.227 -0.368 11.162 1.00 0.00 H new ATOM 345 N GLU A 23 -0.866 -3.059 11.866 1.00 0.00 N ATOM 346 CA GLU A 23 -1.579 -4.294 12.093 1.00 0.00 C ATOM 347 C GLU A 23 -0.604 -5.374 12.534 1.00 0.00 C ATOM 348 O GLU A 23 -0.899 -6.136 13.454 1.00 0.00 O ATOM 349 CB GLU A 23 -2.298 -4.660 10.805 1.00 0.00 C ATOM 350 CG GLU A 23 -3.426 -5.651 11.060 1.00 0.00 C ATOM 351 CD GLU A 23 -2.950 -7.092 11.225 1.00 0.00 C ATOM 352 OE1 GLU A 23 -1.954 -7.439 10.550 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.604 -7.820 12.001 1.00 0.00 O ATOM 0 H GLU A 23 -0.863 -2.754 10.893 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.316 -4.187 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.701 -3.759 10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.587 -5.089 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.966 -5.351 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.134 -5.604 10.232 1.00 0.00 H new ATOM 360 N GLU A 24 0.573 -5.423 11.898 1.00 0.00 N ATOM 361 CA GLU A 24 1.634 -6.261 12.426 1.00 0.00 C ATOM 362 C GLU A 24 1.828 -5.938 13.908 1.00 0.00 C ATOM 363 O GLU A 24 1.708 -6.838 14.725 1.00 0.00 O ATOM 364 CB GLU A 24 2.930 -6.151 11.611 1.00 0.00 C ATOM 365 CG GLU A 24 4.063 -6.954 12.267 1.00 0.00 C ATOM 366 CD GLU A 24 4.754 -6.167 13.380 1.00 0.00 C ATOM 367 OE1 GLU A 24 5.350 -5.123 13.040 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.706 -6.637 14.536 1.00 0.00 O ATOM 0 H GLU A 24 0.802 -4.909 11.047 1.00 0.00 H new ATOM 0 HA GLU A 24 1.342 -7.307 12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.759 -6.517 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.223 -5.104 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.661 -7.881 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.797 -7.231 11.510 1.00 0.00 H new ATOM 375 N ASN A 25 2.112 -4.682 14.264 1.00 0.00 N ATOM 376 CA ASN A 25 2.364 -4.277 15.644 1.00 0.00 C ATOM 377 C ASN A 25 1.245 -4.736 16.582 1.00 0.00 C ATOM 378 O ASN A 25 1.516 -5.206 17.684 1.00 0.00 O ATOM 379 CB ASN A 25 2.555 -2.754 15.717 1.00 0.00 C ATOM 380 CG ASN A 25 4.024 -2.358 15.812 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.438 -1.710 16.767 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.832 -2.739 14.827 1.00 0.00 N ATOM 0 H ASN A 25 2.173 -3.914 13.595 1.00 0.00 H new ATOM 0 HA ASN A 25 3.280 -4.763 15.979 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.113 -2.292 14.834 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.019 -2.364 16.583 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.821 -2.493 14.855 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.462 -3.278 14.044 1.00 0.00 H new ATOM 389 N LYS A 26 -0.008 -4.607 16.141 1.00 0.00 N ATOM 390 CA LYS A 26 -1.180 -5.048 16.885 1.00 0.00 C ATOM 391 C LYS A 26 -1.080 -6.542 17.236 1.00 0.00 C ATOM 392 O LYS A 26 -1.440 -6.927 18.347 1.00 0.00 O ATOM 393 CB LYS A 26 -2.434 -4.665 16.078 1.00 0.00 C ATOM 394 CG LYS A 26 -3.794 -4.993 16.713 1.00 0.00 C ATOM 395 CD LYS A 26 -4.203 -6.455 16.478 1.00 0.00 C ATOM 396 CE LYS A 26 -5.703 -6.687 16.695 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.512 -6.108 15.607 1.00 0.00 N ATOM 0 H LYS A 26 -0.236 -4.185 15.241 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.246 -4.546 17.850 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.399 -3.593 15.885 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.381 -5.165 15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.750 -4.797 17.784 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.556 -4.333 16.299 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.937 -6.744 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.638 -7.100 17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.899 -7.757 16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.005 -6.247 17.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.494 -6.442 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.492 -5.070 15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.122 -6.403 14.689 1.00 0.00 H new ATOM 411 N ILE A 27 -0.619 -7.385 16.305 1.00 0.00 N ATOM 412 CA ILE A 27 -0.541 -8.834 16.513 1.00 0.00 C ATOM 413 C ILE A 27 0.819 -9.251 17.095 1.00 0.00 C ATOM 414 O ILE A 27 0.882 -9.889 18.141 1.00 0.00 O ATOM 415 CB ILE A 27 -0.850 -9.573 15.194 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.251 -9.259 14.636 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.687 -11.088 15.369 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.415 -9.781 15.488 1.00 0.00 C ATOM 0 H ILE A 27 -0.290 -7.082 15.388 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.293 -9.118 17.249 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.126 -9.207 14.466 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.351 -8.179 14.532 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.332 -9.685 13.636 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.910 -11.589 14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.338 -11.312 15.666 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.373 -11.441 16.139 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.360 -9.512 15.016 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.347 -10.866 15.572 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.366 -9.336 16.482 1.00 0.00 H new ATOM 430 N GLY A 28 1.902 -8.949 16.379 1.00 0.00 N ATOM 431 CA GLY A 28 3.274 -9.279 16.734 1.00 0.00 C ATOM 432 C GLY A 28 3.665 -10.675 16.251 1.00 0.00 C ATOM 433 O GLY A 28 4.334 -11.410 16.971 1.00 0.00 O ATOM 0 H GLY A 28 1.839 -8.444 15.495 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.949 -8.542 16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.393 -9.222 17.816 1.00 0.00 H new ATOM 437 N GLN A 29 3.249 -11.048 15.032 1.00 0.00 N ATOM 438 CA GLN A 29 3.466 -12.394 14.506 1.00 0.00 C ATOM 439 C GLN A 29 4.846 -12.513 13.853 1.00 0.00 C ATOM 440 O GLN A 29 5.741 -13.164 14.383 1.00 0.00 O ATOM 441 CB GLN A 29 2.331 -12.782 13.534 1.00 0.00 C ATOM 442 CG GLN A 29 2.094 -14.301 13.513 1.00 0.00 C ATOM 443 CD GLN A 29 1.570 -14.825 14.849 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.562 -14.162 15.408 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 2.078 -15.801 15.387 1.00 0.00 N flip ATOM 0 H GLN A 29 2.756 -10.426 14.391 1.00 0.00 H new ATOM 0 HA GLN A 29 3.445 -13.100 15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.412 -12.274 13.827 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.579 -12.439 12.530 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.381 -14.544 12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.027 -14.809 13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.850 -16.289 14.933 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.729 -16.126 16.289 1.00 0.00 H new ATOM 454 N TYR A 30 4.998 -11.900 12.675 1.00 0.00 N ATOM 455 CA TYR A 30 6.222 -11.945 11.885 1.00 0.00 C ATOM 456 C TYR A 30 7.160 -10.826 12.338 1.00 0.00 C ATOM 457 O TYR A 30 8.346 -11.059 12.554 1.00 0.00 O ATOM 458 CB TYR A 30 5.900 -11.899 10.378 1.00 0.00 C ATOM 459 CG TYR A 30 4.694 -11.065 9.972 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.413 -11.647 9.915 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.848 -9.707 9.651 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.289 -10.851 9.628 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.725 -8.907 9.392 1.00 0.00 C ATOM 464 CZ TYR A 30 2.443 -9.477 9.385 1.00 0.00 C ATOM 465 OH TYR A 30 1.355 -8.692 9.157 1.00 0.00 O ATOM 0 H TYR A 30 4.257 -11.350 12.240 1.00 0.00 H new ATOM 0 HA TYR A 30 6.740 -12.889 12.051 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.774 -11.515 9.853 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.743 -12.920 10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.293 -12.706 10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.837 -9.276 9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.306 -11.298 9.595 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.847 -7.852 9.198 1.00 0.00 H new ATOM 0 HH TYR A 30 1.644 -7.767 9.009 1.00 0.00 H new ATOM 475 N GLY A 31 6.618 -9.617 12.505 1.00 0.00 N ATOM 476 CA GLY A 31 7.381 -8.473 12.972 1.00 0.00 C ATOM 477 C GLY A 31 7.885 -7.714 11.757 1.00 0.00 C ATOM 478 O GLY A 31 8.720 -8.227 11.018 1.00 0.00 O ATOM 0 H GLY A 31 5.637 -9.411 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.759 -7.828 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.217 -8.800 13.590 1.00 0.00 H new ATOM 482 N ARG A 32 7.368 -6.507 11.512 1.00 0.00 N ATOM 483 CA ARG A 32 7.645 -5.753 10.303 1.00 0.00 C ATOM 484 C ARG A 32 9.007 -5.055 10.341 1.00 0.00 C ATOM 485 O ARG A 32 9.125 -3.885 9.978 1.00 0.00 O ATOM 486 CB ARG A 32 6.467 -4.808 10.012 1.00 0.00 C ATOM 487 CG ARG A 32 6.431 -4.438 8.525 1.00 0.00 C ATOM 488 CD ARG A 32 5.001 -4.344 7.970 1.00 0.00 C ATOM 489 NE ARG A 32 4.935 -4.892 6.611 1.00 0.00 N ATOM 490 CZ ARG A 32 5.222 -4.251 5.477 1.00 0.00 C ATOM 491 NH1 ARG A 32 5.432 -2.930 5.485 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.281 -4.967 4.349 1.00 0.00 N ATOM 0 H ARG A 32 6.741 -6.028 12.158 1.00 0.00 H new ATOM 0 HA ARG A 32 7.729 -6.444 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.530 -5.287 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.560 -3.905 10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.936 -3.483 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.989 -5.182 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.317 -4.888 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.676 -3.304 7.964 1.00 0.00 H new ATOM 0 HE ARG A 32 4.639 -5.864 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.373 -2.410 6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.651 -2.443 