USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 62 ASN : amide:sc= -0.28 X(o=0.53,f=0.74) USER MOD Set 1.2: A 81 SER OG : rot 91:sc= 0.808 USER MOD Set 2.1: A 22 SER OG : rot 159:sc= 0.78 USER MOD Set 2.2: A 40 SER OG : rot -160:sc= -0.382 USER MOD Single : A 4 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.43) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.162 F(o=-1,f=-0.16) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 19:sc= 0.944 USER MOD Single : A -1 HIS : no HE2:sc= -0.185 K(o=-0.18,f=-1.3) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -109:sc= 0.026 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.2) USER MOD Single : A 27 ASN : amide:sc= -5.78 K(o=-5.8,f=-14!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.655 F(o=-1.8,f=-0.65) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -7:sc= 0.735 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 55 ASN : amide:sc=-0.00444 X(o=-0.0044,f=-0.067) USER MOD Single : A 60 MET CE :methyl -165:sc=-0.00839 (180deg=-0.268) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 66 MET CE :methyl 173:sc= -5.8! (180deg=-6.35!) USER MOD Single : A 68 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.42) USER MOD Single : A 71 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.29) USER MOD Single : A 76 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.7!) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0734 F(o=-0.65,f=-0.073) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.072) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 76:sc= 0.165! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 22.178 17.360 -10.145 1.00 0.00 N ATOM 2 CA GLY A -7 20.979 16.869 -9.412 1.00 0.00 C ATOM 3 C GLY A -7 19.777 16.686 -10.321 1.00 0.00 C ATOM 4 O GLY A -7 19.643 17.390 -11.321 1.00 0.00 O ATOM 0 H1 GLY A -7 22.882 16.597 -10.209 1.00 0.00 H new ATOM 0 H2 GLY A -7 21.902 17.657 -11.103 1.00 0.00 H new ATOM 0 H3 GLY A -7 22.589 18.169 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A -7 21.215 15.920 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A -7 20.727 17.574 -8.620 1.00 0.00 H new ATOM 10 N PRO A -6 18.879 15.739 -9.996 1.00 0.00 N ATOM 11 CA PRO A -6 17.683 15.478 -10.803 1.00 0.00 C ATOM 12 C PRO A -6 16.736 16.672 -10.836 1.00 0.00 C ATOM 13 O PRO A -6 16.365 17.152 -11.907 1.00 0.00 O ATOM 14 CB PRO A -6 17.021 14.287 -10.101 1.00 0.00 C ATOM 15 CG PRO A -6 17.567 14.301 -8.714 1.00 0.00 C ATOM 16 CD PRO A -6 18.960 14.853 -8.823 1.00 0.00 C ATOM 0 HA PRO A -6 17.934 15.283 -11.846 1.00 0.00 H new ATOM 0 HB2 PRO A -6 15.935 14.385 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A -6 17.255 13.351 -10.608 1.00 0.00 H new ATOM 0 HG2 PRO A -6 16.953 14.919 -8.059 1.00 0.00 H new ATOM 0 HG3 PRO A -6 17.577 13.298 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A -6 19.248 15.399 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A -6 19.697 14.062 -8.965 1.00 0.00 H new ATOM 24 N LEU A -5 16.349 17.147 -9.657 1.00 0.00 N ATOM 25 CA LEU A -5 15.445 18.288 -9.550 1.00 0.00 C ATOM 26 C LEU A -5 14.132 18.015 -10.277 1.00 0.00 C ATOM 27 O LEU A -5 14.074 18.046 -11.506 1.00 0.00 O ATOM 28 CB LEU A -5 16.106 19.544 -10.121 1.00 0.00 C ATOM 29 CG LEU A -5 15.740 20.848 -9.410 1.00 0.00 C ATOM 30 CD1 LEU A -5 14.233 21.048 -9.409 1.00 0.00 C ATOM 31 CD2 LEU A -5 16.281 20.847 -7.989 1.00 0.00 C ATOM 0 H LEU A -5 16.647 16.760 -8.762 1.00 0.00 H new ATOM 0 HA LEU A -5 15.227 18.448 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A -5 17.188 19.417 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A -5 15.835 19.633 -11.173 1.00 0.00 H new ATOM 0 HG LEU A -5 16.196 21.678 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A -5 13.990 21.980 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A -5 13.871 21.091 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU A -5 13.756 20.216 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A -5 16.012 21.782 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A -5 15.853 20.010 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A -5 17.366 20.749 -8.013 1.00 0.00 H new ATOM 43 N GLY A -4 13.081 17.750 -9.509 1.00 0.00 N ATOM 44 CA GLY A -4 11.783 17.477 -10.097 1.00 0.00 C ATOM 45 C GLY A -4 11.714 16.104 -10.738 1.00 0.00 C ATOM 46 O GLY A -4 12.740 15.528 -11.097 1.00 0.00 O ATOM 0 H GLY A -4 13.105 17.719 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY A -4 11.015 17.554 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A -4 11.560 18.236 -10.847 1.00 0.00 H new ATOM 50 N SER A -3 10.501 15.581 -10.880 1.00 0.00 N ATOM 51 CA SER A -3 10.301 14.268 -11.480 1.00 0.00 C ATOM 52 C SER A -3 8.853 14.086 -11.926 1.00 0.00 C ATOM 53 O SER A -3 8.328 12.973 -11.927 1.00 0.00 O ATOM 54 CB SER A -3 10.682 13.167 -10.489 1.00 0.00 C ATOM 55 OG SER A -3 10.035 13.356 -9.242 1.00 0.00 O ATOM 0 H SER A -3 9.642 16.047 -10.588 1.00 0.00 H new ATOM 0 HA SER A -3 10.944 14.197 -12.357 1.00 0.00 H new ATOM 0 HB2 SER A -3 10.410 12.194 -10.899 1.00 0.00 H new ATOM 0 HB3 SER A -3 11.762 13.162 -10.344 1.00 0.00 H new ATOM 0 HG SER A -3 10.294 12.638 -8.627 1.00 0.00 H new ATOM 61 N ASP A -2 8.214 15.188 -12.306 1.00 0.00 N ATOM 62 CA ASP A -2 6.827 15.151 -12.755 1.00 0.00 C ATOM 63 C ASP A -2 5.916 14.599 -11.664 1.00 0.00 C ATOM 64 O ASP A -2 6.384 14.166 -10.611 1.00 0.00 O ATOM 65 CB ASP A -2 6.701 14.299 -14.020 1.00 0.00 C ATOM 66 CG ASP A -2 7.557 14.821 -15.157 1.00 0.00 C ATOM 67 OD1 ASP A -2 7.435 16.019 -15.491 1.00 0.00 O ATOM 68 OD2 ASP A -2 8.350 14.033 -15.714 1.00 0.00 O ATOM 0 H ASP A -2 8.635 16.117 -12.312 1.00 0.00 H new ATOM 0 HA ASP A -2 6.517 16.172 -12.980 1.00 0.00 H new ATOM 0 HB2 ASP A -2 6.990 13.273 -13.793 1.00 0.00 H new ATOM 0 HB3 ASP A -2 5.658 14.275 -14.336 1.00 0.00 H new ATOM 73 N HIS A -1 4.612 14.618 -11.924 1.00 0.00 N ATOM 74 CA HIS A -1 3.634 14.119 -10.964 1.00 0.00 C ATOM 75 C HIS A -1 2.783 13.012 -11.579 1.00 0.00 C ATOM 76 O HIS A -1 1.618 12.839 -11.221 1.00 0.00 O ATOM 77 CB HIS A -1 2.736 15.259 -10.481 1.00 0.00 C ATOM 78 CG HIS A -1 2.102 16.033 -11.595 1.00 0.00 C ATOM 79 ND1 HIS A -1 1.157 15.496 -12.443 1.00 0.00 N ATOM 80 CD2 HIS A -1 2.281 17.314 -11.997 1.00 0.00 C ATOM 81 CE1 HIS A -1 0.784 16.412 -13.320 1.00 0.00 C ATOM 82 NE2 HIS A -1 1.450 17.522 -13.070 1.00 0.00 N ATOM 0 H HIS A -1 4.209 14.973 -12.791 1.00 0.00 H new ATOM 0 HA HIS A -1 4.175 13.706 -10.113 1.00 0.00 H new ATOM 0 HB2 HIS A -1 1.953 14.849 -9.843 1.00 0.00 H new ATOM 0 HB3 HIS A -1 3.325 15.939 -9.866 1.00 0.00 H new ATOM 0 HD1 HIS A -1 0.801 14.541 -12.400 1.00 0.00 H new ATOM 0 HD2 HIS A -1 2.952 18.037 -11.556 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.057 16.275 -14.107 1.00 0.00 H new ATOM 91 N ILE A 1 3.375 12.265 -12.506 1.00 0.00 N ATOM 92 CA ILE A 1 2.671 11.174 -13.169 1.00 0.00 C ATOM 93 C ILE A 1 2.885 9.857 -12.431 1.00 0.00 C ATOM 94 O ILE A 1 4.019 9.458 -12.169 1.00 0.00 O ATOM 95 CB ILE A 1 3.129 11.017 -14.635 1.00 0.00 C ATOM 96 CG1 ILE A 1 2.280 9.961 -15.348 1.00 0.00 C ATOM 97 CG2 ILE A 1 4.605 10.650 -14.699 1.00 0.00 C ATOM 98 CD1 ILE A 1 0.843 10.382 -15.558 1.00 0.00 C ATOM 0 H ILE A 1 4.339 12.395 -12.814 1.00 0.00 H new ATOM 0 HA ILE A 1 1.610 11.424 -13.157 1.00 0.00 H new ATOM 0 HB ILE A 1 2.993 11.971 -15.144 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.730 9.738 -16.315 1.00 0.00 H new ATOM 0 HG13 ILE A 1 2.299 9.039 -14.767 1.00 0.00 H new ATOM 0 HG21 ILE A 1 4.909 10.544 -15.740 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.196 11.435 -14.227 1.00 0.00 H new ATOM 0 HG23 ILE A 1 4.769 9.708 -14.175 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.301 9.586 -16.068 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.376 10.577 -14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.814 11.287 -16.165 1.00 0.00 H new ATOM 110 N TRP A 2 1.787 9.186 -12.096 1.00 0.00 N ATOM 111 CA TRP A 2 1.858 7.915 -11.385 1.00 0.00 C ATOM 112 C TRP A 2 1.770 6.740 -12.354 1.00 0.00 C ATOM 113 O TRP A 2 0.929 6.723 -13.251 1.00 0.00 O ATOM 114 CB TRP A 2 0.739 7.820 -10.345 1.00 0.00 C ATOM 115 CG TRP A 2 -0.597 8.259 -10.860 1.00 0.00 C ATOM 116 CD1 TRP A 2 -1.389 7.597 -11.756 1.00 0.00 C ATOM 117 CD2 TRP A 2 -1.301 9.456 -10.512 1.00 0.00 C ATOM 118 NE1 TRP A 2 -2.540 8.310 -11.985 1.00 0.00 N ATOM 119 CE2 TRP A 2 -2.510 9.456 -11.233 1.00 0.00 C ATOM 120 CE3 TRP A 2 -1.025 10.530 -9.660 1.00 0.00 C ATOM 121 CZ2 TRP A 2 -3.441 10.486 -11.127 1.00 0.00 C ATOM 122 CZ3 TRP A 2 -1.950 11.552 -9.557 1.00 0.00 C ATOM 123 CH2 TRP A 2 -3.146 11.524 -10.285 1.00 0.00 C ATOM 0 H TRP A 2 0.840 9.501 -12.305 1.00 0.00 H new ATOM 0 HA TRP A 2 2.821 7.870 -10.875 1.00 0.00 H new ATOM 0 HB2 TRP A 2 0.664 6.790 -9.997 1.00 0.00 H new ATOM 0 HB3 TRP A 2 1.004 8.430 -9.481 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -1.145 6.651 -12.217 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -3.295 8.032 -12.613 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -0.106 10.560 -9.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -4.363 10.467 -11.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -1.747 12.387 -8.903 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -3.849 12.337 -10.180 1.00 0.00 H new ATOM 134 N GLU A 3 2.644 5.758 -12.160 1.00 0.00 N ATOM 135 CA GLU A 3 2.667 4.574 -13.011 1.00 0.00 C ATOM 136 C GLU A 3 2.251 3.340 -12.221 1.00 0.00 C ATOM 137 O GLU A 3 2.437 3.283 -11.007 1.00 0.00 O ATOM 138 CB GLU A 3 4.064 4.370 -13.602 1.00 0.00 C ATOM 139 CG GLU A 3 4.072 3.526 -14.866 1.00 0.00 C ATOM 140 CD GLU A 3 4.513 4.306 -16.089 1.00 0.00 C ATOM 141 OE1 GLU A 3 5.709 4.655 -16.171 1.00 0.00 O ATOM 142 OE2 GLU A 3 3.660 4.570 -16.963 1.00 0.00 O ATOM 0 H GLU A 3 3.346 5.759 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 3 1.958 4.724 -13.825 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.502 5.344 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.700 3.896 -12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.737 2.674 -14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.073 3.126 -15.037 1.00 0.00 H new ATOM 149 N GLN A 4 1.684 2.356 -12.909 1.00 0.00 N ATOM 150 CA GLN A 4 1.240 1.130 -12.256 1.00 0.00 C ATOM 151 C GLN A 4 2.156 -0.040 -12.599 1.00 0.00 C ATOM 152 O GLN A 4 2.506 -0.251 -13.759 1.00 0.00 O ATOM 153 CB GLN A 4 -0.198 0.804 -12.662 1.00 0.00 C ATOM 154 CG GLN A 4 -1.025 0.201 -11.538 1.00 0.00 C ATOM 155 CD GLN A 4 -2.497 0.101 -11.887 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.052 -0.994 -11.982 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.139 1.247 -12.080 1.00 0.00 N ATOM 0 H GLN A 4 1.521 2.382 -13.916 1.00 0.00 H new ATOM 0 HA GLN A 4 1.280 1.290 -11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.684 1.715 -13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.181 0.110 -13.502 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.643 -0.792 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.909 0.808 -10.640 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.640 2.132 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.131 1.242 -12.317 1.00 0.00 H new ATOM 166 N HIS A 5 2.535 -0.802 -11.577 1.00 0.00 N ATOM 167 CA HIS A 5 3.406 -1.957 -11.760 1.00 0.00 C ATOM 168 C HIS A 5 2.797 -3.198 -11.115 1.00 0.00 C ATOM 169 O HIS A 5 2.271 -3.135 -10.004 1.00 0.00 O ATOM 170 CB HIS A 5 4.786 -1.682 -11.161 1.00 0.00 C ATOM 171 CG HIS A 5 5.503 -0.540 -11.811 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.145 0.757 -11.967 1.00 0.00 N flip ATOM 173 CD2 HIS A 5 6.746 -0.665 -12.395 1.00 0.00 C flip ATOM 174 CE1 HIS A 5 6.167 1.383 -12.636 1.00 0.00 C