USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 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 69 THR OG1 : rot -72:sc= -1.49 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 166:sc= -1.27 (180deg=-2.3) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 33 SER OG : rot -60:sc= 1.23 USER MOD Set 3.1: A 11 HIS : no HD1:sc= -0.137 X(o=-0.2,f=-0.31) USER MOD Set 3.2: A 15 CYS SG : rot -170:sc= -0.0611 USER MOD Single : A 1 ARG N :NH3+ -140:sc= -0.158 (180deg=-1.05) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.16) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 12 GLN : amide:sc= -0.0665 K(o=-0.067,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -170:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= -8.48! (180deg=-16.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -1.06 (180deg=-1.88) USER MOD Single : A 48 ASN : amide:sc= 0.2 K(o=0.2,f=-5.3!) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.24 (180deg=-1.03) USER MOD Single : A 50 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.3 K(o=-1.3,f=-2!) USER MOD Single : A 58 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -69:sc= -0.0447 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-2.2) USER MOD Single : A 70 MET CE :methyl -153:sc= -0.361 (180deg=-1.79) USER MOD Single : A 76 HIS : no HD1:sc= -2.55! C(o=-2.6!,f=-3.3!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 150:sc= -0.907 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 93:sc= -0.0557 USER MOD Single : A 98 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.668 2.790 12.402 1.00 0.00 N ATOM 2 CA ARG A 1 11.212 2.856 12.104 1.00 0.00 C ATOM 3 C ARG A 1 10.944 3.709 10.863 1.00 0.00 C ATOM 4 O ARG A 1 10.826 3.184 9.755 1.00 0.00 O ATOM 5 CB ARG A 1 10.491 3.434 13.328 1.00 0.00 C ATOM 6 CG ARG A 1 10.771 2.677 14.615 1.00 0.00 C ATOM 7 CD ARG A 1 10.301 3.456 15.833 1.00 0.00 C ATOM 8 NE ARG A 1 10.725 4.853 15.788 1.00 0.00 N ATOM 9 CZ ARG A 1 11.983 5.252 15.963 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.943 4.364 16.191 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.283 6.543 15.908 1.00 0.00 N ATOM 0 H1 ARG A 1 12.917 1.826 12.703 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.209 3.037 11.548 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.897 3.461 13.163 1.00 0.00 H new ATOM 0 HA ARG A 1 10.837 1.854 11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.789 4.475 13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.417 3.431 13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.270 1.709 14.585 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.840 2.481 14.698 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.214 3.409 15.895 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.693 2.987 16.736 1.00 0.00 H new ATOM 0 HE ARG A 1 10.016 5.565 15.612 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.719 3.370 16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.905 4.676 16.324 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.550 7.230 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.247 6.849 16.042 1.00 0.00 H new ATOM 27 N GLU A 2 10.856 5.025 11.051 1.00 0.00 N ATOM 28 CA GLU A 2 10.612 5.950 9.949 1.00 0.00 C ATOM 29 C GLU A 2 9.482 5.470 9.038 1.00 0.00 C ATOM 30 O GLU A 2 9.443 5.816 7.857 1.00 0.00 O ATOM 31 CB GLU A 2 11.892 6.144 9.135 1.00 0.00 C ATOM 32 CG GLU A 2 13.082 6.586 9.972 1.00 0.00 C ATOM 33 CD GLU A 2 14.376 5.921 9.544 1.00 0.00 C ATOM 34 OE1 GLU A 2 14.372 4.688 9.345 1.00 0.00 O ATOM 35 OE2 GLU A 2 15.393 6.633 9.408 1.00 0.00 O ATOM 0 