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.109 -5.972 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.498 -4.508 3.464 1.00 0.00 H new ATOM 506 N LEU A 33 10.037 -5.811 10.732 1.00 0.00 N ATOM 507 CA LEU A 33 11.426 -5.393 10.784 1.00 0.00 C ATOM 508 C LEU A 33 11.544 -4.004 11.430 1.00 0.00 C ATOM 509 O LEU A 33 10.964 -3.772 12.489 1.00 0.00 O ATOM 510 CB LEU A 33 12.036 -5.479 9.378 1.00 0.00 C ATOM 511 CG LEU A 33 11.998 -6.833 8.645 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.614 -7.961 9.479 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.614 -7.243 8.133 1.00 0.00 C ATOM 0 H LEU A 33 9.910 -6.777 11.034 1.00 0.00 H new ATOM 0 HA LEU A 33 12.004 -6.063 11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.528 -4.747 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.079 -5.169 9.449 1.00 0.00 H new ATOM 0 HG LEU A 33 12.613 -6.672 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.564 -8.896 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.655 -7.724 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.062 -8.067 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.683 -8.208 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.923 -7.319 8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.249 -6.494 7.430 1.00 0.00 H new ATOM 525 N THR A 34 12.280 -3.089 10.794 1.00 0.00 N ATOM 526 CA THR A 34 12.421 -1.703 11.213 1.00 0.00 C ATOM 527 C THR A 34 11.925 -0.817 10.067 1.00 0.00 C ATOM 528 O THR A 34 12.020 -1.213 8.903 1.00 0.00 O ATOM 529 CB THR A 34 13.892 -1.427 11.560 1.00 0.00 C ATOM 530 OG1 THR A 34 14.384 -2.461 12.390 1.00 0.00 O ATOM 531 CG2 THR A 34 14.082 -0.091 12.287 1.00 0.00 C ATOM 0 H THR A 34 12.808 -3.305 9.948 1.00 0.00 H new ATOM 0 HA THR A 34 11.831 -1.489 12.104 1.00 0.00 H new ATOM 0 HB THR A 34 14.439 -1.383 10.618 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.323 -2.285 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.139 0.055 12.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.729 0.722 11.653 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.514 -0.099 13.217 1.00 0.00 H new ATOM 539 N PHE A 35 11.404 0.370 10.402 1.00 0.00 N ATOM 540 CA PHE A 35 11.024 1.428 9.469 1.00 0.00 C ATOM 541 C PHE A 35 12.082 1.610 8.376 1.00 0.00 C ATOM 542 O PHE A 35 13.111 2.241 8.606 1.00 0.00 O ATOM 543 CB PHE A 35 10.818 2.752 10.223 1.00 0.00 C ATOM 544 CG PHE A 35 9.406 3.007 10.723 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.799 2.134 11.648 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.702 4.142 10.274 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.500 2.396 12.116 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.402 4.401 10.743 1.00 0.00 C ATOM 549 CZ PHE A 35 6.800 3.527 11.663 1.00 0.00 C ATOM 0 H PHE A 35 11.230 0.626 11.374 1.00 0.00 H new ATOM 0 HA PHE A 35 10.088 1.135 8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.496 2.774 11.076 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.106 3.573 9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.333 1.263 11.998 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.163 4.816 9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.038 1.726 12.826 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.866 5.272 10.396 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.801 3.724 12.022 1.00 0.00 H new ATOM 559 N ASN A 36 11.809 1.054 7.195 1.00 0.00 N ATOM 560 CA ASN A 36 12.612 1.137 5.996 1.00 0.00 C ATOM 561 C ASN A 36 11.896 2.081 5.023 1.00 0.00 C ATOM 562 O ASN A 36 11.684 3.244 5.354 1.00 0.00 O ATOM 563 CB ASN A 36 12.800 -0.291 5.466 1.00 0.00 C ATOM 564 CG ASN A 36 11.466 -1.022 5.274 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.948 -1.090 4.168 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.888 -1.562 6.342 1.00 0.00 N ATOM 0 H ASN A 36 10.964 0.500 7.052 1.00 0.00 H new ATOM 0 HA ASN A 36 13.607 1.549 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.332 -0.256 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.424 -0.854 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.995 -2.045 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.338 -1.493 7.255 1.00 0.00 H new ATOM 573 N LYS A 37 11.495 1.594 3.845 1.00 0.00 N ATOM 574 CA LYS A 37 10.747 2.329 2.843 1.00 0.00 C ATOM 575 C LYS A 37 10.154 1.315 1.858 1.00 0.00 C ATOM 576 O LYS A 37 10.696 0.227 1.663 1.00 0.00 O ATOM 577 CB LYS A 37 11.665 3.353 2.157 1.00 0.00 C ATOM 578 CG LYS A 37 10.920 4.235 1.143 1.00 0.00 C ATOM 579 CD LYS A 37 11.627 5.584 0.953 1.00 0.00 C ATOM 580 CE LYS A 37 11.256 6.562 2.078 1.00 0.00 C ATOM 581 NZ LYS A 37 11.982 7.837 1.948 1.00 0.00 N ATOM 0 H LYS A 37 11.696 0.635 3.560 1.00 0.00 H new ATOM 0 HA LYS A 37 9.930 2.894 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.124 3.987 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.473 2.827 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.856 3.718 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.898 4.402 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.707 5.434 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.351 6.011 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.183 6.750 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.483 6.110 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.708 8.473 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.006 7.660 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.746 8.280 1.037 1.00 0.00 H new ATOM 595 N VAL A 38 9.025 1.667 1.247 1.00 0.00 N ATOM 596 CA VAL A 38 8.393 0.890 0.194 1.00 0.00 C ATOM 597 C VAL A 38 8.870 1.454 -1.142 1.00 0.00 C ATOM 598 O VAL A 38 8.894 2.673 -1.313 1.00 0.00 O ATOM 599 CB VAL A 38 6.866 0.885 0.410 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.274 2.286 0.629 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.090 0.205 -0.722 1.00 0.00 C ATOM 0 H VAL A 38 8.516 2.520 1.479 1.00 0.00 H new ATOM 0 HA VAL A 38 8.677 -0.162 0.206 1.00 0.00 H new ATOM 0 HB VAL A 38 6.744 0.301 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.197 2.207 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.727 2.738 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.478 2.908 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.023 0.239 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.284 0.725 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.410 -0.833 -0.810 1.00 0.00 H new ATOM 611 N ILE A 39 9.310 0.589 -2.064 1.00 0.00 N ATOM 612 CA ILE A 39 9.723 1.064 -3.381 1.00 0.00 C ATOM 613 C ILE A 39 8.471 1.514 -4.129 1.00 0.00 C ATOM 614 O ILE A 39 7.377 1.066 -3.798 1.00 0.00 O ATOM 615 CB ILE A 39 10.538 0.006 -4.147 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.716 -1.236 -4.534 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.764 -0.412 -3.325 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.330 -1.231 -6.015 1.00 0.00 C ATOM 0 H ILE A 39 9.387 -0.418 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 39 10.401 1.912 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 39 10.853 0.474 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.292 -2.135 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.813 -1.277 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.333 -1.161 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.393 0.459 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.438 -0.832 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.751 -2.126 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.731 -0.346 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.232 -1.217 -6.626 1.00 0.00 H new ATOM 630 N ARG A 40 8.600 2.424 -5.096 1.00 0.00 N ATOM 631 CA ARG A 40 7.479 2.967 -5.844 1.00 0.00 C ATOM 632 C ARG A 40 7.950 3.204 -7.281 1.00 0.00 C ATOM 633 O ARG A 40 9.140 3.456 -7.474 1.00 0.00 O ATOM 634 CB ARG A 40 6.977 4.264 -5.179 1.00 0.00 C ATOM 635 CG ARG A 40 6.368 3.974 -3.797 1.00 0.00 C ATOM 636 CD ARG A 40 5.686 5.201 -3.180 1.00 0.00 C ATOM 637 NE ARG A 40 5.175 4.856 -1.846 1.00 0.00 N ATOM 638 CZ ARG A 40 4.615 5.709 -0.977 1.00 0.00 C ATOM 639 NH1 ARG A 40 4.403 6.983 -1.314 1.00 0.00 N ATOM 640 NH2 ARG A 40 4.261 5.280 0.238 1.00 0.00 N ATOM 0 H ARG A 40 9.502 2.806 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 40 6.639 2.273 -5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.803 4.968 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.231 4.739 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.641 3.167 -3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.152 3.623 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.394 6.027 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.869 5.536 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 40 5.253 3.881 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.668 7.316 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.976 7.623 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.417 4.307 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.835 5.926 0.903 1.00 0.00 H new ATOM 654 N PRO A 41 7.061 3.139 -8.287 1.00 0.00 N ATOM 655 CA PRO A 41 5.640 2.846 -8.165 1.00 0.00 C ATOM 656 C PRO A 41 5.379 1.363 -7.865 1.00 0.00 C ATOM 657 O PRO A 41 6.191 0.493 -8.168 1.00 0.00 O ATOM 658 CB PRO A 41 5.026 3.266 -9.503 1.00 0.00 C ATOM 659 CG PRO A 41 6.171 3.045 -10.491 1.00 0.00 C ATOM 660 CD PRO A 41 7.409 3.411 -9.671 1.00 0.00 C ATOM 0 HA PRO A 41 5.195 3.384 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.154 2.662 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.700 4.306 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.209 2.013 -10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.070 3.677 -11.373 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.272 2.821 