flip ATOM 175 NE2 HIS A 5 7.121 0.505 -12.882 1.00 0.00 N flip ATOM 0 H HIS A 5 2.251 -0.639 -10.611 1.00 0.00 H new ATOM 0 HA HIS A 5 3.513 -2.137 -12.830 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.676 -1.473 -10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.397 -2.581 -11.248 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.323 -1.577 -12.446 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.187 2.426 -12.916 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.998 0.697 -13.366 1.00 0.00 H new ATOM 184 N THR A 6 2.866 -4.322 -11.821 1.00 0.00 N ATOM 185 CA THR A 6 2.316 -5.574 -11.314 1.00 0.00 C ATOM 186 C THR A 6 3.423 -6.509 -10.836 1.00 0.00 C ATOM 187 O THR A 6 4.297 -6.900 -11.611 1.00 0.00 O ATOM 188 CB THR A 6 1.480 -6.264 -12.395 1.00 0.00 C ATOM 189 OG1 THR A 6 1.138 -5.354 -13.425 1.00 0.00 O ATOM 190 CG2 THR A 6 0.194 -6.861 -11.865 1.00 0.00 C ATOM 0 H THR A 6 3.296 -4.392 -12.743 1.00 0.00 H new ATOM 0 HA THR A 6 1.677 -5.338 -10.463 1.00 0.00 H new ATOM 0 HB THR A 6 2.108 -7.070 -12.774 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.606 -5.816 -14.106 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.351 -7.334 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.425 -7.606 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.420 -6.073 -11.428 1.00 0.00 H new ATOM 198 N VAL A 7 3.375 -6.868 -9.557 1.00 0.00 N ATOM 199 CA VAL A 7 4.367 -7.763 -8.974 1.00 0.00 C ATOM 200 C VAL A 7 3.735 -9.095 -8.590 1.00 0.00 C ATOM 201 O VAL A 7 2.542 -9.161 -8.294 1.00 0.00 O ATOM 202 CB VAL A 7 5.024 -7.141 -7.728 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.184 -8.000 -7.249 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.488 -5.722 -8.020 1.00 0.00 C ATOM 0 H VAL A 7 2.658 -6.552 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 7 5.133 -7.928 -9.732 1.00 0.00 H new ATOM 0 HB VAL A 7 4.280 -7.099 -6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.635 -7.544 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.819 -8.995 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.930 -8.077 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.950 -5.299 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.215 -5.737 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.633 -5.112 -8.310 1.00 0.00 H new ATOM 214 N THR A 8 4.536 -10.156 -8.600 1.00 0.00 N ATOM 215 CA THR A 8 4.046 -11.487 -8.255 1.00 0.00 C ATOM 216 C THR A 8 4.728 -12.016 -6.996 1.00 0.00 C ATOM 217 O THR A 8 5.934 -12.259 -6.988 1.00 0.00 O ATOM 218 CB THR A 8 4.276 -12.455 -9.417 1.00 0.00 C ATOM 219 OG1 THR A 8 5.658 -12.717 -9.585 1.00 0.00 O ATOM 220 CG2 THR A 8 3.743 -11.943 -10.737 1.00 0.00 C ATOM 0 H THR A 8 5.526 -10.121 -8.843 1.00 0.00 H new ATOM 0 HA THR A 8 2.977 -11.410 -8.059 1.00 0.00 H new ATOM 0 HB THR A 8 3.731 -13.361 -9.150 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.137 -12.486 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.939 -12.678 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.669 -11.777 -10.656 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.237 -11.005 -10.989 1.00 0.00 H new ATOM 228 N LEU A 9 3.946 -12.194 -5.936 1.00 0.00 N ATOM 229 CA LEU A 9 4.473 -12.697 -4.673 1.00 0.00 C ATOM 230 C LEU A 9 4.050 -14.145 -4.446 1.00 0.00 C ATOM 231 O LEU A 9 2.865 -14.440 -4.299 1.00 0.00 O ATOM 232 CB LEU A 9 3.993 -11.827 -3.507 1.00 0.00 C ATOM 233 CG LEU A 9 3.890 -10.331 -3.811 1.00 0.00 C ATOM 234 CD1 LEU A 9 2.991 -9.641 -2.798 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.272 -9.695 -3.822 1.00 0.00 C ATOM 0 H LEU A 9 2.945 -11.997 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 9 5.561 -12.656 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.015 -12.185 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.674 -11.965 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 9 3.447 -10.209 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.930 -8.578 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.994 -10.079 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.404 -9.771 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.181 -8.631 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.741 -9.827 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.885 -10.171 -4.587 1.00 0.00 H new ATOM 247 N HIS A 10 5.028 -15.046 -4.421 1.00 0.00 N ATOM 248 CA HIS A 10 4.754 -16.464 -4.212 1.00 0.00 C ATOM 249 C HIS A 10 4.440 -16.745 -2.746 1.00 0.00 C ATOM 250 O HIS A 10 5.216 -16.397 -1.857 1.00 0.00 O ATOM 251 CB HIS A 10 5.949 -17.306 -4.660 1.00 0.00 C ATOM 252 CG HIS A 10 7.250 -16.863 -4.069 1.00 0.00 C ATOM 253 ND1 HIS A 10 8.038 -15.881 -4.633 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.902 -17.271 -2.955 1.00 0.00 C ATOM 255 CE1 HIS A 10 9.118 -15.706 -3.891 1.00 0.00 C ATOM 256 NE2 HIS A 10 9.060 -16.537 -2.867 1.00 0.00 N ATOM 0 H HIS A 10 6.015 -14.820 -4.543 1.00 0.00 H new ATOM 0 HA HIS A 10 3.884 -16.734 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.772 -18.347 -4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.022 -17.269 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.573 -18.032 -2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.913 -15.002 -4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.761 -16.621 -2.130 1.00 0.00 H new ATOM 265 N ARG A 11 3.296 -17.377 -2.502 1.00 0.00 N ATOM 266 CA ARG A 11 2.881 -17.703 -1.143 1.00 0.00 C ATOM 267 C ARG A 11 3.868 -18.664 -0.488 1.00 0.00 C ATOM 268 O ARG A 11 4.127 -19.751 -1.003 1.00 0.00 O ATOM 269 CB ARG A 11 1.480 -18.317 -1.146 1.00 0.00 C ATOM 270 CG ARG A 11 0.366 -17.288 -1.023 1.00 0.00 C ATOM 271 CD ARG A 11 -0.624 -17.660 0.070 1.00 0.00 C ATOM 272 NE ARG A 11 0.034 -17.858 1.360 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.596 -18.271 2.457 1.00 0.00 C ATOM 274 NH1 ARG A 11 -1.897 -18.531 2.426 1.00 0.00 N ATOM 275 NH2 ARG A 11 0.078 -18.427 3.589 1.00 0.00 N ATOM 0 H ARG A 11 2.642 -17.673 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 11 2.863 -16.779 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.342 -18.882 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.401 -19.026 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.796 -16.310 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.158 -17.203 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.374 -16.875 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.150 -18.572 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 11 1.034 -17.669 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.420 -18.415 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.374 -18.847 3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.078 -18.230 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.404 -18.744 4.430 1.00 0.00 H new ATOM 289 N ALA A 12 4.416 -18.254 0.653 1.00 0.00 N ATOM 290 CA ALA A 12 5.376 -19.078 1.377 1.00 0.00 C ATOM 291 C ALA A 12 4.889 -19.368 2.796 1.00 0.00 C ATOM 292 O ALA A 12 4.294 -18.506 3.444 1.00 0.00 O ATOM 293 CB ALA A 12 6.735 -18.396 1.415 1.00 0.00 C ATOM 0 H ALA A 12 4.211 -17.358 1.094 1.00 0.00 H new ATOM 0 HA ALA A 12 5.473 -20.027 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.442 -19.023 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.094 -18.243 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.645 -17.432 1.916 1.00 0.00 H new ATOM 299 N PRO A 13 5.136 -20.590 3.302 1.00 0.00 N ATOM 300 CA PRO A 13 4.718 -20.983 4.652 1.00 0.00 C ATOM 301 C PRO A 13 5.247 -20.034 5.720 1.00 0.00 C ATOM 302 O PRO A 13 6.329 -19.464 5.578 1.00 0.00 O ATOM 303 CB PRO A 13 5.328 -22.377 4.829 1.00 0.00 C ATOM 304 CG PRO A 13 5.529 -22.886 3.445 1.00 0.00 C ATOM 305 CD PRO A 13 5.838 -21.682 2.603 1.00 0.00 C ATOM 0 HA PRO A 13 3.634 -20.963 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.271 -22.329 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.665 -23.029 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.345 -23.607 3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.636 -23.397 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.911 -21.497 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.478 -21.803 1.581 1.00 0.00 H new ATOM 313 N GLY A 14 4.479 -19.871 6.793 1.00 0.00 N ATOM 314 CA GLY A 14 4.890 -18.992 7.872 1.00 0.00 C ATOM 315 C GLY A 14 4.597 -17.533 7.579 1.00 0.00 C ATOM 316 O GLY A 14 3.868 -16.878 8.324 1.00 0.00 O ATOM 0 H GLY A 14 3.580 -20.332 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.378 -19.285 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.958 -19.116 8.050 1.00 0.00 H new ATOM 320 N PHE A 15 5.167 -17.022 6.493 1.00 0.00 N ATOM 321 CA PHE A 15 4.963 -15.632 6.106 1.00 0.00 C ATOM 322 C PHE A 15 3.664 -15.469 5.323 1.00 0.00 C ATOM 323 O PHE A 15 2.659 -15.005 5.861 1.00 0.00 O ATOM 324 CB PHE A 15 6.146 -15.135 5.271 1.00 0.00 C ATOM 325 CG PHE A 15 7.440 -15.085 6.032 1.00 0.00 C ATOM 326 CD1 PHE A 15 7.478 -14.609 7.333 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.620 -15.514 5.445 1.00 0.00 C ATOM 328 CE1 PHE A 15 8.668 -14.563 8.034 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.813 -15.470 6.140 1.00 0.00 C ATOM 330 CZ PHE A 15 9.837 -14.993 7.438 1.00 0.00 C ATOM 0 H PHE A 15 5.774 -17.550 5.866 1.00 0.00 H new ATOM 0 HA PHE A 15 4.893 -15.034 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.268 -15.786 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.919 -14.139 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.567 -14.270 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.607 -15.887 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.684 -14.191 9.048 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.725 -15.807 5.671 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.768 -14.957 7.984 1.00 0.00 H new ATOM 340 N GLY A 16 3.689 -15.856 4.051 1.00 0.00 N ATOM 341 CA GLY A 16 2.505 -15.745 3.220 1.00 0.00 C ATOM 342 C GLY A 16 2.734 -14.900 1.983 1.00 0.00 C ATOM 343 O GLY A 16 3.366 -15.346 1.027 1.00 0.00 O ATOM 0 H GLY A 16 4.507 -16.244 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.183 -16.742 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.695 -15.311 3.806 1.00 0.00 H new ATOM 347 N PHE A 17 2.215 -13.676 1.999 1.00 0.00 N ATOM 348 CA PHE A 17 2.361 -12.767 0.866 1.00 0.00 C ATOM 349 C PHE A 17 3.620 -11.917 1.006 1.00 0.00 C ATOM 350 O PHE A 17 4.220 -11.510 0.011 1.00 0.00 O ATOM 351 CB PHE A 17 1.133 -11.855 0.734 1.00 0.00 C ATOM 352 CG PHE A 17 -0.085 -12.352 1.464 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.536 -13.650 1.285 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.774 -11.520 2.331 1.00 0.00 C ATOM 355 CE1 PHE A 17 -1.654 -14.108 1.957 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.892 -11.972 3.006 1.00 0.00 C ATOM 357 CZ PHE A 17 -2.332 -13.268 2.819 1.00 0.00 C ATOM 0 H PHE A 17 1.690 -13.290 2.784 1.00 0.00 H new ATOM 0 HA PHE A 17 2.447 -13.376 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.388 -10.864 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.889 -11.743 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.008 -14.311 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.434 -10.506 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.997 -15.121 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.421 -11.313 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.205 -13.624 3.346 1.00 0.00 H new ATOM 367 N GLY A 18 4.013 -11.647 2.246 1.00 0.00 N ATOM 368 CA GLY A 18 5.196 -10.842 2.490 1.00 0.00 C ATOM 369 C GLY A 18 4.855 -9.449 2.982 1.00 0.00 C ATOM 370 O GLY A 18 5.678 -8.790 3.619 1.00 0.00 O ATOM 0 H GLY A 18 3.534 -11.971 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.826 -11.341 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.778 -10.768 1.571 1.00 0.00 H new ATOM 374 N ILE A 19 3.640 -8.998 2.685 1.00 0.00 N ATOM 375 CA ILE A 19 3.192 -7.675 3.101 1.00 0.00 C ATOM 376 C ILE A 19 1.776 -7.728 3.666 1.00 0.00 C ATOM 377 O ILE A 19 1.053 -8.704 3.467 1.00 0.00 O ATOM 378 CB ILE A 19 3.228 -6.677 1.927 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.387 -7.200 0.760 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.663 -6.426 1.485 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.969 -6.672 0.750 1.00 0.00 C ATOM 0 H ILE A 19 2.948 -9.530 2.157 1.00 0.00 H new ATOM 0 HA ILE A 19 3.878 -7.336 3.878 1.00 0.00 H new ATOM 0 HB ILE A 19 2.803 -5.730 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.873 -6.929 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.360 -8.289 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.670 -5.719 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.233 -6.014 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.115 -7.365 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.433 -7.085 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.465 -6.965 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.986 -5.585 0.676 1.00 0.00 H new ATOM 393 N ALA A 20 1.387 -6.671 4.374 1.00 0.00 N ATOM 394 CA ALA A 20 0.057 -6.597 4.968 1.00 0.00 C ATOM 395 C ALA A 20 -0.769 -5.487 4.328 1.00 0.00 C ATOM 396 O ALA A 20 -0.271 -4.386 4.093 1.00 0.00 O ATOM 397 CB ALA A 20 0.162 -6.380 6.471 1.00 0.00 C ATOM 0 H ALA A 20 1.974 -5.855 4.550 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.450 -7.544 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.838 -6.327 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.707 -7.210 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.692 -5.448 6.668 1.00 0.00 H new ATOM 403 N ILE A 21 -2.035 -5.783 4.051 1.00 0.00 N ATOM 404 CA ILE A 21 -2.929 -4.807 3.439 1.00 0.00 C ATOM 405 C ILE A 21 -3.753 -4.079 4.495 1.00 0.00 C ATOM 406 O ILE A 21 -4.127 -4.659 5.514 1.00 0.00 O ATOM 407 CB ILE A 21 -3.885 -5.465 2.424 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.733 -6.550 3.106 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.104 -6.031 1.245 1.00 0.00 C ATOM 410 CD1 ILE A 21 -4.117 -7.937 3.082 1.00 0.00 C ATOM 0 H ILE A 21 -2.464 -6.689 4.240 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.296 -4.092 2.914 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.564 -4.704 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.905 -6.261 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.708 -6.591 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.795 -6.492 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.560 -5.227 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.397 -6.780 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.782 -8.639 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.970 -8.252 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.156 -7.917 3.595 1.00 0.00 H new ATOM 422 N SER A 22 -4.033 -2.804 4.243 1.00 0.00 N ATOM 423 CA SER A 22 -4.814 -1.995 5.172 1.00 0.00 C ATOM 424 C SER A 22 -5.816 -1.122 4.422 1.00 0.00 C ATOM 425 O SER A 22 -5.474 -0.481 3.428 1.00 0.00 O ATOM 426 CB SER A 22 -3.889 -1.118 6.017 1.00 0.00 C ATOM 427 OG SER A 22 -4.377 -0.990 7.342 1.00 0.00 O ATOM 0 H SER A 22 -3.731 -2.309 3.404 1.00 0.00 H new ATOM 0 HA SER A 22 -5.365 -2.668 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.889 -1.551 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.802 -0.132 5.561 1.00 0.00 H new ATOM 0 HG SER A 22 -3.643 -0.732 7.938 1.00 0.00 H new ATOM 433 N GLY A 23 -7.054 -1.100 4.906 1.00 0.00 N ATOM 434 CA GLY A 23 -8.085 -0.302 4.269 1.00 0.00 C ATOM 435 C GLY A 23 -9.414 -1.028 4.185 1.00 0.00 C ATOM 436 O GLY A 23 -9.735 -1.851 5.041 1.00 0.00 O ATOM 0 H GLY A 23 -7.361 -1.620 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.217 0.626 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.760 -0.029 3.265 1.00 0.00 H new ATOM 440 N GLY A 24 -10.188 -0.719 3.150 1.00 0.00 N ATOM 441 CA GLY A 24 -11.482 -1.355 2.975 1.00 0.00 C ATOM 442 C GLY A 24 -12.577 -0.357 2.653 1.00 0.00 C ATOM 443 O GLY A 24 -12.739 0.644 3.351 1.00 0.00 O ATOM 0 H GLY A 24 -9.943 -0.040 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.417 -2.090 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.744 -1.897 3.884 1.00 0.00 H new ATOM 447 N ARG A 25 -13.331 -0.629 1.592 1.00 0.00 N ATOM 448 CA ARG A 25 -14.415 0.256 1.179 1.00 0.00 C ATOM 449 C ARG A 25 -15.587 0.181 2.153 1.00 0.00 C ATOM 450 O ARG A 25 -16.345 1.140 2.301 1.00 0.00 O ATOM 451 CB ARG A 25 -14.880 -0.099 -0.235 1.00 0.00 C ATOM 452 CG ARG A 25 -15.562 -1.456 -0.337 1.00 0.00 C ATOM 453 CD ARG A 25 -16.769 -1.404 -1.259 1.00 0.00 C ATOM 454 NE ARG A 25 -17.988 -1.034 -0.544 1.00 0.00 N ATOM 455 CZ ARG A 25 -19.217 -1.255 -1.009 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.392 -1.843 -2.185 1.00 0.00 N ATOM 457 NH2 ARG A 25 -20.271 -0.887 -0.294 1.00 0.00 N ATOM 0 H ARG A 25 -13.212 -1.454 1.004 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.036 1.278 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.569 0.670 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.020 -0.084 -0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.851 -2.195 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.874 -1.783 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.585 -0.685 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.907 -2.377 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.893 -0.580 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.584 -2.128 -2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.335 -2.010 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.141 -0.435 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.212 -1.056 -0.649 1.00 0.00 H new ATOM 471 N ASP A 26 -15.733 -0.964 2.814 1.00 0.00 N ATOM 472 CA ASP A 26 -16.814 -1.159 3.773 1.00 0.00 C ATOM 473 C ASP A 26 -16.282 -1.694 5.099 1.00 0.00 C ATOM 474 O ASP A 26 -17.005 -2.348 5.850 1.00 0.00 O ATOM 475 CB ASP A 26 -17.858 -2.121 3.204 1.00 0.00 C ATOM 476 CG ASP A 26 -19.274 -1.714 3.560 1.00 0.00 C ATOM 477 OD1 ASP A 26 -19.841 -0.855 2.852 1.00 0.00 O ATOM 478 OD2 ASP A 26 -19.818 -2.254 4.547 1.00 0.00 O ATOM 0 H ASP A 26 -15.117 -1.769 2.703 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.280 -0.191 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -17.757 -2.163 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -17.666 -3.126 3.581 1.00 0.00 H new ATOM 483 N ASN A 27 -15.013 -1.413 5.382 1.00 0.00 N ATOM 484 CA ASN A 27 -14.389 -1.867 6.619 1.00 0.00 C ATOM 485 C ASN A 27 -15.044 -1.206 7.832 1.00 0.00 C ATOM 486 O ASN A 27 -15.719 -0.184 7.701 1.00 0.00 O ATOM 487 CB ASN A 27 -12.891 -1.560 6.601 1.00 0.00 C ATOM 488 CG ASN A 27 -12.605 -0.074 6.532 1.00 0.00 C ATOM 489 OD1 ASN A 27 -13.513 0.749 6.647 1.00 0.00 O ATOM 490 ND2 ASN A 27 -11.339 0.278 6.344 1.00 0.00 N ATOM 0 H ASN A 27 -14.398 -0.874 4.772 1.00 0.00 H new ATOM 0 HA ASN A 27 -14.530 -2.945 6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.427 -1.975 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.432 -2.055 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.087 1.265 6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.618 -0.438 6.254 1.00 0.00 H new ATOM 497 N PRO A 28 -14.854 -1.783 9.031 1.00 0.00 N ATOM 498 CA PRO A 28 -15.433 -1.245 10.268 1.00 0.00 C ATOM 499 C PRO A 28 -15.165 0.248 10.436 1.00 0.00 C ATOM 500 O PRO A 28 -15.934 0.957 11.085 1.00 0.00 O ATOM 501 CB PRO A 28 -14.727 -2.043 11.363 1.00 0.00 C ATOM 502 CG PRO A 28 -14.366 -3.334 10.714 1.00 0.00 C ATOM 503 CD PRO A 28 -14.065 -3.006 9.277 1.00 0.00 C ATOM 0 HA PRO A 28 -16.519 -1.339 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.842 -1.521 11.726 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.379 -2.200 12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.502 -3.787 11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.185 -4.050 10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.000 -2.835 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.361 -3.816 8.610 1.00 0.00 H new ATOM 511 N HIS A 29 -14.070 0.719 9.848 1.00 0.00 N ATOM 512 CA HIS A 29 -13.703 2.128 9.934 1.00 0.00 C ATOM 513 C HIS A 29 -13.041 2.599 8.644 1.00 0.00 C ATOM 514 O HIS A 29 -12.048 2.023 8.199 1.00 0.00 O ATOM 515 CB HIS A 29 -12.762 2.361 11.118 1.00 0.00 C ATOM 516 CG HIS A 29 -12.791 3.763 11.640 1.00 0.00 C ATOM 517 ND1 HIS A 29 -13.942 4.375 12.092 1.00 0.00 N ATOM 518 CD2 HIS A 29 -11.801 4.677 11.783 1.00 0.00 C ATOM 519 CE1 HIS A 29 -13.659 5.603 12.489 1.00 0.00 C ATOM 520 NE2 HIS A 29 -12.367 5.811 12.312 1.00 0.00 N ATOM 0 H HIS A 29 -13.422 0.146 9.307 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.615 2.705 10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -13.029 1.677 11.923 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -11.744 2.116 10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.761 4.539 11.528 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.364 6.316 12.890 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.870 6.674 12.532 1.00 0.00 H new ATOM 529 N PHE A 30 -13.596 3.649 8.047 1.00 0.00 N ATOM 530 CA PHE A 30 -13.058 4.195 6.806 1.00 0.00 C ATOM 531 C PHE A 30 -13.151 5.718 6.794 1.00 0.00 C ATOM 532 O PHE A 30 -13.914 6.310 7.558 1.00 0.00 O ATOM 533 CB PHE A 30 -13.804 3.619 5.601 1.00 0.00 C ATOM 534 CG PHE A 30 -15.296 3.594 5.774 1.00 0.00 C ATOM 535 CD1 PHE A 30 -15.890 2.702 6.653 1.00 0.00 C ATOM 536 CD2 PHE A 30 -16.105 4.460 5.055 1.00 0.00 C ATOM 537 CE1 PHE A 30 -17.262 2.676 6.813 1.00 0.00 C ATOM 538 CE2 PHE A 30 -17.478 4.438 5.211 1.00 0.00 C ATOM 539 CZ PHE A 30 -18.057 3.544 6.090 1.00 0.00 C ATOM 0 H PHE A 30 -14.417 4.138 8.402 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.007 3.912 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.559 4.208 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.451 2.604 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.273 2.020 7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.657 5.160 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.713 1.978 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -18.097 5.119 4.646 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.130 3.524 6.212 1.00 0.00 H new ATOM 549 N GLN A 31 -12.372 6.344 5.919 1.00 0.00 N ATOM 550 CA GLN A 31 -12.365 7.797 5.802 1.00 0.00 C ATOM 551 C GLN A 31 -12.259 8.222 4.341 1.00 0.00 C ATOM 552 O GLN A 31 -11.492 7.643 3.571 1.00 0.00 O ATOM 553 CB GLN A 31 -11.205 8.390 6.603 1.00 0.00 C ATOM 554 CG GLN A 31 -9.855 7.780 6.261 1.00 0.00 C ATOM 555 CD GLN A 31 -8.919 8.769 5.593 1.00 0.00 C ATOM 556 OE1 GLN A 31 -8.959 8.816 4.267 1.00 0.00 O flip ATOM 557 NE2 GLN A 31 -8.169 9.480 6.261 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.736 5.867 5.280 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.305 8.174 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.164 9.465 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.399 8.249 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.390 7.404 7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.004 6.925 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.172 9.410 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.544 10.139 5.797 1.00 0.00 H new ATOM 566 N SER A 32 -13.032 9.236 3.967 1.00 0.00 N ATOM 567 CA SER A 32 -13.024 9.736 2.597 1.00 0.00 C ATOM 568 C SER A 32 -11.745 10.515 2.309 1.00 0.00 C ATOM 569 O SER A 32 -11.116 11.057 3.219 1.00 0.00 O ATOM 570 