H GLU A 2 10.951 5.475 11.962 1.00 0.00 H new ATOM 0 HA GLU A 2 10.305 6.902 10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.139 5.209 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.710 6.885 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.192 7.668 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.889 6.357 11.020 1.00 0.00 H new ATOM 42 N TRP A 3 8.558 4.686 9.588 1.00 0.00 N ATOM 43 CA TRP A 3 7.431 4.187 8.805 1.00 0.00 C ATOM 44 C TRP A 3 6.210 5.082 8.992 1.00 0.00 C ATOM 45 O TRP A 3 5.380 5.211 8.093 1.00 0.00 O ATOM 46 CB TRP A 3 7.085 2.737 9.174 1.00 0.00 C ATOM 47 CG TRP A 3 7.281 2.400 10.623 1.00 0.00 C ATOM 48 CD1 TRP A 3 6.760 3.058 11.700 1.00 0.00 C ATOM 49 CD2 TRP A 3 8.046 1.310 11.149 1.00 0.00 C ATOM 50 NE1 TRP A 3 7.160 2.446 12.864 1.00 0.00 N ATOM 51 CE2 TRP A 3 7.949 1.370 12.551 1.00 0.00 C ATOM 52 CE3 TRP A 3 8.804 0.289 10.568 1.00 0.00 C ATOM 53 CZ2 TRP A 3 8.582 0.448 13.381 1.00 0.00 C ATOM 54 CZ3 TRP A 3 9.432 -0.625 11.393 1.00 0.00 C ATOM 55 CH2 TRP A 3 9.317 -0.540 12.786 1.00 0.00 C ATOM 0 H TRP A 3 8.566 4.385 10.563 1.00 0.00 H new ATOM 0 HA TRP A 3 7.727 4.205 7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.046 2.546 8.907 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.698 2.066 8.572 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.127 3.931 11.645 1.00 0.00 H new ATOM 0 HE1 TRP A 3 6.910 2.744 13.807 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.897 0.216 9.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 8.496 0.511 14.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 10.021 -1.418 10.956 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.819 -1.270 13.403 1.00 0.00 H new ATOM 66 N TYR A 4 6.114 5.706 10.162 1.00 0.00 N ATOM 67 CA TYR A 4 5.003 6.601 10.466 1.00 0.00 C ATOM 68 C TYR A 4 5.517 7.963 10.922 1.00 0.00 C ATOM 69 O TYR A 4 6.654 8.086 11.378 1.00 0.00 O ATOM 70 CB TYR A 4 4.108 5.994 11.546 1.00 0.00 C ATOM 71 CG TYR A 4 2.754 5.550 11.037 1.00 0.00 C ATOM 72 CD1 TYR A 4 2.633 4.854 9.842 1.00 0.00 C ATOM 73 CD2 TYR A 4 1.598 5.828 11.755 1.00 0.00 C ATOM 74 CE1 TYR A 4 1.397 4.447 9.375 1.00 0.00 C ATOM 75 CE2 TYR A 4 0.359 5.425 11.296 1.00 0.00 C ATOM 76 CZ TYR A 4 0.263 4.735 10.106 1.00 0.00 C ATOM 77 OH TYR A 4 -0.969 4.332 9.645 1.00 0.00 O ATOM 0 H TYR A 4 6.794 5.608 10.916 1.00 0.00 H new ATOM 0 HA TYR A 4 4.418 6.736 9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.618 5.139 11.989 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.965 6.726 12.341 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.519 4.627 9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.669 6.368 12.688 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.320 3.907 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.530 5.649 11.866 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.663 4.613 10.278 1.00 0.00 H new ATOM 87 N TYR A 5 4.669 8.982 10.799 1.00 0.00 N ATOM 88 CA TYR A 5 5.025 10.343 11.199 1.00 0.00 C ATOM 89 C TYR A 5 3.988 11.336 10.683 1.00 0.00 C ATOM 90 O TYR A 5 3.705 12.349 11.323 1.00 0.00 O ATOM 91 CB TYR A 5 6.418 10.716 10.670 1.00 0.00 C ATOM 92 CG TYR A 5 6.750 12.189 10.786 1.00 0.00 C ATOM 93 CD1 TYR A 5 6.700 12.839 12.013 1.00 0.00 C ATOM 94 CD2 TYR A 5 7.114 12.927 9.667 1.00 0.00 C ATOM 95 CE1 TYR A 5 7.003 14.184 12.121 1.00 0.00 C ATOM 96 CE2 TYR A 5 7.419 14.271 9.766 1.00 0.00 C ATOM 97 CZ TYR A 5 7.362 14.895 10.995 1.00 0.00 C ATOM 98 OH TYR A 5 7.666 16.234 11.098 1.00 0.00 O ATOM 0 H TYR A 5 3.725 8.890 10.423 1.00 0.00 H new ATOM 0 HA TYR A 5 5.043 