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.674 4.459 -9.809 1.00 0.00 H new ATOM 668 N CYS A 42 4.226 1.117 -7.244 1.00 0.00 N ATOM 669 CA CYS A 42 3.650 -0.190 -6.927 1.00 0.00 C ATOM 670 C CYS A 42 2.484 -0.404 -7.907 1.00 0.00 C ATOM 671 O CYS A 42 2.327 0.400 -8.829 1.00 0.00 O ATOM 672 CB CYS A 42 3.264 -0.195 -5.434 1.00 0.00 C ATOM 673 SG CYS A 42 4.806 -0.332 -4.457 1.00 0.00 S ATOM 0 H CYS A 42 3.627 1.879 -6.927 1.00 0.00 H new ATOM 0 HA CYS A 42 4.336 -1.028 -7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.728 0.718 -5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.598 -1.029 -5.215 1.00 0.00 H new ATOM 0 HG CYS A 42 5.543 0.720 -4.659 1.00 0.00 H new ATOM 679 N MET A 43 1.674 -1.464 -7.785 1.00 0.00 N ATOM 680 CA MET A 43 0.650 -1.733 -8.803 1.00 0.00 C ATOM 681 C MET A 43 -0.487 -2.594 -8.238 1.00 0.00 C ATOM 682 O MET A 43 -0.293 -3.288 -7.243 1.00 0.00 O ATOM 683 CB MET A 43 1.326 -2.368 -10.034 1.00 0.00 C ATOM 684 CG MET A 43 0.455 -2.274 -11.294 1.00 0.00 C ATOM 685 SD MET A 43 1.293 -2.586 -12.870 1.00 0.00 S ATOM 686 CE MET A 43 2.166 -1.014 -13.084 1.00 0.00 C ATOM 0 H MET A 43 1.704 -2.132 -7.015 1.00 0.00 H new ATOM 0 HA MET A 43 0.183 -0.798 -9.114 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.280 -1.873 -10.217 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.546 -3.415 -9.825 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.367 -2.984 -11.196 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.013 -1.278 -11.332 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.048 -0.669 -14.111 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.751 -0.272 -12.402 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.225 -1.154 -12.868 1.00 0.00 H new ATOM 696 N LYS A 44 -1.682 -2.534 -8.840 1.00 0.00 N ATOM 697 CA LYS A 44 -2.850 -3.267 -8.353 1.00 0.00 C ATOM 698 C LYS A 44 -3.484 -4.167 -9.411 1.00 0.00 C ATOM 699 O LYS A 44 -3.162 -4.069 -10.594 1.00 0.00 O ATOM 700 CB LYS A 44 -3.871 -2.298 -7.745 1.00 0.00 C ATOM 701 CG LYS A 44 -4.772 -1.572 -8.752 1.00 0.00 C ATOM 702 CD LYS A 44 -5.960 -0.934 -8.022 1.00 0.00 C ATOM 703 CE LYS A 44 -6.977 -0.376 -9.021 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.172 0.144 -8.335 1.00 0.00 N ATOM 0 H LYS A 44 -1.862 -1.977 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.500 -3.942 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.503 -2.852 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.334 -1.551 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.202 -0.805 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.131 -2.274 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.440 -1.675 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.606 -0.134 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.516 0.420 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.269 -1.159 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.570 0.934 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.882 -0.612 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.910 0.477 -7.385 1.00 0.00 H new ATOM 718 N LYS A 45 -4.421 -5.009 -8.965 1.00 0.00 N ATOM 719 CA LYS A 45 -5.089 -6.030 -9.744 1.00 0.00 C ATOM 720 C LYS A 45 -6.517 -6.269 -9.236 1.00 0.00 C ATOM 721 O LYS A 45 -6.756 -6.468 -8.046 1.00 0.00 O ATOM 722 CB LYS A 45 -4.271 -7.321 -9.648 1.00 0.00 C ATOM 723 CG LYS A 45 -4.986 -8.472 -10.363 1.00 0.00 C ATOM 724 CD LYS A 45 -5.545 -9.510 -9.396 1.00 0.00 C ATOM 725 CE LYS A 45 -4.561 -10.645 -9.079 1.00 0.00 C ATOM 726 NZ LYS A 45 -3.375 -10.177 -8.345 1.00 0.00 N ATOM 0 H LYS A 45 -4.744 -4.987 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.161 -5.703 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.287 -7.167 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.113 -7.580 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.799 -8.070 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.290 -8.957 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.827 -9.015 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.455 -9.936 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.070 -11.408 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.245 -11.117 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.690 -10.955 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.938 -9.386 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.657 -9.859 -7.396 1.00 0.00 H new ATOM 740 N THR A 46 -7.465 -6.326 -10.172 1.00 0.00 N ATOM 741 CA THR A 46 -8.824 -6.786 -9.938 1.00 0.00 C ATOM 742 C THR A 46 -8.834 -8.327 -9.859 1.00 0.00 C ATOM 743 O THR A 46 -8.843 -8.979 -10.901 1.00 0.00 O ATOM 744 CB THR A 46 -9.703 -6.276 -11.105 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.966 -6.911 -11.101 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.077 -6.456 -12.505 1.00 0.00 C ATOM 0 H THR A 46 -7.299 -6.045 -11.138 1.00 0.00 H new ATOM 0 HA THR A 46 -9.217 -6.402 -8.997 1.00 0.00 H new ATOM 0 HB THR A 46 -9.799 -5.205 -10.926 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.970 -7.635 -11.761 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.761 -6.072 -13.262 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.135 -5.909 -12.556 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.892 -7.515 -12.687 1.00 0.00 H new ATOM 754 N ILE A 47 -8.833 -8.952 -8.676 1.00 0.00 N ATOM 755 CA ILE A 47 -8.871 -10.416 -8.631 1.00 0.00 C ATOM 756 C ILE A 47 -10.230 -11.000 -9.043 1.00 0.00 C ATOM 757 O ILE A 47 -11.300 -10.588 -8.591 1.00 0.00 O ATOM 758 CB ILE A 47 -8.306 -11.008 -7.337 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.441 -12.546 -7.389 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.990 -10.361 -6.141 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.691 -13.254 -6.259 1.00 0.00 C ATOM 0 H ILE A 47 -8.807 -8.487 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.177 -10.745 -9.404 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.243 -10.792 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.496 -12.814 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.065 -12.905 -8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.588 -10.783 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.811 -9.286 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.062 -10.551 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.826 -14.332 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.629 -13.014 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.083 -12.921 -5.298 1.00 0.00 H new ATOM 773 N TYR A 48 -10.128 -12.003 -9.912 1.00 0.00 N ATOM 774 CA TYR A 48 -11.193 -12.628 -10.668 1.00 0.00 C ATOM 775 C TYR A 48 -11.697 -13.917 -10.030 1.00 0.00 C ATOM 776 O TYR A 48 -11.106 -14.467 -9.103 1.00 0.00 O ATOM 777 CB TYR A 48 -10.630 -12.909 -12.064 1.00 0.00 C ATOM 778 CG TYR A 48 -10.203 -11.692 -12.850 1.00 0.00 C ATOM 779 CD1 TYR A 48 -11.055 -10.582 -12.897 1.00 0.00 C ATOM 780 CD2 TYR A 48 -9.019 -11.695 -13.611 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.695 -9.436 -13.615 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.677 -10.566 -14.375 1.00 0.00 C ATOM 783 CZ TYR A 48 -9.507 -9.431 -14.354 1.00 0.00 C ATOM 784 OH TYR A 48 -9.198 -8.335 -15.092 1.00 0.00 O ATOM 0 H TYR A 48 -9.224 -12.428 -10.117 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.055 -11.961 -10.700 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.773 -13.574 -11.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.384 -13.446 -12.640 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.999 -10.610 -12.374 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.375 -12.562 -13.608 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.329 -8.562 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.780 -10.570 -14.976 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.601 -8.592 -15.826 1.00 0.00 H new ATOM 794 N GLU A 49 -12.781 -14.424 -10.612 1.00 0.00 N ATOM 795 CA GLU A 49 -13.501 -15.627 -10.241 1.00 0.00 C ATOM 796 C GLU A 49 -12.779 -16.861 -10.776 1.00 0.00 C ATOM 797 O GLU A 49 -13.376 -17.746 -11.387 1.00 0.00 O ATOM 798 CB GLU A 49 -14.946 -15.528 -10.752 1.00 0.00 C ATOM 799 CG GLU A 49 -15.125 -15.153 -12.234 1.00 0.00 C ATOM 800 CD GLU A 49 -15.147 -13.642 -12.448 1.00 0.00 C ATOM 801 OE1 GLU A 49 -16.238 -13.050 -12.301 1.00 0.00 O ATOM 802 OE2 GLU A 49 -14.052 -13.100 -12.719 1.00 0.00 O ATOM 0 H GLU A 49 -13.207 -13.964 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.534 -15.726 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.435 -16.487 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.472 -14.790 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.314 -15.589 -12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.054 -15.585 -12.607 1.00 0.00 H new ATOM 809 N ASN A 50 -11.470 -16.922 -10.541 1.00 0.00 N ATOM 810 CA ASN A 50 -10.645 -18.045 -10.964 1.00 0.00 C ATOM 811 C ASN A 50 -10.862 -19.229 -10.019 1.00 0.00 C ATOM 812 O ASN A 50 -9.964 -19.625 -9.279 1.00 0.00 O ATOM 813 CB ASN A 50 -9.176 -17.621 -11.072 1.00 0.00 C ATOM 814 CG ASN A 50 -8.342 -18.671 -11.808 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.810 -19.763 -12.113 1.00 0.00 O ATOM 816 ND2 ASN A 50 -7.103 -18.329 -12.147 1.00 0.00 N ATOM 0 H ASN A 50 -10.953 -16.192 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.943 -18.371 -11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.109 -16.668 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.767 -17.464 -10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.520 -18.980 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.736 -17.415 -11.882 1.00 0.00 H new ATOM 823 N GLU A 51 -12.085 -19.767 -10.030 1.00 0.00 N ATOM 824 CA GLU A 51 -12.535 -20.902 -9.250 1.00 0.00 C ATOM 825 C GLU A 51 -13.639 -21.631 -10.026 1.00 0.00 C ATOM 826 O GLU A 51 -14.599 -22.134 -9.446 1.00 0.00 O ATOM 827 CB GLU A 51 -13.004 -20.404 -7.870 1.00 0.00 C ATOM 828 CG GLU A 51 -13.260 -21.537 -6.858 1.00 0.00 C ATOM 829 CD GLU A 51 -14.703 -21.566 -6.347 1.00 0.00 C ATOM 830 OE1 GLU A 51 -15.171 -20.502 -5.883 1.00 0.00 O ATOM 831 OE2 GLU A 51 -15.308 -22.659 -6.402 1.00 0.00 O ATOM 0 H GLU A 51 -12.825 -19.392 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.728 -21.616 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.252 -19.728 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.920 -19.826 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.026 -22.494 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.583 -21.421 -6.012 1.00 0.00 H new ATOM 838 N GLY A 52 -13.545 -21.641 -11.360 1.00 0.00 N ATOM 839 CA GLY A 52 -14.513 -22.253 -12.258 1.00 0.00 C ATOM 840 C GLY A 52 -15.772 -21.398 -12.415 1.00 0.00 C ATOM 841 O GLY A 52 -16.232 -21.160 -13.529 1.00 0.00 O ATOM 0 H GLY A 52 -12.765 -21.207 -11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.055 -22.406 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.788 -23.237 -11.878 1.00 0.00 H new ATOM 845 N PHE A 53 -16.317 -20.948 -11.287 1.00 0.00 N ATOM 846 CA PHE A 53 -17.563 -20.212 -11.165 1.00 0.00 C ATOM 847 C PHE A 53 -17.347 -19.055 -10.185 1.00 0.00 C ATOM 848 O PHE A 53 -16.219 -18.797 -9.765 1.00 0.00 O ATOM 849 CB PHE A 53 -18.646 -21.178 -10.655 1.00 0.00 C ATOM 850 CG PHE A 53 -18.797 -22.444 -11.479 1.00 0.00 C ATOM 851 CD1 PHE A 53 -19.592 -22.436 -12.640 1.00 0.00 C ATOM 852 CD2 PHE A 53 -18.097 -23.612 -11.118 1.00 0.00 C ATOM 853 CE1 PHE A 53 -19.711 -23.599 -13.420 1.00 0.00 C ATOM 854 CE2 PHE A 53 -18.210 -24.772 -11.903 1.00 0.00 C ATOM 855 CZ PHE A 53 -19.022 -24.768 -13.052 1.00 0.00 C ATOM 0 H PHE A 53 -15.870 -21.099 -10.383 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.882 -19.802 -12.124 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -18.414 -21.454 -9.626 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -19.602 -20.655 -10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.111 -21.535 -12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.473 -23.616 -10.237 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.333 -23.595 -14.303 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.673 -25.667 -11.624 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.116 -25.662 -13.651 1.00 0.00 H new ATOM 865 N ARG A 54 -18.446 -18.408 -9.782 1.00 0.00 N ATOM 866 CA ARG A 54 -18.500 -17.316 -8.814 1.00 0.00 C ATOM 867 C ARG A 54 -18.222 -15.975 -9.500 1.00 0.00 C ATOM 868 O ARG A 54 -18.008 -15.935 -10.709 1.00 0.00 O ATOM 869 CB ARG A 54 -17.613 -17.612 -7.587 1.00 0.00 C ATOM 870 CG ARG A 54 -18.253 -17.169 -6.261 1.00 0.00 C ATOM 871 CD ARG A 54 -17.772 -18.062 -5.107 1.00 0.00 C ATOM 872 NE ARG A 54 -18.679 -17.969 -3.954 1.00 0.00 N ATOM 873 CZ ARG A 54 -18.867 -18.946 -3.052 1.00 0.00 C ATOM 874 NH1 ARG A 54 -18.077 -20.026 -3.043 1.00 0.00 N ATOM 875 NH2 ARG A 54 -19.860 -18.839 -2.163 1.00 0.00 N ATOM 0 H ARG A 54 -19.369 -18.648 -10.144 1.00 0.00 H new ATOM 0 HA ARG A 54 -19.510 -17.234 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -17.406 -18.681 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.655 -17.107 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -17.996 -16.130 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -19.339 -17.220 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.712 -19.097 -5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.767 -17.765 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 54 -19.202 -17.102 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.324 -20.113 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.228 -20.763 -2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -20.468 -18.020 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.010 -19.577 -1.474 1.00 0.00 H new ATOM 889 N GLU A 55 -18.299 -14.876 -8.742 1.00 0.00 N ATOM 890 CA GLU A 55 -18.149 -13.516 -9.248 1.00 0.00 C ATOM 891 C GLU A 55 -16.852 -12.898 -8.718 1.00 0.00 C ATOM 892 O GLU A 55 -16.056 -13.586 -8.079 1.00 0.00 O ATOM 893 CB GLU A 55 -19.413 -12.711 -8.897 1.00 0.00 C ATOM 894 CG GLU A 55 -19.781 -11.658 -9.959 1.00 0.00 C ATOM 895 CD GLU A 55 -19.808 -10.248 -9.385 1.00 0.00 C ATOM 896 OE1 GLU A 55 -18.706 -9.668 -9.300 1.00 0.00 O ATOM 897 OE2 GLU A 55 -20.916 -9.787 -9.040 1.00 0.00 O ATOM 0 H GLU A 55 -18.471 -14.913 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.058 -13.509 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -20.250 -13.398 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.264 -12.213 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.061 -11.702 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.758 -11.896 -10.381 1.00 0.00 H new ATOM 904 N ILE A 56 -16.621 -11.618 -9.023 1.00 0.00 N ATOM 905 CA ILE A 56 -15.360 -10.941 -8.746 1.00 0.00 C ATOM 906 C ILE A 56 -14.997 -11.069 -7.266 1.00 0.00 C ATOM 907 O ILE A 56 -15.843 -10.904 -6.389 1.00 0.00 O ATOM 908 CB ILE A 56 -15.430 -9.472 -9.204 1.00 0.00 C ATOM 909 CG1 ILE A 56 -15.596 -9.357 -10.732 1.00 0.00 C ATOM 910 CG2 ILE A 56 -14.203 -8.680 -8.742 1.00 0.00 C ATOM 911 CD1 ILE A 56 -14.355 -9.743 -11.539 1.00 0.00 C ATOM 0 H ILE A 56 -17.314 -11.020 -9.474 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.563 -11.421 -9.315 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.313 -9.039 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -16.427 -9.991 -11.043 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.869 -8.331 -10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.286 -7.648 -9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.146 -8.699 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.302 -9.128 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.564 -9.632 -12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.524 -9.094 -11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.091 -10.779 -11.328 1.00 0.00 H new ATOM 923 N LYS A 57 -13.726 -11.381 -7.003 1.00 0.00 N ATOM 924 CA LYS A 57 -13.250 -11.705 -5.674 1.00 0.00 C ATOM 925 C LYS A 57 -12.942 -10.408 -4.920 1.00 0.00 C ATOM 926 O LYS A 57 -13.293 -10.280 -3.749 1.00 0.00 O ATOM 927 CB LYS A 57 -12.029 -12.622 -5.823 1.00 0.00 C ATOM 928 CG LYS A 57 -11.553 -13.318 -4.541 1.00 0.00 C ATOM 929 CD LYS A 57 -12.370 -14.582 -4.232 1.00 0.00 C ATOM 930 CE LYS A 57 -11.529 -15.612 -3.465 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.044 -15.088 -2.178 1.00 0.00 N ATOM 0 H LYS A 57 -13.000 -11.414 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.000 -12.236 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.262 -13.387 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.203 -12.033 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.501 -13.583 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.628 -12.625 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.249 -14.316 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.730 -15.022 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.126 -16.507 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.678 -15.912 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.554 -15.844 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.385 -14.302 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.850 -14.748 -1.616 1.00 0.00 H new ATOM 945 N GLY A 58 -12.289 -9.440 -5.577 1.00 0.00 N ATOM 946 CA GLY A 58 -11.889 -8.209 -4.912 1.00 0.00 C ATOM 947 C GLY A 58 -10.814 -7.423 -5.663 1.00 0.00 C ATOM 948 O GLY A 58 -10.509 -7.705 -6.821 1.00 0.00 O ATOM 0 H GLY A 58 -12.031 -9.492 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.766 -7.575 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.520 -8.449 -3.915 1.00 0.00 H new ATOM 952 N TYR A 59 -10.238 -6.433 -4.979 1.00 0.00 N ATOM 953 CA TYR A 59 -9.161 -5.581 -5.420 1.00 0.00 C ATOM 954 C TYR A 59 -7.923 -5.986 -4.638 1.00 0.00 C ATOM 955 O TYR A 59 -7.804 -5.651 -3.460 1.00 0.00 O ATOM 956 CB TYR A 59 -9.539 -4.118 -5.121 1.00 0.00 C ATOM 957 CG TYR A 59 -10.025 -3.399 -6.351 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.123 -3.284 -7.416 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.373 -3.038 -6.523 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.579 -2.903 -8.688 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.817 -2.589 -7.780 1.00 0.00 C ATOM 962 CZ TYR A 59 -10.932 -2.565 -8.872 1.00 0.00 C ATOM 963 OH TYR A 59 -11.398 -2.261 -10.117 1.00 0.00 O ATOM 0 H TYR A 59 -10.543 -6.198 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.974 -5.679 -6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.315 -4.093 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.673 -3.596 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.074 -3.489 -7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.063 -3.105 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.894 -2.870 -9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.839 -2.262 -7.906 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.354 -2.052 -10.066 1.00 0.00 H new ATOM 973 N GLU A 60 -7.005 -6.706 -5.282 1.00 0.00 N ATOM 974 CA GLU A 60 -5.703 -6.956 -4.721 1.00 0.00 C ATOM 975 C GLU A 60 -4.792 -5.797 -5.095 1.00 0.00 C ATOM 976 O GLU A 60 -4.758 -5.366 -6.243 1.00 0.00 O ATOM 977 CB GLU A 60 -5.169 -8.292 -5.219 1.00 0.00 C ATOM 978 CG GLU A 60 -5.769 -9.428 -4.380 1.00 0.00 C ATOM 979 CD GLU A 60 -5.292 -10.816 -4.792 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.637 -10.913 -5.852 1.00 0.00 O ATOM 981 OE2 GLU A 60 -5.597 -11.758 -4.031 1.00 0.00 O ATOM 0 H GLU A 60 -7.153 -7.124 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.754 -7.022 