CB SER A 32 -14.242 10.627 2.350 1.00 0.00 C ATOM 571 OG SER A 32 -15.438 9.865 2.339 1.00 0.00 O ATOM 0 H SER A 32 -13.671 9.727 4.592 1.00 0.00 H new ATOM 0 HA SER A 32 -13.066 8.879 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.301 11.391 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.129 11.147 1.398 1.00 0.00 H new ATOM 0 HG SER A 32 -16.202 10.458 2.181 1.00 0.00 H new ATOM 577 N GLY A 33 -11.365 10.568 1.036 1.00 0.00 N ATOM 578 CA GLY A 33 -10.164 11.284 0.648 1.00 0.00 C ATOM 579 C GLY A 33 -9.136 10.391 -0.026 1.00 0.00 C ATOM 580 O GLY A 33 -8.123 10.877 -0.529 1.00 0.00 O ATOM 0 H GLY A 33 -11.868 10.127 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.433 12.095 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.718 11.741 1.531 1.00 0.00 H new ATOM 584 N GLU A 34 -9.395 9.086 -0.041 1.00 0.00 N ATOM 585 CA GLU A 34 -8.479 8.135 -0.663 1.00 0.00 C ATOM 586 C GLU A 34 -9.232 6.912 -1.179 1.00 0.00 C ATOM 587 O GLU A 34 -9.146 6.573 -2.359 1.00 0.00 O ATOM 588 CB GLU A 34 -7.397 7.704 0.331 1.00 0.00 C ATOM 589 CG GLU A 34 -7.929 7.397 1.722 1.00 0.00 C ATOM 590 CD GLU A 34 -6.855 7.482 2.788 1.00 0.00 C ATOM 591 OE1 GLU A 34 -6.022 8.410 2.719 1.00 0.00 O ATOM 592 OE2 GLU A 34 -6.846 6.619 3.692 1.00 0.00 O ATOM 0 H GLU A 34 -10.228 8.664 0.369 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.003 8.630 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.891 6.820 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.649 8.493 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.731 8.095 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.364 6.398 1.728 1.00 0.00 H new ATOM 599 N THR A 35 -9.970 6.256 -0.289 1.00 0.00 N ATOM 600 CA THR A 35 -10.741 5.071 -0.655 1.00 0.00 C ATOM 601 C THR A 35 -9.856 4.023 -1.323 1.00 0.00 C ATOM 602 O THR A 35 -10.284 3.335 -2.250 1.00 0.00 O ATOM 603 CB THR A 35 -11.891 5.453 -1.590 1.00 0.00 C ATOM 604 OG1 THR A 35 -11.416 5.678 -2.906 1.00 0.00 O ATOM 605 CG2 THR A 35 -12.635 6.696 -1.148 1.00 0.00 C ATOM 0 H THR A 35 -10.051 6.525 0.692 1.00 0.00 H new ATOM 0 HA THR A 35 -11.150 4.642 0.260 1.00 0.00 H new ATOM 0 HB THR A 35 -12.580 4.609 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.436 5.651 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.437 6.911 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.058 6.533 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.946 7.540 -1.114 1.00 0.00 H new ATOM 613 N SER A 36 -8.621 3.904 -0.847 1.00 0.00 N ATOM 614 CA SER A 36 -7.679 2.938 -1.400 1.00 0.00 C ATOM 615 C SER A 36 -6.968 2.170 -0.291 1.00 0.00 C ATOM 616 O SER A 36 -6.780 2.684 0.811 1.00 0.00 O ATOM 617 CB SER A 36 -6.651 3.644 -2.286 1.00 0.00 C ATOM 618 OG SER A 36 -6.196 4.843 -1.683 1.00 0.00 O ATOM 0 H SER A 36 -8.249 4.464 -0.080 1.00 0.00 H new ATOM 0 HA SER A 36 -8.243 2.227 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.805 2.980 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.095 3.867 -3.256 1.00 0.00 H new ATOM 0 HG SER A 36 -5.539 5.274 -2.268 1.00 0.00 H new ATOM 624 N ILE A 37 -6.577 0.935 -0.592 1.00 0.00 N ATOM 625 CA ILE A 37 -5.885 0.096 0.380 1.00 0.00 C ATOM 626 C ILE A 37 -4.372 0.250 0.257 1.00 0.00 C ATOM 627 O ILE A 37 -3.821 0.194 -0.843 1.00 0.00 O ATOM 628 CB ILE A 37 -6.257 -1.390 0.203 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.778 -1.560 0.174 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.648 -2.228 1.318 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.255 -2.554 -0.862 1.00 0.00 C ATOM 0 H ILE A 37 -6.727 0.494 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.202 0.426 1.369 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.853 -1.737 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.118 -1.882 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.240 -0.593 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.921 -3.274 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.563 -2.130 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.024 -1.881 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.342 -2.624 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.945 -2.223 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.822 -3.532 -0.654 1.00 0.00 H new ATOM 643 N VAL A 38 -3.708 0.445 1.391 1.00 0.00 N ATOM 644 CA VAL A 38 -2.261 0.610 1.410 1.00 0.00 C ATOM 645 C VAL A 38 -1.600 -0.443 2.294 1.00 0.00 C ATOM 646 O VAL A 38 -2.269 -1.121 3.075 1.00 0.00 O ATOM 647 CB VAL A 38 -1.861 2.009 1.914 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.006 3.039 0.804 1.00 0.00 C ATOM 649 CG2 VAL A 38 -2.690 2.399 3.129 1.00 0.00 C ATOM 0 H VAL A 38 -4.150 0.493 2.309 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.916 0.489 0.383 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.814 1.980 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.719 4.021 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.361 2.767 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.042 3.068 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.392 3.391 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.746 2.410 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.526 1.676 3.928 1.00 0.00 H new ATOM 659 N ILE A 39 -0.285 -0.575 2.164 1.00 0.00 N ATOM 660 CA ILE A 39 0.467 -1.545 2.950 1.00 0.00 C ATOM 661 C ILE A 39 0.656 -1.065 4.384 1.00 0.00 C ATOM 662 O ILE A 39 1.275 -0.028 4.625 1.00 0.00 O ATOM 663 CB ILE A 39 1.850 -1.822 2.327 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.715 -2.091 0.827 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.518 -2.998 3.025 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.809 -3.258 0.501 1.00 0.00 C ATOM 0 H ILE A 39 0.282 -0.022 1.521 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.114 -2.467 2.953 1.00 0.00 H new ATOM 0 HB ILE A 39 2.476 -0.940 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.330 -1.196 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.704 -2.282 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.493 -3.182 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.644 -2.769 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.895 -3.886 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.761 -3.390 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.204 -4.164 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.191 -3.061 0.888 1.00 0.00 H new ATOM 678 N SER A 40 0.119 -1.825 5.332 1.00 0.00 N ATOM 679 CA SER A 40 0.229 -1.476 6.744 1.00 0.00 C ATOM 680 C SER A 40 1.617 -1.814 7.281 1.00 0.00 C ATOM 681 O SER A 40 2.393 -0.925 7.629 1.00 0.00 O ATOM 682 CB SER A 40 -0.841 -2.208 7.558 1.00 0.00 C ATOM 683 OG SER A 40 -1.840 -1.311 8.010 1.00 0.00 O ATOM 0 H SER A 40 -0.396 -2.686 5.149 1.00 0.00 H new ATOM 0 HA SER A 40 0.074 -0.401 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.297 -2.987 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.378 -2.702 8.412 1.00 0.00 H new ATOM 0 HG SER A 40 -2.320 -1.710 8.765 1.00 0.00 H new ATOM 689 N ASP A 41 1.921 -3.107 7.345 1.00 0.00 N ATOM 690 CA ASP A 41 3.215 -3.565 7.838 1.00 0.00 C ATOM 691 C ASP A 41 3.723 -4.741 7.009 1.00 0.00 C ATOM 692 O ASP A 41 2.937 -5.480 6.416 1.00 0.00 O ATOM 693 CB ASP A 41 3.110 -3.968 9.311 1.00 0.00 C ATOM 694 CG ASP A 41 3.780 -2.969 10.234 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.840 -2.429 9.855 1.00 0.00 O ATOM 696 OD2 ASP A 41 3.243 -2.726 11.336 1.00 0.00 O ATOM 0 H ASP A 41 1.289 -3.856 7.062 1.00 0.00 H new ATOM 0 HA ASP A 41 3.926 -2.744 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.059 -4.063 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.565 -4.949 9.450 1.00 0.00 H new ATOM 701 N VAL A 42 5.041 -4.909 6.973 1.00 0.00 N ATOM 702 CA VAL A 42 5.649 -5.996 6.215 1.00 0.00 C ATOM 703 C VAL A 42 6.613 -6.800 7.078 1.00 0.00 C ATOM 704 O VAL A 42 7.154 -6.295 8.062 1.00 0.00 O ATOM 705 CB VAL A 42 6.404 -5.469 4.979 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.441 -4.805 4.007 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.504 -4.505 5.395 1.00 0.00 C ATOM 0 H VAL A 42 5.707 -4.308 7.459 1.00 0.00 H new ATOM 0 HA VAL A 42 4.835 -6.642 5.887 1.00 0.00 H new ATOM 0 HB VAL A 42 6.868 -6.315 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.993 -4.439 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.694 -5.530 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.945 -3.969 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.026 -4.144 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.066 -3.661 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.210 -5.018 6.048 1.00 0.00 H new ATOM 717 N LEU A 43 6.825 -8.055 6.700 1.00 0.00 N ATOM 718 CA LEU A 43 7.727 -8.936 7.436 1.00 0.00 C ATOM 719 C LEU A 43 9.179 -8.727 7.008 1.00 0.00 C ATOM 720 O LEU A 43 10.102 -9.160 7.698 1.00 0.00 O ATOM 721 CB LEU A 43 7.332 -10.401 7.231 1.00 0.00 C ATOM 722 CG LEU A 43 6.944 -10.780 5.798 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.775 -11.956 5.311 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.458 -11.101 5.714 1.00 0.00 C ATOM 0 H LEU A 43 6.385 -8.487 5.888 1.00 0.00 H new ATOM 0 HA LEU A 43 7.641 -8.686 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.164 -11.032 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.494 -10.630 7.889 1.00 0.00 H new ATOM 0 HG LEU A 43 7.148 -9.927 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.484 -12.210 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.831 -11.688 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.606 -12.815 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.201 -11.368 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.228 -11.937 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.880 -10.229 6.018 1.00 0.00 H new ATOM 736 N LYS A 44 9.376 -8.064 5.867 1.00 0.00 N ATOM 737 CA LYS A 44 10.717 -7.799 5.348 1.00 0.00 C ATOM 738 C LYS A 44 11.595 -9.047 5.413 1.00 0.00 C ATOM 739 O LYS A 44 12.789 -8.964 5.705 1.00 0.00 O ATOM 740 CB LYS A 44 11.373 -6.651 6.121 1.00 0.00 C ATOM 741 CG LYS A 44 11.677 -6.980 7.572 1.00 0.00 C ATOM 742 CD LYS A 44 12.521 -5.896 8.223 1.00 0.00 C ATOM 743 CE LYS A 44 13.438 -6.469 9.291 1.00 0.00 C ATOM 744 NZ LYS A 44 14.239 -5.409 9.963 1.00 0.00 N ATOM 0 H LYS A 44 8.622 -7.701 5.285 1.00 0.00 H new ATOM 0 HA LYS A 44 10.617 -7.510 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.300 -6.372 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.717 -5.781 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.744 -7.096 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.201 -7.934 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.117 -5.392 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.869 -5.144 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.843 -7.000 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.109 -7.200 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.851 -5.841 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.827 -4.919 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.599 -4.725 10.416 1.00 0.00 H new ATOM 758 N GLY A 45 10.996 -10.201 5.138 1.00 0.00 N ATOM 759 CA GLY A 45 11.737 -11.449 5.170 1.00 0.00 C ATOM 760 C GLY A 45 11.123 -12.516 4.284 1.00 0.00 C ATOM 761 O GLY A 45 11.345 -13.708 4.495 1.00 0.00 O ATOM 0 H GLY A 45 10.010 -10.295 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.764 -11.266 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.781 -11.815 6.196 1.00 0.00 H new ATOM 765 N GLY A 46 10.348 -12.090 3.291 1.00 0.00 N ATOM 766 CA GLY A 46 9.712 -13.031 2.388 1.00 0.00 C ATOM 767 C GLY A 46 9.741 -12.561 0.945 1.00 0.00 C ATOM 768 O GLY A 46 10.669 -11.865 