10.385 12.288 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.167 10.142 11.215 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.489 10.420 9.623 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.420 12.285 12.897 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.159 12.442 8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.959 14.675 13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.701 14.830 8.886 1.00 0.00 H new ATOM 0 HH TYR A 5 7.900 16.585 10.213 1.00 0.00 H new ATOM 108 N GLY A 6 3.433 11.036 9.515 1.00 0.00 N ATOM 109 CA GLY A 6 2.439 11.903 8.911 1.00 0.00 C ATOM 110 C GLY A 6 2.751 12.207 7.461 1.00 0.00 C ATOM 111 O GLY A 6 1.919 12.751 6.735 1.00 0.00 O ATOM 0 H GLY A 6 3.656 10.202 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.459 11.431 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.384 12.836 9.472 1.00 0.00 H new ATOM 115 N ASN A 7 3.955 11.843 7.043 1.00 0.00 N ATOM 116 CA ASN A 7 4.397 12.059 5.672 1.00 0.00 C ATOM 117 C ASN A 7 5.526 11.096 5.315 1.00 0.00 C ATOM 118 O ASN A 7 6.654 11.244 5.787 1.00 0.00 O ATOM 119 CB ASN A 7 4.864 13.505 5.484 1.00 0.00 C ATOM 120 CG ASN A 7 3.745 14.422 5.030 1.00 0.00 C ATOM 121 OD1 ASN A 7 3.506 15.471 5.628 1.00 0.00 O ATOM 122 ND2 ASN A 7 3.051 14.031 3.967 1.00 0.00 N ATOM 0 H ASN A 7 4.649 11.393 7.640 1.00 0.00 H new ATOM 0 HA ASN A 7 3.554 11.871 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.275 13.876 6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.670 13.531 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.286 14.608 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.283 13.154 3.501 1.00 0.00 H new ATOM 129 N VAL A 8 5.215 10.110 4.481 1.00 0.00 N ATOM 130 CA VAL A 8 6.198 9.120 4.060 1.00 0.00 C ATOM 131 C VAL A 8 5.908 8.666 2.639 1.00 0.00 C ATOM 132 O VAL A 8 5.018 9.206 1.982 1.00 0.00 O ATOM 133 CB VAL A 8 6.200 7.884 4.985 1.00 0.00 C ATOM 134 CG1 VAL A 8 7.615 7.352 5.158 1.00 0.00 C ATOM 135 CG2 VAL A 8 5.569 8.212 6.333 1.00 0.00 C ATOM 0 H VAL A 8 4.286 9.975 4.082 1.00 0.00 H new ATOM 0 HA VAL A 8 7.177 9.596 4.113 1.00 0.00 H new ATOM 0 HB VAL A 8 5.598 7.105 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.599 6.481 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.018 7.068 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.243 8.126 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.582 7.325 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.134 9.010 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.539 8.536 6.183 1.00 0.00 H new ATOM 145 N THR A 9 6.641 7.663 2.166 1.00 0.00 N ATOM 146 CA THR A 9 6.419 7.153 0.827 1.00 0.00 C ATOM 147 C THR A 9 6.576 8.273 -0.202 1.00 0.00 C ATOM 148 O THR A 9 6.925 9.397 0.159 1.00 0.00 O ATOM 149 CB THR A 9 5.032 6.528 0.766 1.00 0.00 C ATOM 150 OG1 THR A 9 4.697 5.942 2.012 1.00 0.00 O ATOM 151 CG2 THR A 9 4.884 5.458 -0.290 1.00 0.00 C ATOM 0 H THR A 9 7.384 7.195 2.686 1.00 0.00 H new ATOM 0 HA THR A 9 7.161 6.390 0.589 1.00 0.00 H new ATOM 0 HB THR A 9 4.365 7.351 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.802 5.546 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.868 5.064 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.086 5.885 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.591 4.652 -0.093 1.00 0.00 H new ATOM 159 N ARG A 10 6.357 7.960 -1.482 1.00 0.00 N ATOM 160 CA ARG A 10 6.512 8.933 -2.560 1.00 0.00 C ATOM 161 C ARG A 10 7.996 9.197 -2.776 1.00 0.00 C ATOM 162 O ARG A 10 8.528 8.989 -3.867 1.00 0.00 O ATOM 163 CB ARG A 10 5.756 10.222 -2.229 1.00 0.00 C ATOM 164 CG