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.424 -8.428 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.081 -8.310 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.518 -9.264 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.856 -9.390 -4.458 1.00 0.00 H new ATOM 988 N TYR A 61 -4.048 -5.298 -4.119 1.00 0.00 N ATOM 989 CA TYR A 61 -3.023 -4.289 -4.297 1.00 0.00 C ATOM 990 C TYR A 61 -1.701 -4.994 -4.035 1.00 0.00 C ATOM 991 O TYR A 61 -1.615 -5.678 -3.018 1.00 0.00 O ATOM 992 CB TYR A 61 -3.268 -3.164 -3.292 1.00 0.00 C ATOM 993 CG TYR A 61 -4.652 -2.549 -3.390 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.997 -1.755 -4.493 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.600 -2.772 -2.380 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.264 -1.150 -4.574 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.881 -2.210 -2.494 1.00 0.00 C ATOM 998 CZ TYR A 61 -7.209 -1.380 -3.571 1.00 0.00 C ATOM 999 OH TYR A 61 -8.437 -0.793 -3.636 1.00 0.00 O ATOM 0 H TYR A 61 -4.148 -5.597 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.025 -3.846 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.123 -3.552 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.522 -2.384 -3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.282 -1.606 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.345 -3.373 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.506 -0.509 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.624 -2.421 -1.739 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.970 -1.062 -2.858 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.712 -4.872 -4.928 1.00 0.00 N ATOM 1010 CA GLN A 62 0.604 -5.474 -4.773 1.00 0.00 C ATOM 1011 C GLN A 62 1.618 -4.364 -4.522 1.00 0.00 C ATOM 1012 O GLN A 62 1.765 -3.457 -5.346 1.00 0.00 O ATOM 1013 CB GLN A 62 0.972 -6.230 -6.055 1.00 0.00 C ATOM 1014 CG GLN A 62 2.316 -6.969 -5.944 1.00 0.00 C ATOM 1015 CD GLN A 62 2.950 -7.184 -7.312 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.098 -8.312 -7.769 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.343 -6.100 -7.976 1.00 0.00 N ATOM 0 H GLN A 62 -0.813 -4.341 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 62 0.603 -6.172 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.185 -6.948 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.017 -5.527 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.996 -6.397 -5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.164 -7.932 -5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.206 -5.175 -7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.781 -6.194 -8.892 1.00 0.00 H new ATOM 1026 N LEU A 63 2.355 -4.457 -3.416 1.00 0.00 N ATOM 1027 CA LEU A 63 3.434 -3.533 -3.129 1.00 0.00 C ATOM 1028 C LEU A 63 4.670 -4.277 -2.628 1.00 0.00 C ATOM 1029 O LEU A 63 4.637 -5.488 -2.393 1.00 0.00 O ATOM 1030 CB LEU A 63 2.931 -2.376 -2.255 1.00 0.00 C ATOM 1031 CG LEU A 63 2.179 -2.764 -0.973 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.143 -3.210 0.129 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.410 -1.535 -0.477 1.00 0.00 C ATOM 0 H LEU A 63 2.217 -5.173 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 63 3.778 -3.048 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.787 -1.762 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.274 -1.751 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 63 1.508 -3.593 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.577 -3.477 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.711 -4.075 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.828 -2.396 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.868 -1.788 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.111 -0.727 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.703 -1.215 -1.243 1.00 0.00 H new ATOM 1045 N TYR A 64 5.779 -3.543 -2.541 1.00 0.00 N ATOM 1046 CA TYR A 64 7.109 -4.100 -2.396 1.00 0.00 C ATOM 1047 C TYR A 64 7.904 -3.320 -1.347 1.00 0.00 C ATOM 1048 O TYR A 64 8.359 -2.202 -1.604 1.00 0.00 O ATOM 1049 CB TYR A 64 7.758 -4.037 -3.783 1.00 0.00 C ATOM 1050 CG TYR A 64 7.705 -5.352 -4.536 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.391 -6.466 -4.023 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.954 -5.481 -5.721 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.361 -7.693 -4.704 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.908 -6.716 -6.394 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.621 -7.818 -5.890 1.00 0.00 C ATOM 1056 OH TYR A 64 7.560 -9.027 -6.517 1.00 0.00 O ATOM 0 H TYR A 64 5.770 -2.523 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 64 7.081 -5.131 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.260 -3.269 -4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.799 -3.731 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.944 -6.378 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.414 -4.632 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.907 -8.540 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.325 -6.817 -7.298 1.00 0.00 H new ATOM 0 HH TYR A 64 7.009 -8.950 -7.323 1.00 0.00 H new ATOM 1066 N VAL A 65 8.053 -3.904 -0.154 1.00 0.00 N ATOM 1067 CA VAL A 65 8.606 -3.207 0.998 1.00 0.00 C ATOM 1068 C VAL A 65 10.063 -3.623 1.212 1.00 0.00 C ATOM 1069 O VAL A 65 10.366 -4.816 1.288 1.00 0.00 O ATOM 1070 CB VAL A 65 7.705 -3.429 2.217 1.00 0.00 C ATOM 1071 CG1 VAL A 65 8.244 -2.624 3.403 1.00 0.00 C ATOM 1072 CG2 VAL A 65 6.287 -2.961 1.849 1.00 0.00 C ATOM 0 H VAL A 65 7.792 -4.872 0.034 1.00 0.00 H new ATOM 0 HA VAL A 65 8.625 -2.131 0.825 1.00 0.00 H new ATOM 0 HB VAL A 65 7.685 -4.482 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.603 -2.781 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.257 -2.952 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.256 -1.564 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.623 -3.108 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.310 -1.904 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.922 -3.539 1.000 1.00 0.00 H new ATOM 1082 N TYR A 66 10.961 -2.635 1.294 1.00 0.00 N ATOM 1083 CA TYR A 66 12.402 -2.832 1.293 1.00 0.00 C ATOM 1084 C TYR A 66 12.914 -3.012 2.726 1.00 0.00 C ATOM 1085 O TYR A 66 13.824 -2.315 3.175 1.00 0.00 O ATOM 1086 CB TYR A 66 13.037 -1.625 0.585 1.00 0.00 C ATOM 1087 CG TYR A 66 14.481 -1.796 0.180 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.811 -2.813 -0.725 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.467 -0.889 0.610 1.00 0.00 C ATOM 1090 CE1 TYR A 66 16.138 -2.972 -1.156 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.784 -1.014 0.138 1.00 0.00 C ATOM 1092 CZ TYR A 66 17.120 -2.057 -0.741 1.00 0.00 C ATOM 1093 OH TYR A 66 18.412 -2.221 -1.132 1.00 0.00 O ATOM 0 H TYR A 66 10.692 -1.654 1.364 1.00 0.00 H new ATOM 0 HA TYR A 66 12.677 -3.740 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.452 -1.399 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.962 -0.759 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.042 -3.477 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.212 -0.099 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.403 -3.794 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.539 -0.308 0.451 1.00 0.00 H new ATOM 0 HH TYR A 66 18.813 -2.964 -0.634 1.00 0.00 H new ATOM 1103 N ALA A 67 12.307 -3.933 3.473 1.00 0.00 N ATOM 1104 CA ALA A 67 12.559 -4.069 4.902 1.00 0.00 C ATOM 1105 C ALA A 67 13.757 -4.985 5.102 1.00 0.00 C ATOM 1106 O ALA A 67 13.988 -5.873 4.287 1.00 0.00 O ATOM 1107 CB ALA A 67 11.311 -4.577 5.625 1.00 0.00 C ATOM 0 H ALA A 67 11.630 -4.602 3.105 1.00 0.00 H new ATOM 0 HA ALA A 67 12.792 -3.097 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.521 -4.671 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.493 -3.872 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.029 -5.550 5.223 1.00 0.00 H new ATOM 1113 N SER A 68 14.545 -4.756 6.156 1.00 0.00 N ATOM 1114 CA SER A 68 15.783 -5.490 6.409 1.00 0.00 C ATOM 1115 C SER A 68 16.675 -5.632 5.161 1.00 0.00 C ATOM 1116 O SER A 68 17.419 -6.604 5.062 1.00 0.00 O ATOM 1117 CB SER A 68 15.468 -6.855 7.043 1.00 0.00 C ATOM 1118 OG SER A 68 16.650 -7.513 7.453 1.00 0.00 O ATOM 0 H SER A 68 14.338 -4.050 6.862 1.00 0.00 H new ATOM 0 HA SER A 68 16.368 -4.900 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.809 -6.717 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.932 -7.477 6.326 1.00 0.00 H new ATOM 0 HG SER A 68 17.305 -7.493 6.724 1.00 0.00 H new ATOM 1124 N ASP A 69 16.608 -4.680 4.220 1.00 0.00 N ATOM 1125 CA ASP A 69 17.270 -4.759 2.921 1.00 0.00 C ATOM 1126 C ASP A 69 16.911 -6.045 2.148 1.00 0.00 C ATOM 1127 O ASP A 69 17.779 -6.672 1.544 1.00 0.00 O ATOM 1128 CB ASP A 69 18.787 -4.557 3.097 1.00 0.00 C ATOM 1129 CG ASP A 69 19.552 -4.472 1.775 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.966 -3.976 0.789 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.730 -4.886 1.781 1.00 0.00 O ATOM 0 H ASP A 69 16.079 -3.817 4.349 1.00 0.00 H new ATOM 0 HA ASP A 69 16.897 -3.950 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.960 -3.644 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.189 -5.381 3.687 1.00 0.00 H new ATOM 1136 N LYS A 70 15.633 -6.439 2.139 1.00 0.00 N ATOM 1137 CA LYS A 70 15.100 -7.464 1.248 1.00 0.00 C ATOM 1138 C LYS A 70 13.803 -6.911 0.671 1.00 0.00 C ATOM 1139 O LYS A 70 13.166 -6.067 1.301 1.00 0.00 O ATOM 1140 CB LYS A 70 14.792 -8.782 1.979 1.00 0.00 C ATOM 1141 CG LYS A 70 16.009 -9.683 2.224 1.00 0.00 C ATOM 1142 CD LYS A 70 16.683 -9.386 3.566 1.00 0.00 C ATOM 1143 CE LYS A 70 17.732 -10.454 3.892 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.179 -10.353 5.292 1.00 0.00 N ATOM 0 H LYS A 70 14.930 -6.044 2.764 1.00 0.00 H new ATOM 0 HA LYS A 70 15.843 -7.690 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.331 -8.549 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.056 -9.339 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.698 -10.727 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.730 -9.545 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.155 -8.404 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.933 -9.353 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.314 -11.445 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.587 -10.343 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.889 -11.088 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.599 -9.416 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.365 -10.483 5.926 1.00 0.00 H new ATOM 1158 N LEU A 71 13.404 -7.392 -0.511 1.00 0.00 N ATOM 1159 CA LEU A 71 12.114 -7.040 -1.070 1.00 0.00 C ATOM 1160 C LEU A 71 11.110 -8.036 -0.518 1.00 0.00 C ATOM 1161 O LEU A 71 10.991 -9.166 -0.994 1.00 0.00 O ATOM 1162 CB LEU A 71 12.123 -7.047 -2.603 1.00 0.00 C ATOM 1163 CG LEU A 71 12.755 -5.800 -3.231 1.00 0.00 C ATOM 1164 CD1 LEU A 71 11.972 -4.512 -2.941 1.00 0.00 C ATOM 1165 CD2 LEU A 71 14.236 -5.673 -2.868 1.00 0.00 C ATOM 0 H LEU A 71 13.959 -8.022 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 71 11.849 -6.021 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.664 -7.928 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.098 -7.141 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 71 12.696 -5.940 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.473 -3.667 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.961 -4.603 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.925 -4.349 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.649 -4.777 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.340 -5.602 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.775 -6.549 -3.228 1.00 0.00 H new ATOM 1177 N PHE A 72 10.378 -7.610 0.502 1.00 0.00 N ATOM 1178 CA PHE A 72 9.239 -8.365 0.959 1.00 0.00 C ATOM 1179 C PHE A 72 8.084 -7.951 0.057 1.00 0.00 C ATOM 1180 O PHE A 72 7.594 -6.821 0.143 1.00 0.00 O ATOM 1181 CB PHE A 72 9.000 -8.063 2.437 1.00 0.00 C ATOM 1182 CG PHE A 72 10.068 -8.647 3.341 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.147 -10.034 3.567 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.031 -7.799 3.898 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.171 -10.556 4.378 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.023 -8.311 4.755 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.102 -9.694 4.981 1.00 0.00 C ATOM 0 H PHE A 72 10.558 -6.750 1.020 1.00 0.00 H new ATOM 0 HA PHE A 72 9.374 -9.445 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.961 -6.983 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.027 -8.458 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.422 -10.697 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.013 -6.744 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.242 -11.622 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.721 -7.642 5.237 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.877 -10.095 5.617 1.00 0.00 H new ATOM 1197 N ARG A 73 7.671 -8.868 -0.822 1.00 0.00 N ATOM 1198 CA ARG A 73 6.455 -8.706 -1.586 1.00 0.00 C ATOM 1199 C ARG A 73 5.324 -8.717 -0.571 1.00 0.00 C ATOM 1200 O ARG A 73 5.314 -9.567 0.322 1.00 0.00 O ATOM 1201 CB ARG A 73 6.294 -9.848 -2.596 1.00 0.00 C ATOM 1202 CG ARG A 73 5.196 -9.531 -3.621 1.00 0.00 C ATOM 1203 CD ARG A 73 4.896 -10.779 -4.460 1.00 0.00 C ATOM 1204 NE ARG A 73 4.013 -10.470 -5.592 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.304 -11.371 -6.289 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.310 -12.664 -5.947 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.593 -10.965 -7.345 1.00 0.00 N ATOM 0 H ARG A 73 8.174 -9.734 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 73 6.463 -7.781 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.239 -10.017 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.049 -10.771 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.293 -9.199 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.514 -8.714 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.830 -11.202 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.430 -11.538 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 73 3.932 -9.492 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.859 -12.977 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.766 -13.337 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.594 -9.981 -7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.050 -11.639 -7.884 1.00 0.00 H new ATOM 1221 N ALA A 74 4.398 -7.771 -0.667 1.00 0.00 N ATOM 1222 CA ALA A 74 3.305 -7.703 0.273 1.00 0.00 C ATOM 1223 C ALA A 74 2.069 -7.207 -0.470 1.00 0.00 C ATOM 1224 O ALA A 74 2.100 -6.135 -1.074 1.00 0.00 O ATOM 1225 CB ALA A 74 3.733 -6.837 1.463 1.00 0.00 C ATOM 0 H ALA A 74 4.388 -7.047 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 74 3.044 -8.675 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.916 -6.777 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.605 -7.282 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.983 -5.835 1.113 1.00 0.00 H new ATOM 1231 N ASP A 75 1.005 -8.017 -0.474 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.228 -7.715 -1.173 1.00 0.00 C ATOM 1233 C ASP A 75 -1.330 -7.490 -0.143 1.00 0.00 C ATOM 1234 O ASP A 75 -1.228 -7.952 0.987 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.592 -8.862 -2.129 1.00 0.00 C ATOM 1236 CG ASP A 75 0.306 -8.918 -3.360 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.538 -9.023 -3.172 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.258 -8.860 -4.474 1.00 0.00 O ATOM 0 H ASP A 75 0.986 -8.910 0.018 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.107 -6.812 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.525 -9.809 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.628 -8.748 -2.447 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.394 -6.778 -0.502 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.578 -6.678 0.343 1.00 0.00 C ATOM 1245 C ILE A 76 -4.779 -6.892 -0.557 1.00 0.00 C ATOM 1246 O ILE A 76 -4.838 -6.283 -1.620 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.631 -5.325 1.075 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.605 -5.287 2.226 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.040 -5.075 1.648 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -1.233 -4.728 1.831 1.00 0.00 C ATOM 0 H ILE A 76 -2.460 -6.259 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.562 -7.432 1.129 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.390 -4.546 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.010 -4.683 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.475 -6.297 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.059 -4.114 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.767 -5.066 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.292 -5.868 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.573 -4.737 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.803 -5.344 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.347 -3.705 1.472 1.00 0.00 H new ATOM 1262 N SER A 77 -5.713 -7.749 -0.138 1.00 0.00 N ATOM 1263 CA SER A 77 -6.940 -8.013 -0.870 1.00 0.00 C ATOM 1264 C SER A 77 -8.071 -7.269 -0.183 1.00 0.00 C ATOM 1265 O SER A 77 -8.446 -7.619 0.937 1.00 0.00 O ATOM 1266 CB SER A 77 -7.219 -9.512 -0.912 1.00 0.00 C ATOM 1267 OG SER A 77 -8.312 -9.804 -1.761 1.00 0.00 O ATOM 0 H SER A 77 -5.632 -8.281 0.728 1.00 0.00 H new ATOM 0 HA SER A 77 -6.847 -7.668 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.332 -10.040 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.430 -9.874 0.094 1.00 0.00 H new ATOM 0 HG SER A 77 -8.469 -10.771 -1.772 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.585 -6.231 -0.840 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.817 -5.590 -0.450 1.00 0.00 C ATOM 1275 C GLU A 78 -10.998 -6.162 -1.223 1.00 0.00 C ATOM 1276 O GLU A 78 -10.837 -6.708 -2.309 1.00 0.00 O ATOM 1277 CB GLU A 78 -9.701 -4.078 -0.638 1.00 0.00 C ATOM 1278 CG GLU A 78 -8.619 -3.506 0.291 1.00 0.00 C ATOM 1279 CD GLU A 78 -8.764 -2.005 0.528 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.411 -1.346 -0.319 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -8.204 -1.542 1.545 1.00 0.00 O ATOM 0 H GLU A 78 -8.147 -5.816 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.998 -5.789 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.456 -3.852 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.659 -3.604 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.660 -4.024 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.637 -3.707 -0.138 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.199 -6.029 -0.660 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.425 -6.524 -1.280 1.00 0.00 C ATOM 1290 C ASP A 79 -13.948 -5.502 -2.288 1.00 0.00 C ATOM 1291 O ASP A 79 -13.957 -4.309 -1.997 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.473 -6.814 -0.207 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.794 -7.261 -0.835 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.601 -6.362 -1.162 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -15.963 -8.486 -0.995 1.00 0.00 O ATOM 0 H ASP A 79 -12.348 -5.574 0.241 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.211 -7.452 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.105 -7.590 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.637 -5.921 0.396 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.413 -5.981 -3.445 