0.537 1.00 0.00 O ATOM 0 H GLY A 46 10.149 -11.109 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.213 -13.996 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.678 -13.184 2.696 1.00 0.00 H new ATOM 772 N PRO A 47 8.727 -12.931 0.142 1.00 0.00 N ATOM 773 CA PRO A 47 8.652 -12.535 -1.269 1.00 0.00 C ATOM 774 C PRO A 47 8.352 -11.050 -1.441 1.00 0.00 C ATOM 775 O PRO A 47 8.745 -10.438 -2.434 1.00 0.00 O ATOM 776 CB PRO A 47 7.499 -13.381 -1.813 1.00 0.00 C ATOM 777 CG PRO A 47 6.641 -13.657 -0.628 1.00 0.00 C ATOM 778 CD PRO A 47 7.577 -13.762 0.545 1.00 0.00 C ATOM 0 HA PRO A 47 9.597 -12.694 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.947 -12.847 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.863 -14.305 -2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.915 -12.858 -0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.077 -14.580 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.116 -13.392 1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.873 -14.794 0.731 1.00 0.00 H new ATOM 786 N ALA A 48 7.652 -10.475 -0.468 1.00 0.00 N ATOM 787 CA ALA A 48 7.298 -9.061 -0.514 1.00 0.00 C ATOM 788 C ALA A 48 8.006 -8.281 0.589 1.00 0.00 C ATOM 789 O ALA A 48 7.456 -7.328 1.141 1.00 0.00 O ATOM 790 CB ALA A 48 5.791 -8.891 -0.396 1.00 0.00 C ATOM 0 H ALA A 48 7.319 -10.966 0.361 1.00 0.00 H new ATOM 0 HA ALA A 48 7.625 -8.661 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.541 -7.831 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.301 -9.408 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.450 -9.313 0.550 1.00 0.00 H new ATOM 796 N GLU A 49 9.229 -8.695 0.907 1.00 0.00 N ATOM 797 CA GLU A 49 10.014 -8.036 1.946 1.00 0.00 C ATOM 798 C GLU A 49 10.176 -6.547 1.654 1.00 0.00 C ATOM 799 O GLU A 49 10.106 -5.717 2.559 1.00 0.00 O ATOM 800 CB GLU A 49 11.392 -8.692 2.075 1.00 0.00 C ATOM 801 CG GLU A 49 12.035 -9.033 0.740 1.00 0.00 C ATOM 802 CD GLU A 49 13.451 -8.501 0.622 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.385 -9.193 1.078 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.624 -7.393 0.071 1.00 0.00 O ATOM 0 H GLU A 49 9.698 -9.483 0.460 1.00 0.00 H new ATOM 0 HA GLU A 49 9.476 -8.146 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.053 -8.023 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.297 -9.603 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.046 -10.115 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.428 -8.622 -0.067 1.00 0.00 H new ATOM 811 N GLY A 50 10.395 -6.217 0.385 1.00 0.00 N ATOM 812 CA GLY A 50 10.565 -4.827 0.002 1.00 0.00 C ATOM 813 C GLY A 50 9.971 -4.521 -1.360 1.00 0.00 C ATOM 814 O GLY A 50 10.382 -3.568 -2.023 1.00 0.00 O ATOM 0 H GLY A 50 10.458 -6.885 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.097 -4.188 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.627 -4.583 -0.006 1.00 0.00 H new ATOM 818 N GLN A 51 8.998 -5.326 -1.777 1.00 0.00 N ATOM 819 CA GLN A 51 8.348 -5.131 -3.068 1.00 0.00 C ATOM 820 C GLN A 51 7.197 -4.139 -2.948 1.00 0.00 C ATOM 821 O GLN A 51 7.051 -3.238 -3.775 1.00 0.00 O ATOM 822 CB GLN A 51 7.833 -6.466 -3.610 1.00 0.00 C ATOM 823 CG GLN A 51 8.929 -7.494 -3.837 1.00 0.00 C ATOM 824 CD GLN A 51 9.703 -7.247 -5.117 1.00 0.00 C ATOM 825 OE1 GLN A 51 9.400 -7.826 -6.160 1.00 0.00 O ATOM 826 NE2 GLN A 51 10.711 -6.385 -5.042 1.00 0.00 N ATOM 0 H GLN A 51 8.643 -6.118 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 51 9.084 -4.726 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.102 -6.874 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.311 -6.290 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.617 -7.479 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.487 -8.490 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.926 -5.928 -4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.270 -6.180 -5.871 1.00 0.00 H new ATOM 835 N LEU A 52 6.381 -4.309 -1.912 1.00 0.00 N ATOM 836 CA LEU A 52 5.242 -3.428 -1.681 1.00 0.00 C ATOM 837 C LEU A 52 5.348 -2.748 -0.320 1.00 0.00 C ATOM 838 O LEU A 52 5.483 -3.412 0.708 1.00 0.00 O ATOM 839 CB LEU A 52 3.934 -4.216 -1.771 1.00 0.00 C ATOM 840 CG LEU A 52 3.725 -4.975 -3.083 1.00 0.00 C ATOM 841 CD1 LEU A 52 4.086 -6.443 -2.914 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.288 -4.829 -3.561 1.00 0.00 C ATOM 0 H LEU A 52 6.488 -5.050 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 52 5.247 -2.658 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.899 -4.929 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.102 -3.526 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 52 4.383 -4.545 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.931 -6.967 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.132 -6.529 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.454 -6.887 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.158 -5.375 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.611 -5.232 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.064 -3.775 -3.723 1.00 0.00 H new ATOM 854 N GLN A 53 5.285 -1.421 -0.320 1.00 0.00 N ATOM 855 CA GLN A 53 5.374 -0.651 0.916 1.00 0.00 C ATOM 856 C GLN A 53 4.487 0.588 0.849 1.00 0.00 C ATOM 857 O GLN A 53 3.905 0.892 -0.191 1.00 0.00 O ATOM 858 CB GLN A 53 6.823 -0.244 1.187 1.00 0.00 C ATOM 859 CG GLN A 53 7.420 0.641 0.105 1.00 0.00 C ATOM 860 CD GLN A 53 8.577 -0.020 -0.620 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.698 -0.061 -0.114 1.00 0.00 O ATOM 862 NE2 GLN A 53 8.309 -0.542 -1.811 1.00 0.00 N ATOM 0 H GLN A 53 5.173 -0.856 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 53 5.025 -1.282 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.872 0.280 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.431 -1.143 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.645 0.899 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.762 1.574 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.365 -0.485 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.048 -1.000 -2.345 1.00 0.00 H new ATOM 871 N GLU A 54 4.389 1.300 1.969 1.00 0.00 N ATOM 872 CA GLU A 54 3.572 2.508 2.044 1.00 0.00 C ATOM 873 C GLU A 54 3.895 3.463 0.898 1.00 0.00 C ATOM 874 O GLU A 54 3.030 4.204 0.432 1.00 0.00 O ATOM 875 CB GLU A 54 3.788 3.212 3.384 1.00 0.00 C ATOM 876 CG GLU A 54 3.244 2.438 4.573 1.00 0.00 C ATOM 877 CD GLU A 54 3.042 3.312 5.795 1.00 0.00 C ATOM 878 OE1 GLU A 54 3.984 4.046 6.163 1.00 0.00 O ATOM 879 OE2 GLU A 54 1.941 3.266 6.383 1.00 0.00 O ATOM 0 H GLU A 54 4.866 1.061 2.838 1.00 0.00 H new ATOM 0 HA GLU A 54 2.527 2.211 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.855 3.380 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.312 4.192 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.294 1.978 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.931 1.628 4.820 1.00 0.00 H new ATOM 886 N ASN A 55 5.146 3.438 0.448 1.00 0.00 N ATOM 887 CA ASN A 55 5.582 4.300 -0.644 1.00 0.00 C ATOM 888 C ASN A 55 4.862 3.939 -1.941 1.00 0.00 C ATOM 889 O ASN A 55 4.643 4.795 -2.799 1.00 0.00 O ATOM 890 CB ASN A 55 7.096 4.191 -0.835 1.00 0.00 C ATOM 891 CG ASN A 55 7.839 5.375 -0.249 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.558 6.526 -0.583 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.795 5.097 0.629 1.00 0.00 N ATOM 0 H ASN A 55 5.875 2.830 0.823 1.00 0.00 H new ATOM 0 HA ASN A 55 5.331 5.329 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.453 3.274 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.321 4.115 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.331 5.853 1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.994 4.128 0.876 1.00 0.00 H new ATOM 900 N ASP A 56 4.498 2.668 -2.076 1.00 0.00 N ATOM 901 CA ASP A 56 3.802 2.196 -3.268 1.00 0.00 C ATOM 902 C ASP A 56 2.305 2.068 -3.007 1.00 0.00 C ATOM 903 O ASP A 56 1.877 1.265 -2.178 1.00 0.00 O ATOM 904 CB ASP A 56 4.371 0.848 -3.719 1.00 0.00 C ATOM 905 CG ASP A 56 5.888 0.833 -3.740 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.497 1.904 -3.536 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.467 -0.251 -3.960 1.00 0.00 O ATOM 0 H ASP A 56 4.673 1.947 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 56 3.954 2.928 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.013 0.065 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.995 0.614 -4.715 1.00 0.00 H new ATOM 912 N ARG A 57 1.516 2.863 -3.721 1.00 0.00 N ATOM 913 CA ARG A 57 0.066 2.838 -3.567 1.00 0.00 C ATOM 914 C ARG A 57 -0.546 1.689 -4.360 1.00 0.00 C ATOM 915 O ARG A 57 -0.361 1.589 -5.572 1.00 0.00 O ATOM 916 CB ARG A 57 -0.539 4.167 -4.023 1.00 0.00 C ATOM 917 CG ARG A 57 0.102 5.382 -3.373 1.00 0.00 C ATOM 918 CD ARG A 57 -0.636 6.661 -3.732 1.00 0.00 C ATOM 919 NE ARG A 57 -0.255 7.774 -2.865 1.00 0.00 N ATOM 920 CZ ARG A 57 -0.606 9.039 -3.086 1.00 0.00 C ATOM 921 NH1 ARG A 57 -1.342 9.357 -4.144 1.00 0.00 N ATOM 922 NH2 ARG A 57 -0.219 9.989 -2.247 1.00 0.00 N ATOM 0 H ARG A 57 1.856 3.532 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.159 2.687 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.440 4.250 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.606 4.166 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.108 5.256 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.142 5.460 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.427 6.921 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.710 6.493 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 57 0.313 7.570 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.642 8.630 -4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.607 10.328 -4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.347 9.751 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.487 10.959 -2.415 1.00 0.00 H new ATOM 936 N VAL A 58 -1.277 0.821 -3.666 1.00 0.00 N ATOM 937 CA VAL A 58 -1.917 -0.323 -4.304 1.00 0.00 C ATOM 938 C VAL A 58 -3.161 0.104 -5.075 1.00 0.00 C ATOM 939 O VAL A 58 -3.996 0.850 -4.561 1.00 0.00 O ATOM 940 CB VAL A 58 -2.309 -1.396 -3.272 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.800 -2.656 -3.968 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.136 -1.707 -2.354 1.00 0.00 C ATOM 0 H VAL A 58 -1.440 0.889 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.190 -0.746 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.125 -1.006 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.072 -3.402 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.672 -2.419 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.009 -3.052 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.431 -2.467 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.298 -2.075 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.837 -0.801 -1.826 1.00 0.00 H new ATOM 952 N ALA A 59 -3.280 -0.373 -6.309 1.00 0.00 N ATOM 953 CA ALA A 59 -4.424 -0.041 -7.151 1.00 0.00 C ATOM 954 C ALA A 59 -5.252 -1.282 -7.466 1.00 0.00 C ATOM 955 O ALA A 59 -6.482 -1.251 -7.408 1.00 0.00 O ATOM 956 CB ALA A 59 -3.955 0.626 -8.436 1.00 0.00 C ATOM 0 H ALA A 59 -2.598 -0.991 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.059 0.656 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.818 0.869 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.413 1.540 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.298 -0.053 -8.979 1.00 0.00 H new ATOM 962 N MET A 60 -4.571 -2.374 -7.798 1.00 0.00 N ATOM 963 CA MET A 60 -5.245 -3.627 -8.120 1.00 0.00 C ATOM 964 C MET A 60 -4.469 -4.818 -7.569 1.00 0.00 C ATOM 965 O MET A 60 -3.241 -4.789 -7.491 1.00 0.00 O ATOM 966 CB MET A 60 -5.408 -3.767 -9.635 1.00 0.00 C ATOM 967 CG MET A 60 -6.318 -4.914 -10.045 1.00 0.00 C ATOM 968 SD MET A 60 -6.897 -4.767 -11.746 1.00 0.00 S ATOM 969 CE MET A 60 -8.572 -4.189 -11.485 1.00 0.00 C ATOM 0 H MET A 60 -3.553 -2.417 -7.851 1.00 0.00 H new ATOM 0 HA MET A 60 -6.231 -3.611 -7.655 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.807 -2.836 -10.037 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.426 -3.914 -10.086 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.783 -5.857 -9.927 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.177 -4.949 -9.375 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.144 -4.303 -12.406 1.00 0.00 H new ATOM 0 HE2 MET A 60 -9.040 -4.774 -10.693 1.00 0.00 H new ATOM 0 HE3 MET A 60 -8.553 -3.138 -11.197 1.00 0.00 H new ATOM 979 N VAL A 61 -5.193 -5.864 -7.185 1.00 0.00 N ATOM 980 CA VAL A 61 -4.575 -7.065 -6.640 1.00 0.00 C ATOM 981 C VAL A 61 -5.295 -8.322 -7.120 1.00 0.00 C ATOM 982 O VAL A 61 -6.521 -8.403 -7.073 1.00 0.00 O ATOM 983 CB VAL A 61 -4.568 -7.042 -5.098 1.00 0.00 C ATOM 984 CG1 VAL A 61 -5.989 -7.015 -4.554 1.00 0.00 C ATOM 985 CG2 VAL A 61 -3.800 -8.234 -4.546 1.00 0.00 C ATOM 0 H VAL A 61 -6.211 -5.903 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.546 -7.083 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.063 -6.133 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.961 -6.999 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.501 -6.124 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.524 -7.903 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.807 -8.199 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.271 -9.158 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.771 -8.201 -4.903 1.00 0.00 H new ATOM 995 N ASN A 62 -4.522 -9.300 -7.580 1.00 0.00 N ATOM 996 CA ASN A 62 -5.077 -10.560 -8.069 1.00 0.00 C ATOM 997 C ASN A 62 -6.248 -10.325 -9.024 1.00 0.00 C ATOM 998 O ASN A 62 -7.175 -11.134 -9.093 1.00 0.00 O ATOM 999 CB ASN A 62 -5.530 -11.430 -6.894 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.154 -12.887 -7.076 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -5.996 -13.776 -6.959 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -3.882 -13.137 -7.363 1.00 0.00 N ATOM 0 H ASN A 62 -3.504 -9.245 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.291 -11.076 -8.620 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.083 -11.054 -5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.611 -11.348 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.569 -14.099 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.218 -12.368 -7.451 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.196 -9.222 -9.764 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.252 -8.913 -10.710 1.00 0.00 C ATOM 1011 C GLY A 63 -8.322 -8.007 -10.132 1.00 0.00 C ATOM 1012 O GLY A 63 -9.026 -7.321 -10.872 1.00 0.00 O ATOM 0 H GLY A 63 -5.441 -8.537 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.817 -8.437 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.713 -9.841 -11.046 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.451 -8.006 -8.810 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.452 -7.178 -8.146 1.00 0.00 C ATOM 1018 C VAL A 64 -8.888 -5.807 -7.788 1.00 0.00 C ATOM 1019 O VAL A 64 -7.742 -5.686 -7.364 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.994 -7.865 -6.876 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -8.902 -8.034 -5.829 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -11.170 -7.085 -6.310 1.00 0.00 C ATOM 0 H VAL A 64 -7.878 -8.566 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.274 -7.045 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.341 -8.860 -7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.316 -8.521 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.098 -8.646 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.509 -7.056 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.540 -7.584 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.848 -6.075 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.966 -7.036 -7.053 1.00 0.00 H new ATOM 1032 N SER A 65 -9.703 -4.772 -7.966 1.00 0.00 N ATOM 1033 CA SER A 65 -9.283 -3.409 -7.665 1.00 0.00 C ATOM 1034 C SER A 65 -9.167 -3.191 -6.159 1.00 0.00 C ATOM 1035 O SER A 65 -10.030 -3.619 -5.392 1.00 0.00 O ATOM 1036 CB SER A 65 -10.271 -2.404 -8.261 1.00 0.00 C ATOM 1037 OG SER A 65 -10.015 -1.093 -7.788 1.00 0.00 O ATOM 0 H SER A 65 -10.657 -4.852 -8.317 1.00 0.00 H new ATOM 0 HA SER A 65 -8.301 -3.254 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.200 -2.422 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.289 -2.694 -8.003 1.00 0.00 H new ATOM 0 HG SER A 65 -10.659 -0.470 -8.185 1.00 0.00 H new ATOM 1043 N MET A 66 -8.096 -2.522 -5.742 1.00 0.00 N ATOM 1044 CA MET A 66 -7.870 -2.246 -4.328 1.00 0.00 C ATOM 1045 C MET A 66 -8.237 -0.805 -3.985 1.00 0.00 C ATOM 1046 O MET A 66 -7.742 -0.246 -3.008 1.00 0.00 O ATOM 1047 CB MET A 66 -6.409 -2.511 -3.961 1.00 0.00 C ATOM 1048 CG MET A 66 -6.087 -3.985 -3.772 1.00 0.00 C ATOM 1049 SD MET A 66 -5.998 -4.462 -2.035 1.00 0.00 S ATOM 1050 CE MET A 66 -4.349 -3.906 -1.615 1.00 0.00 C ATOM 0 H MET A 66 -7.372 -2.161 -6.363 1.00 0.00 H new ATOM 0 HA MET A 66 -8.511 -2.912 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.767 -2.105 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.171 -1.975 -3.042 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.848 -4.586 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.136 -4.210 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.190 -4.017 -0.542 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.615 -4.504 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.237 -2.858 -1.892 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.109 -0.209 -4.793 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.542 1.165 -4.571 1.00 0.00 C ATOM 1062 C ASP A 67 -11.059 1.240 -4.416 1.00 0.00 C ATOM 1063 O ASP A 67 -11.662 2.293 -4.627 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.090 2.058 -5.729 1.00 0.00 C ATOM 1065 CG ASP A 67 -7.773 2.753 -5.444 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -6.773 2.047 -5.195 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -7.742 4.001 -5.471 1.00 0.00 O ATOM 0 H ASP A 67 -9.529 -0.657 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.083 1.520 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.991 1.455 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.857 2.807 -5.928 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.669 0.118 -4.045 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.114 0.057 -3.861 1.00 0.00 C ATOM 1074 C ASN A 68 -13.538 -1.325 -3.372 1.00 0.00 C ATOM 1075 O ASN A 68 -14.590 -1.835 -3.757 1.00 0.00 O ATOM 1076 CB ASN A 68 -13.831 0.388 -5.172 1.00 0.00 C ATOM 1077 CG ASN A 68 -15.285 0.760 -4.956 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -16.183 -0.058 -5.155 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -15.525 2.000 -4.548 1.00 0.00 N ATOM 0 H ASN A 68 -11.184 -0.761 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.393 0.794 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.317 1.213 -5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.774 -0.470 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.484 2.307 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.750 2.646 -4.395 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.712 -1.927 -2.523 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.000 -3.249 -1.983 1.00 0.00 C ATOM 1088 C VAL A 69 -12.664 -3.321 -0.497 1.00 0.00 C ATOM 1089 O VAL A 69 -11.861 -2.535 0.007 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.216 -4.344 -2.729 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.675 -4.440 -4.175 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.720 -4.076 -2.654 1.00 0.00 C ATOM 0 H VAL A 69 -11.837 -1.519 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.068 -3.421 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.415 -5.300 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.109 -5.219 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.737 -4.684 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.509 -3.485 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.183 -4.860 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.500 -3.111 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.404 -4.064 -1.611 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.282 -4.269 0.199 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.048 -4.445 1.626 1.00 0.00 C ATOM 1104 C GLU A 70 -11.751 -5.206 1.876 1.00 0.00 C ATOM 1105 O GLU A 70 -11.305 -5.984 1.032 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.220 -5.188 2.270 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.581 -4.657 1.850 1.00 0.00 C ATOM 1108 CD GLU A 70 -16.726 -5.425 2.482 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.962 -5.246 3.696 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -17.387 -6.203 1.763 1.00 0.00 O ATOM 0 H GLU A 70 -13.949 -4.927 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.961 -3.457 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.156 -6.245 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.131 -5.119 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.658 -3.605 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.668 -4.709 0.765 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.148 -4.975 3.037 1.00 0.00 N ATOM 1118 CA HIS A 71 -9.900 -5.640 3.396 1.00 0.00 C ATOM 1119 C HIS A 71 -10.056 -7.157 3.348 1.00 0.00 C ATOM 1120 O HIS A 71 -9.171 -7.867 2.869 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.451 -5.207 4.794 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.446 -5.522 5.867 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.255 -6.516 6.804 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -11.648 -4.967 6.152 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -11.296 -6.560 7.616 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -12.154 -5.629 7.243 1.00 0.00 N ATOM 0 H HIS A 71 -11.503 -4.333 3.746 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.141 -5.348 2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.506 -5.696 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.262 -4.134 4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.121 -4.155 5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.423 -7.242 8.444 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.048 -5.433 7.693 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.188 -7.646 3.844 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.462 -9.079 3.855 1.00 0.00 C ATOM 1137 C ALA A 72 -11.730 -9.598 2.448 1.00 0.00 C ATOM 1138 O ALA A 72 -11.341 -10.714 2.101 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.641 -9.381 4.766 1.00 0.00 C ATOM 0 H ALA A 72 -11.930 -7.072 4.243 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.579 -9.591 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.836 -10.453 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.410 -9.054 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.524 -8.852 4.406 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.400 -8.782 1.639 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.721 -9.159 0.268 1.00 0.00 C ATOM 1147 C PHE A 73 -11.473 -9.146 -0.608 1.00 0.00 C ATOM 1148 O PHE A 73 -11.298 -10.005 -1.471 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.774 -8.211 -0.309 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.799 -8.900 -1.164 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.928 -9.469 -0.595 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -14.635 -8.978 -2.537 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.872 -10.104 -1.378 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -15.576 -9.612 -3.327 1.00 0.00 C ATOM 1155 CZ PHE A 73 -16.695 -10.175 -2.747 1.00 0.00 C ATOM 0 H PHE A 73 -12.731 -7.856 1.910 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.121 -10.173 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.280 -7.701 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.275 -7.444 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -16.071 -9.415 0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.762 -8.538 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -17.746 -10.544 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.436 -9.667 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 73 -17.431 -10.670 -3.362 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.609 -8.162 -0.381 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.377 -8.035 -1.149 1.00 0.00 C ATOM 1167 C ALA A 74 -8.358 -9.095 -0.745 1.00 0.00 C ATOM 1168 O ALA A 74 -7.657 -9.650 -1.591 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.789 -6.642 -0.972 1.00 0.00 C ATOM 0 H ALA A 74 -10.740 -7.441 0.329 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.619 -8.189 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.869 -6.559 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.505 -5.898 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.571 -6.470 0.082 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.275 -9.369 0.554 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.335 -10.357 1.069 1.00 0.00 C ATOM 1177 C VAL A 75 -7.765 -11.779 0.716 1.00 0.00 C ATOM 1178 O VAL A 75 -6.955 -12.585 0.262 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.174 -10.239 2.599 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -8.488 -10.539 3.306 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -6.069 -11.161 3.094 1.00 0.00 C ATOM 0 H VAL A 75 -8.848 -8.920 1.268 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.376 -10.150 0.594 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.892 -9.213 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.350 -10.450 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.248 -9.830 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.808 -11.552 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.971 -11.063 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.317 -12.193 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.127 -10.888 2.618 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.041 -12.084 0.931 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.564 -13.413 0.636 1.00 0.00 C ATOM 1193 C GLN A 76 -9.358 -13.769 -0.834 1.00 0.00 C ATOM 1194 O GLN A 76 -9.199 -14.939 -1.182 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.051 -13.493 0.991 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.938 -12.626 0.109 1.00 0.00 C ATOM 1197 CD GLN A 76 -12.828 -13.443 -0.807 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.008 -14.644 -0.611 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.391 -12.790 -1.819 1.00 0.00 N ATOM 0 H GLN A 76 -9.729 -11.432 1.307 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.015 -14.132 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.379 -14.530 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.184 -13.194 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.559 -11.989 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.312 -11.966 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.214 -11.793 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.000 -13.286 -2.470 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.363 -12.755 -1.691 1.00 0.00 N ATOM 1209 CA GLN A 77 -9.178 -12.961 -3.123 1.00 0.00 C ATOM 1210 C GLN A 77 -7.733 -13.333 -3.443 1.00 0.00 C ATOM 1211 O GLN A 77 -7.475 -14.309 -4.148 1.00 0.00 O ATOM 1212 CB GLN A 77 -9.578 -11.702 -3.896 1.00 0.00 C ATOM 1213 CG GLN A 77 -11.001 -11.742 -4.428 1.00 0.00 C ATOM 1214 CD GLN A 77 -11.060 -12.054 -5.911 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.410 -11.054 -6.712 1.00 0.00 O flip ATOM 1216 NE2 GLN A 77 -10.794 -13.179 -6.331 1.00 0.00 N flip ATOM 0 H GLN A 77 -9.493 -11.781 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.819 -13.787 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.467 -10.835 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.891 -11.564 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.569 -12.493 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.481 -10.781 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.530 -13.917 -5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.838 -13.373 -7.331 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.793 -12.548 -2.925 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.375 -12.797 -3.163 1.00 0.00 C ATOM 1227 C LEU A 78 -4.897 -14.037 -2.412 1.00 0.00 C ATOM 1228 O LEU A 78 -4.002 -14.744 -2.874 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.541 -11.579 -2.752 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.727 -11.118 -1.305 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.855 -11.938 -0.366 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.407 -9.636 -1.177 1.00 0.00 C ATOM 0 H LEU A 78 -6.987 -11.736 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.243 -12.974 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.488 -11.810 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.788 -10.750 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.769 -11.272 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.001 -11.595 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.130 -12.990 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.808 -11.817 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.544 -9.322 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.374 -9.460 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.074 -9.063 -1.821 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.497 -14.296 -1.255 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.127 -15.455 -0.449 1.00 0.00 C ATOM 1246 C ARG A 79 -5.505 -16.753 -1.156 1.00 0.00 C ATOM 1247 O ARG A 79 -4.892 -17.797 -0.927 1.00 0.00 O ATOM 1248 CB ARG A 79 -5.804 -15.391 0.922 1.00 0.00 C ATOM 1249 CG ARG A 79 -4.946 -15.940 2.050 1.00 0.00 C ATOM 1250 CD ARG A 79 -4.983 -17.460 2.092 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.347 -17.977 2.012 1.00 0.00 N ATOM 1252 CZ ARG A 79 -7.185 -18.019 3.045 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -6.805 -17.576 4.237 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -8.409 -18.506 2.886 1.00 0.00 N ATOM 0 H ARG A 79 -6.239 -13.722 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.046 -15.438 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.061 -14.355 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.739 -15.950 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.917 -15.604 1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.296 -15.540 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.395 -17.860 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.517 -17.809 3.013 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.676 -18.326 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.865 -17.200 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.452 -17.611 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.707 -18.848 1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.052 -18.538 3.677 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.518 -16.683 -2.014 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.977 -17.853 -2.752 1.00 0.00 C ATOM 1270 C LYS A 80 -5.893 -18.373 -3.695 1.00 0.00 C ATOM 1271 O LYS A 80 -5.960 -19.512 -4.161 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.240 -17.517 -3.546 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.268 -18.636 -3.557 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.060 -18.653 -4.855 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.570 -20.048 -5.178 1.00 0.00 C ATOM 1276 NZ LYS A 80 -11.706 -20.014 -6.140 1.00 0.00 N ATOM 0 H LYS A 80 -7.036 -15.828 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.205 -18.636 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.696 -16.621 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.961 -17.281 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.766 -19.594 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.950 -18.513 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.902 -17.965 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.431 -18.296 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.758 -20.644 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.887 -20.541 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.025 -20.984 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.490 -19.467 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.397 -19.567 -7.027 1.00 0.00 H new ATOM 1290 N SER A 81 -4.895 -17.537 -3.975 1.00 0.00 N ATOM 1291 CA SER A 81 -3.801 -17.918 -4.864 1.00 0.00 C ATOM 1292 C SER A 81 -3.192 -19.254 -4.444 1.00 0.00 C ATOM 1293 O SER A 81 -3.416 -20.279 -5.088 1.00 0.00 O ATOM 1294 CB SER A 81 -2.722 -16.835 -4.873 1.00 0.00 C ATOM 1295 OG SER A 81 -3.218 -15.625 -5.419 1.00 0.00 O ATOM 0 H SER A 81 -4.822 -16.592 -3.599 1.00 0.00 H new ATOM 0 HA SER A 81 -4.208 -18.026 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.369 -16.661 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.865 -17.176 -5.454 1.00 0.00 H new ATOM 0 HG SER A 81 -3.587 -15.069 -4.701 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.424 -19.234 -3.359 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.798 -20.450 -2.872 1.00 0.00 C ATOM 1303 C GLY A 82 -0.311 -20.496 -3.160 1.00 0.00 C ATOM 1304 O GLY A 82 0.456 -21.095 -2.403 1.00 0.00 O ATOM 0 H GLY A 82 -2.224 -18.399 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.959 -20.531 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.280 -21.312 -3.333 1.00 0.00 H new ATOM 1308 N LYS A 83 0.101 -19.865 -4.254 1.00 0.00 N ATOM 1309 CA LYS A 83 1.508 -19.840 -4.638 1.00 0.00 C ATOM 1310 C LYS A 83 1.739 -18.883 -5.803 1.00 0.00 C ATOM 1311 O LYS A 83 2.594 -19.124 -6.655 1.00 0.00 O ATOM 1312 CB LYS A 83 1.981 -21.244 -5.016 1.00 0.00 C ATOM 1313 CG LYS A 83 3.494 -21.397 -5.018 1.00 0.00 C ATOM 1314 CD LYS A 83 3.996 -21.997 -6.322 1.00 0.00 C ATOM 1315 CE LYS A 83 4.117 -23.510 -6.232 1.00 0.00 C ATOM 1316 NZ LYS A 83 3.252 -24.197 -7.231 1.00 0.00 N ATOM 0 H LYS A 83 -0.519 -19.364 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 83 2.084 -19.488 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.552 -21.963 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.598 -21.493 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.959 -20.423 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.797 -22.031 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.314 -21.733 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.967 -21.568 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.155 -23.801 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.843 -23.837 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.363 -25.227 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.258 -23.940 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.530 -23.905 -8.190 1.00 0.00 H new ATOM 1330 N ASN A 84 0.972 -17.798 -5.834 1.00 0.00 N ATOM 1331 CA ASN A 84 1.097 -16.808 -6.896 1.00 0.00 C ATOM 1332 C ASN A 84 0.164 -15.625 -6.649 1.00 0.00 C ATOM 1333 O ASN A 84 -0.793 -15.407 -7.392 1.00 0.00 O