1.00 0.00 N ATOM 1301 CA TYR A 80 -14.791 -5.155 -4.586 1.00 0.00 C ATOM 1302 C TYR A 80 -15.784 -4.058 -4.188 1.00 0.00 C ATOM 1303 O TYR A 80 -15.580 -2.885 -4.494 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.349 -6.063 -5.699 1.00 0.00 C ATOM 1305 CG TYR A 80 -15.099 -5.587 -7.119 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -13.775 -5.425 -7.572 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -16.157 -5.538 -8.046 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -13.517 -5.143 -8.923 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -15.894 -5.288 -9.405 1.00 0.00 C ATOM 1310 CZ TYR A 80 -14.576 -5.069 -9.841 1.00 0.00 C ATOM 1311 OH TYR A 80 -14.317 -4.866 -11.162 1.00 0.00 O ATOM 0 H TYR A 80 -14.539 -6.979 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 80 -13.908 -4.638 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.914 -7.056 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.424 -6.167 -5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -12.954 -5.518 -6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.173 -5.693 -7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -12.502 -4.983 -9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -16.707 -5.264 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.160 -4.842 -11.661 1.00 0.00 H new ATOM 1321 N LYS A 81 -16.858 -4.447 -3.495 1.00 0.00 N ATOM 1322 CA LYS A 81 -17.925 -3.542 -3.084 1.00 0.00 C ATOM 1323 C LYS A 81 -17.608 -2.872 -1.747 1.00 0.00 C ATOM 1324 O LYS A 81 -17.861 -1.686 -1.564 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.242 -4.339 -3.013 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.463 -3.516 -2.559 1.00 0.00 C ATOM 1327 CD LYS A 81 -20.650 -3.525 -1.033 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.880 -2.708 -0.620 1.00 0.00 C ATOM 1329 NZ LYS A 81 -21.943 -2.544 0.845 1.00 0.00 N ATOM 0 H LYS A 81 -17.009 -5.412 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 81 -18.022 -2.740 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.450 -4.762 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.109 -5.176 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.350 -2.487 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.360 -3.913 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.758 -4.552 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.761 -3.117 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.847 -1.729 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.784 -3.204 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -22.785 -1.987 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -21.999 -3.479 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.090 -2.050 1.176 1.00 0.00 H new ATOM 1343 N THR A 82 -17.135 -3.659 -0.780 1.00 0.00 N ATOM 1344 CA THR A 82 -17.089 -3.270 0.620 1.00 0.00 C ATOM 1345 C THR A 82 -15.800 -2.530 0.964 1.00 0.00 C ATOM 1346 O THR A 82 -15.776 -1.738 1.901 1.00 0.00 O ATOM 1347 CB THR A 82 -17.288 -4.546 1.451 1.00 0.00 C ATOM 1348 OG1 THR A 82 -18.534 -5.127 1.121 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.241 -4.299 2.951 1.00 0.00 C ATOM 0 H THR A 82 -16.770 -4.595 -0.955 1.00 0.00 H new ATOM 0 HA THR A 82 -17.882 -2.558 0.848 1.00 0.00 H new ATOM 0 HB THR A 82 -16.461 -5.214 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.664 -5.943 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.388 -5.241 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.272 -3.879 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.029 -3.600 3.229 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.714 -2.819 0.242 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.391 -2.303 0.545 1.00 0.00 C ATOM 1359 C ARG A 83 -12.985 -2.566 2.004 1.00 0.00 C ATOM 1360 O ARG A 83 -12.349 -1.739 2.654 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.205 -0.858 0.060 1.00 0.00 C ATOM 1362 CG ARG A 83 -12.934 -0.753 -1.453 1.00 0.00 C ATOM 1363 CD ARG A 83 -14.170 -0.893 -2.351 1.00 0.00 C ATOM 1364 NE ARG A 83 -15.059 0.266 -2.221 1.00 0.00 N ATOM 1365 CZ ARG A 83 -16.079 0.539 -3.047 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -16.410 -0.307 -4.031 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -16.766 1.675 -2.888 1.00 0.00 N ATOM 0 H ARG A 83 -14.737 -3.426 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.668 -2.873 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.098 -0.283 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.376 -0.404 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.465 0.210 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.214 -1.523 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.857 -0.999 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.712 -1.801 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.889 0.909 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.884 -1.171 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.188 -0.087 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.512 2.325 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.544 1.892 -3.511 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.315 -3.765 2.506 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.663 -4.302 3.693 1.00 0.00 C ATOM 1383 C GLY A 84 -11.217 -4.614 3.289 1.00 0.00 C ATOM 1384 O GLY A 84 -10.910 -4.468 2.112 1.00 0.00 O ATOM 0 H GLY A 84 -14.028 -4.374 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.691 -3.582 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.171 -5.201 4.042 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.332 -5.048 4.193 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.928 -5.296 3.854 1.00 0.00 C ATOM 1390 C ARG A 85 -8.414 -6.568 4.526 1.00 0.00 C ATOM 1391 O ARG A 85 -8.382 -6.632 5.754 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.028 -4.084 4.185 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.715 -2.849 4.789 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.251 -3.105 6.208 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.706 -2.908 6.277 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.491 -3.300 7.290 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.967 -3.919 8.353 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.806 -3.069 7.232 1.00 0.00 N ATOM 0 H ARG A 85 -10.565 -5.235 5.168 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.880 -5.443 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.256 -4.415 4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.523 -3.777 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.007 -2.021 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.538 -2.544 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.005 -4.122 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.758 -2.434 6.911 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.154 -2.436 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.963 -4.096 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.571 -4.214 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.206 -2.597 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.410 -3.364 7.999 1.00 0.00 H new ATOM 1412 N LYS A 86 -8.010 -7.566 3.728 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.484 -8.834 4.212 1.00 0.00 C ATOM 1414 C LYS A 86 -5.978 -8.940 3.991 1.00 0.00 C ATOM 1415 O LYS A 86 -5.429 -8.465 2.993 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.218 -10.012 3.566 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.722 -10.046 3.870 1.00 0.00 C ATOM 1418 CD LYS A 86 -10.091 -10.538 5.283 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.909 -9.505 6.410 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.829 -9.775 7.529 1.00 0.00 N ATOM 0 H LYS A 86 -8.043 -7.506 2.710 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.659 -8.872 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.076 -9.969 2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.766 -10.942 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.127 -9.043 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.211 -10.690 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.131 -10.863 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.485 -11.414 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.880 -9.529 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.088 -8.502 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.686 -9.065 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.811 -9.728 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.640 -10.723 7.913 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.332 -9.574 4.972 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.895 -9.700 5.107 1.00 0.00 C ATOM 1436 C LEU A 87 -3.375 -10.700 4.074 1.00 0.00 C ATOM 1437 O LEU A 87 -3.467 -11.907 4.275 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.615 -10.143 6.557 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.191 -9.858 7.049 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.155 -9.980 8.579 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.131 -10.796 6.465 1.00 0.00 C ATOM 0 H LEU A 87 -5.833 -10.036 5.731 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.378 -8.759 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.321 -9.641 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.806 -11.213 6.639 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.947 -8.851 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.145 -9.779 8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.846 -9.260 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.449 -10.988 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.151 -10.530 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.365 -11.825 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.121 -10.702 5.379 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.787 -10.183 2.993 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.072 -10.943 1.967 1.00 0.00 C ATOM 1455 C LEU A 88 -0.606 -10.477 1.903 1.00 0.00 C ATOM 1456 O LEU A 88 0.117 -10.766 0.950 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.814 -10.782 0.623 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.521 -12.051 0.117 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -2.514 -13.142 -0.273 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.553 -12.589 1.117 1.00 0.00 C ATOM 0 H LEU A 88 -2.797 -9.181 2.801 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.052 -12.006 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.554 -9.988 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.100 -10.456 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.068 -11.759 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.050 -14.023 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.865 -12.771 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.911 -13.408 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.022 -13.485 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.056 -12.834 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.315 -11.831 1.297 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.184 -9.680 2.891 1.00 0.00 N ATOM 1473 CA ARG A 89 1.137 -9.084 2.941 1.00 0.00 C ATOM 1474 C ARG A 89 2.143 -10.124 3.409 1.00 0.00 C ATOM 1475 O ARG A 89 1.761 -11.156 3.955 1.00 0.00 O ATOM 1476 CB ARG A 89 1.168 -7.779 3.761 1.00 0.00 C ATOM 1477 CG ARG A 89 0.120 -7.666 4.858 1.00 0.00 C ATOM 1478 CD ARG A 89 0.226 -6.269 5.475 1.00 0.00 C ATOM 1479 NE ARG A 89 -1.029 -5.833 6.100 1.00 0.00 N ATOM 1480 CZ ARG A 89 -1.421 -6.219 7.323 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.691 -7.067 8.054 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.551 -5.747 7.835 1.00 0.00 N ATOM 0 H ARG A 89 -0.769 -9.432 3.689 1.00 0.00 H new ATOM 0 HA ARG A 89 1.423 -8.774 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.154 -7.679 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.045 -6.939 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.878 -7.827 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.280 -8.431 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.020 -6.264 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.510 -5.555 4.702 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.635 -5.202 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.185 -7.435 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.010 -7.346 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.120 -5.092 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.851 -6.039 8.765 1.00 0.00 H new ATOM 1496 N PHE A 90 3.428 -9.829 3.198 1.00 0.00 N ATOM 1497 CA PHE A 90 4.533 -10.699 3.556 1.00 0.00 C ATOM 1498 C PHE A 90 4.486 -12.024 2.794 1.00 0.00 C ATOM 1499 O PHE A 90 4.000 -13.028 3.304 1.00 0.00 O ATOM 1500 CB PHE A 90 4.564 -10.907 5.073 1.00 0.00 C ATOM 1501 CG PHE A 90 5.519 -9.995 5.791 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.850 -10.397 6.000 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.057 -8.769 6.288 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.732 -9.562 6.697 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.919 -7.973 7.067 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.266 -8.348 7.221 1.00 0.00 C ATOM 0 H PHE A 90 3.728 -8.957 2.763 1.00 0.00 H new ATOM 0 HA PHE A 90 5.463 -10.214 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.561 -10.754 5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.837 -11.941 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.192 -11.350 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.051 -8.438 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.764 -9.851 6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.547 -7.078 7.544 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.947 -7.695 7.747 1.00 0.00 H new ATOM 1516 N ASN A 91 5.046 -12.039 1.586 1.00 0.00 N ATOM 1517 CA ASN A 91 5.221 -13.244 0.792 1.00 0.00 C ATOM 1518 C ASN A 91 6.586 -13.166 0.097 1.00 0.00 C ATOM 1519 O ASN A 91 7.253 -12.131 0.146 1.00 0.00 O ATOM 1520 CB ASN A 91 4.042 -13.369 -0.182 1.00 0.00 C ATOM 1521 CG ASN A 91 3.811 -14.796 -0.672 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.677 -15.662 -0.575 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.619 -15.061 -1.197 1.00 0.00 N ATOM 0 H ASN A 91 5.395 -11.197 1.128 1.00 0.00 H new ATOM 0 HA ASN A 91 5.220 -14.146 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.137 -13.009 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.219 -12.722 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.406 -16.001 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.917 -14.324 -1.266 1.00 0.00 H new ATOM 1530 N GLY A 92 7.023 -14.266 -0.515 1.00 0.00 N ATOM 1531 CA GLY A 92 8.372 -14.420 -1.026 1.00 0.00 C ATOM 1532 C GLY A 92 9.234 -15.107 0.037 1.00 0.00 C ATOM 1533 O GLY A 92 8.919 -16.242 0.389 1.00 0.00 O ATOM 0 H GLY A 92 6.435 -15.085 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.362 -15.011 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.792 -13.446 -1.279 1.00 0.00 H new ATOM 1537 N PRO A 93 10.289 -14.474 0.579 1.00 0.00 N ATOM 1538 CA PRO A 93 10.784 -13.140 0.257 1.00 0.00 C ATOM 1539 C PRO A 93 11.336 -13.101 -1.168 1.00 0.00 C ATOM 1540 O PRO A 93 11.569 -14.151 -1.763 1.00 0.00 O ATOM 1541 CB PRO A 93 11.889 -12.870 1.283 1.00 0.00 C ATOM 1542 CG PRO A 93 12.431 -14.266 1.586 1.00 0.00 C ATOM 1543 CD PRO A 93 11.169 -15.125 1.537 1.00 0.00 C ATOM 0 HA PRO A 93 9.998 -12.386 0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.662 -12.216 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.498 -12.386 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.168 -14.584 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.916 -14.311 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.400 -16.144 1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.700 -15.189 2.519 1.00 0.00 H new ATOM 1551 N VAL A 94 11.513 -11.899 -1.726 1.00 0.00 N ATOM 1552 CA VAL A 94 11.963 -11.714 -3.099 1.00 0.00 C ATOM 1553 C VAL A 94 13.348 -11.045 -3.065 1.00 0.00 C ATOM 1554 O VAL A 94 13.548 -10.088 -2.313 1.00 0.00 O ATOM 1555 CB VAL A 94 10.897 -10.903 -3.865 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.270 -10.672 -5.333 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.548 -11.637 -3.833 1.00 0.00 C ATOM 0 H VAL A 94 11.345 -11.024 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 94 12.076 -12.659 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 94 10.833 -9.936 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.484 -10.097 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.210 -10.122 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.382 -11.633 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.804 -11.055 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.655 -12.616 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.226 -11.762 -2.799 1.00 0.00 H new ATOM 1567 N PRO A 95 14.338 -11.544 -3.825 1.00 0.00 N ATOM 1568 CA PRO A 95 15.632 -10.887 -3.940 1.00 0.00 C ATOM 1569 C PRO A 95 15.481 -9.609 -4.778 1.00 0.00 C ATOM 1570 O PRO A 95 14.532 -9.492 -5.552 1.00 0.00 O ATOM 1571 CB PRO A 95 16.544 -11.917 -4.615 1.00 0.00 C ATOM 1572 CG PRO A 95 15.577 -12.722 -5.483 1.00 0.00 C ATOM 1573 CD PRO A 95 14.294 -12.741 -4.653 1.00 0.00 C ATOM 0 HA PRO A 95 16.047 -10.579 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.319 -11.438 -5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.050 -12.548 -3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.421 -12.252 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.949 -13.729 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.413 -12.740 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.239 -13.640 -4.038 1.00 0.00 H new ATOM 1581 N PRO A 96 16.389 -8.633 -4.643 1.00 0.00 N ATOM 1582 CA PRO A 96 16.291 -7.385 -5.380 1.00 0.00 C ATOM 1583 C PRO A 96 16.400 -7.633 -6.891 1.00 0.00 C ATOM 1584 O PRO A 96 17.312 -8.339 -7.322 1.00 0.00 O ATOM 1585 CB PRO A 96 17.428 -6.505 -4.850 1.00 0.00 C ATOM 1586 CG PRO A 96 18.449 -7.515 -4.324 1.00 0.00 C ATOM 1587 CD PRO A 96 17.570 -8.652 -3.799 1.00 0.00 C ATOM 0 HA PRO A 96 15.327 -6.896 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.851 -5.880 -5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.083 -5.836 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.122 -7.856 -5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.070 -7.088 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.085 -9.611 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.309 -8.498 -2.752 1.00 0.00 H new ATOM 1595 N PRO A 97 15.492 -7.072 -7.708 1.00 0.00 N ATOM 1596 CA PRO A 97 15.534 -7.233 -9.153 1.00 0.00 C ATOM 1597 C PRO A 97 16.713 -6.457 -9.750 1.00 0.00 C ATOM 1598 O PRO A 97 17.092 -5.424 -9.153 1.00 0.00 O ATOM 1599 CB PRO A 97 14.188 -6.702 -9.656 1.00 0.00 C ATOM 1600 CG PRO A 97 13.821 -5.641 -8.619 1.00 0.00 C ATOM 1601 CD PRO A 97 14.373 -6.227 -7.318 1.00 0.00 C ATOM 1602 OXT PRO A 97 17.200 -6.902 -10.812 1.00 0.00 O ATOM 0 HA PRO A 97 15.683 -8.271 -9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 97 14.272 -6.276 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.438 -7.491 -9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.273 -4.677 -8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.744 -5.484 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.697 -5.438 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.611 -6.804 -6.795 1.00 0.00 H new TER 1610 PRO A 97