ATOM 1334 CB ASN A 84 0.799 -17.447 -8.256 1.00 0.00 C ATOM 1335 CG ASN A 84 2.012 -17.459 -9.166 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.612 -16.417 -9.433 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.380 -18.640 -9.649 1.00 0.00 N ATOM 0 H ASN A 84 0.259 -17.583 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 84 2.122 -16.438 -6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.450 -18.469 -8.106 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.011 -16.902 -8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.188 -18.709 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.854 -19.478 -9.402 1.00 0.00 H new ATOM 1344 N ALA A 85 0.453 -14.859 -5.602 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.353 -13.696 -5.260 1.00 0.00 C ATOM 1346 C ALA A 85 0.285 -12.423 -5.801 1.00 0.00 C ATOM 1347 O ALA A 85 1.251 -11.912 -5.234 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.533 -13.602 -3.752 1.00 0.00 C ATOM 0 H ALA A 85 1.241 -15.024 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.334 -13.809 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.138 -12.728 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.033 -14.500 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.442 -13.511 -3.274 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.253 -11.917 -6.906 1.00 0.00 N ATOM 1355 CA LYS A 86 0.277 -10.708 -7.524 1.00 0.00 C ATOM 1356 C LYS A 86 -0.467 -9.465 -7.041 1.00 0.00 C ATOM 1357 O LYS A 86 -1.690 -9.475 -6.898 1.00 0.00 O ATOM 1358 CB LYS A 86 0.201 -10.814 -9.052 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.164 -10.477 -9.631 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.400 -11.186 -10.955 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.833 -11.677 -11.076 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.940 -12.870 -11.960 1.00 0.00 N ATOM 0 H LYS A 86 -1.053 -12.324 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 86 1.321 -10.610 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.944 -10.147 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.469 -11.828 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.941 -10.761 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.243 -9.399 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.176 -10.507 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.716 -12.030 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.217 -11.924 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.459 -10.876 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.933 -13.173 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.598 -12.628 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.364 -13.643 -11.571 1.00 0.00 H new ATOM 1376 N ILE A 87 0.283 -8.396 -6.798 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.294 -7.140 -6.338 1.00 0.00 C ATOM 1378 C ILE A 87 0.217 -5.970 -7.172 1.00 0.00 C ATOM 1379 O ILE A 87 1.420 -5.826 -7.385 1.00 0.00 O ATOM 1380 CB ILE A 87 0.028 -6.880 -4.855 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.266 -8.129 -4.019 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.771 -5.692 -4.340 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.023 -7.953 -2.545 1.00 0.00 C ATOM 0 H ILE A 87 1.296 -8.375 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.375 -7.225 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 87 1.089 -6.647 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.314 -8.402 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.328 -8.959 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.533 -5.521 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.517 -4.804 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.836 -5.899 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.209 -8.877 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.077 -7.710 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.591 -7.144 -2.148 1.00 0.00 H new ATOM 1395 N THR A 88 -0.706 -5.139 -7.646 1.00 0.00 N ATOM 1396 CA THR A 88 -0.346 -3.984 -8.462 1.00 0.00 C ATOM 1397 C THR A 88 -0.303 -2.710 -7.624 1.00 0.00 C ATOM 1398 O THR A 88 -1.225 -2.422 -6.861 1.00 0.00 O ATOM 1399 CB THR A 88 -1.339 -3.819 -9.616 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.137 -4.981 -9.764 1.00 0.00 O ATOM 1401 CG2 THR A 88 -0.669 -3.551 -10.945 1.00 0.00 C ATOM 0 H THR A 88 -1.707 -5.243 -7.480 1.00 0.00 H new ATOM 0 HA THR A 88 0.650 -4.158 -8.870 1.00 0.00 H new ATOM 0 HB THR A 88 -1.948 -2.954 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.820 -5.000 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.428 -3.444 -11.720 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.085 -2.633 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.010 -4.383 -11.195 1.00 0.00 H new ATOM 1409 N ILE A 89 0.774 -1.948 -7.779 1.00 0.00 N ATOM 1410 CA ILE A 89 0.945 -0.698 -7.045 1.00 0.00 C ATOM 1411 C ILE A 89 1.482 0.399 -7.957 1.00 0.00 C ATOM 1412 O ILE A 89 1.918 0.127 -9.076 1.00 0.00 O ATOM 1413 CB ILE A 89 1.901 -0.869 -5.847 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.102 -1.733 -6.238 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.165 -1.481 -4.664 1.00 0.00 C ATOM 1416 CD1 ILE A 89 3.994 -1.091 -7.279 1.00 0.00 C ATOM 0 H ILE A 89 1.544 -2.174 -8.408 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.039 -0.413 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 89 2.267 0.115 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.692 -1.946 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.743 -2.689 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.853 -1.595 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.342 -0.829 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.772 -2.458 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.824 -1.759 -7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.418 -0.903 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.382 -0.148 -6.894 1.00 0.00 H new ATOM 1428 N ARG A 90 1.447 1.638 -7.478 1.00 0.00 N ATOM 1429 CA ARG A 90 1.931 2.768 -8.262 1.00 0.00 C ATOM 1430 C ARG A 90 2.771 3.715 -7.411 1.00 0.00 C ATOM 1431 O ARG A 90 2.477 3.937 -6.235 1.00 0.00 O ATOM 1432 CB ARG A 90 0.756 3.528 -8.882 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.398 3.757 -7.919 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.587 2.866 -8.243 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.836 3.622 -8.305 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.523 4.010 -7.233 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.085 3.716 -6.014 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.648 4.694 -7.378 1.00 0.00 N ATOM 0 H ARG A 90 1.090 1.884 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 90 2.563 2.374 -9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.110 4.492 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.392 2.974 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.065 3.563 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.705 4.802 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.417 2.367 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.672 2.086 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.203 3.867 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.219 3.191 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.615 4.016 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.988 4.924 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.174 4.991 -6.556 1.00 0.00 H new ATOM 1452 N ARG A 91 3.818 4.272 -8.014 1.00 0.00 N ATOM 1453 CA ARG A 91 4.705 5.197 -7.316 1.00 0.00 C ATOM 1454 C ARG A 91 5.269 6.240 -8.277 1.00 0.00 C ATOM 1455 O ARG A 91 5.673 5.913 -9.393 1.00 0.00 O ATOM 1456 CB ARG A 91 5.858 4.445 -6.638 1.00 0.00 C ATOM 1457 CG ARG A 91 5.568 2.976 -6.362 1.00 0.00 C ATOM 1458 CD ARG A 91 5.645 2.141 -7.631 1.00 0.00 C ATOM 1459 NE ARG A 91 6.622 1.060 -7.516 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.922 1.200 -7.773 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.409 2.373 -8.159 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.737 0.163 -7.641 1.00 0.00 N ATOM 0 H ARG A 91 4.073 4.098 -8.986 1.00 0.00 H new ATOM 0 HA ARG A 91 4.116 5.703 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.744 4.517 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.096 4.940 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.282 2.595 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.576 2.877 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.663 1.721 -7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.911 2.782 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 91 6.288 0.142 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.787 3.175 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.405 2.472 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.369 -0.740 -7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.732 0.268 -7.837 1.00 0.00 H new ATOM 1476 N LYS A 92 5.297 7.494 -7.838 1.00 0.00 N ATOM 1477 CA LYS A 92 5.817 8.581 -8.663 1.00 0.00 C ATOM 1478 C LYS A 92 6.805 9.441 -7.881 1.00 0.00 C ATOM 1479 O LYS A 92 7.842 9.845 -8.408 1.00 0.00 O ATOM 1480 CB LYS A 92 4.674 9.449 -9.191 1.00 0.00 C ATOM 1481 CG LYS A 92 3.616 9.773 -8.148 1.00 0.00 C ATOM 1482 CD LYS A 92 3.239 11.246 -8.173 1.00 0.00 C ATOM 1483 CE LYS A 92 2.922 11.763 -6.779 1.00 0.00 C ATOM 1484 NZ LYS A 92 3.287 13.199 -6.622 1.00 0.00 N ATOM 0 H LYS A 92 4.967 7.783 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 92 6.343 8.135 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.087 10.381 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.200 8.938 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.729 9.166 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.987 9.508 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.058 11.825 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.375 11.391 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.858 11.635 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.460 11.169 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.055 13.513 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.307 13.318 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.755 13.770 -7.309 1.00 0.00 H new ATOM 1498 N LYS A 93 6.478 9.721 -6.622 1.00 0.00 N ATOM 1499 CA LYS A 93 7.340 10.535 -5.773 1.00 0.00 C ATOM 1500 C LYS A 93 8.218 9.656 -4.887 1.00 0.00 C ATOM 1501 O LYS A 93 9.443 9.895 -4.848 1.00 0.00 O ATOM 1502 CB LYS A 93 6.497 11.472 -4.906 1.00 0.00 C ATOM 1503 CG LYS A 93 7.259 12.691 -4.410 1.00 0.00 C ATOM 1504 CD LYS A 93 6.375 13.595 -3.565 1.00 0.00 C ATOM 1505 CE LYS A 93 6.294 13.109 -2.128 1.00 0.00 C ATOM 1506 NZ LYS A 93 7.372 13.695 -1.282 1.00 0.00 N ATOM 1507 OXT LYS A 93 7.673 8.737 -4.241 1.00 0.00 O ATOM 0 H LYS A 93 5.624 9.396 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 93 7.987 11.130 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.631 11.803 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.118 10.917 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.119 12.370 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.646 13.251 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.768 14.612 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.374 13.632 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.322 13.371 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.367 12.022 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.282 13.339 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.300 13.424 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.287 14.732 -1.280 1.00 0.00 H new TER 1521 LYS A 93