ARG A 10 6.208 11.443 -3.022 1.00 0.00 C ATOM 165 CD ARG A 10 6.893 12.470 -2.132 1.00 0.00 C ATOM 166 NE ARG A 10 5.928 13.343 -1.466 1.00 0.00 N ATOM 167 CZ ARG A 10 6.206 14.576 -1.043 1.00 0.00 C ATOM 168 NH1 ARG A 10 7.421 15.086 -1.205 1.00 0.00 N ATOM 169 NH2 ARG A 10 5.265 15.300 -0.453 1.00 0.00 N ATOM 0 H ARG A 10 6.070 7.033 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 10 6.087 8.537 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.693 10.061 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.871 10.432 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.892 11.131 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.347 11.900 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.496 11.957 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.575 13.073 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 10 4.984 12.987 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.150 14.533 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.625 16.030 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.330 14.913 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.476 16.244 -0.129 1.00 0.00 H new ATOM 183 N HIS A 11 8.665 9.608 -1.708 1.00 0.00 N ATOM 184 CA HIS A 11 10.097 9.849 -1.743 1.00 0.00 C ATOM 185 C HIS A 11 10.804 8.613 -1.207 1.00 0.00 C ATOM 186 O HIS A 11 11.855 8.207 -1.705 1.00 0.00 O ATOM 187 CB HIS A 11 10.459 11.078 -0.904 1.00 0.00 C ATOM 188 CG HIS A 11 11.935 11.307 -0.775 1.00 0.00 C ATOM 189 ND1 HIS A 11 12.843 10.928 -1.742 1.00 0.00 N ATOM 190 CD2 HIS A 11 12.662 11.877 0.216 1.00 0.00 C ATOM 191 CE1 HIS A 11 14.062 11.254 -1.351 1.00 0.00 C ATOM 192 NE2 HIS A 11 13.979 11.832 -0.167 1.00 0.00 N ATOM 0 H HIS A 11 8.233 9.782 -0.801 1.00 0.00 H new ATOM 0 HA HIS A 11 10.413 10.044 -2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.001 11.960 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 11 10.029 10.967 0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 11 12.277 12.290 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.972 11.078 -1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 11 14.766 12.188 0.375 1.00 0.00 H new ATOM 201 N GLN A 12 10.192 8.009 -0.190 1.00 0.00 N ATOM 202 CA GLN A 12 10.723 6.805 0.424 1.00 0.00 C ATOM 203 C GLN A 12 10.423 5.584 -0.440 1.00 0.00 C ATOM 204 O GLN A 12 11.289 4.737 -0.641 1.00 0.00 O ATOM 205 CB GLN A 12 10.136 6.618 1.824 1.00 0.00 C ATOM 206 CG GLN A 12 10.418 7.785 2.756 1.00 0.00 C ATOM 207 CD GLN A 12 11.558 7.503 3.714 1.00 0.00 C ATOM 208 OE1 GLN A 12 12.374 6.611 3.481 1.00 0.00 O ATOM 209 NE2 GLN A 12 11.622 8.265 4.800 1.00 0.00 N ATOM 0 H GLN A 12 9.321 8.341 0.225 1.00 0.00 H new ATOM 0 HA GLN A 12 11.804 6.912 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.058 6.480 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.542 5.706 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.656 8.669 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.518 8.016 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.925 8.993 4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.369 8.122 5.480 1.00 0.00 H new ATOM 218 N ALA A 13 9.191 5.491 -0.952 1.00 0.00 N ATOM 219 CA ALA A 13 8.805 4.358 -1.794 1.00 0.00 C ATOM 220 C ALA A 13 9.857 4.070 -2.859 1.00 0.00 C ATOM 221 O ALA A 13 10.087 2.920 -3.219 1.00 0.00 O ATOM 222 CB ALA A 13 7.457 4.608 -2.451 1.00 0.00 C ATOM 0 H ALA A 13 8.453 6.179 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 13 8.727 3.484 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.191 3.753 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.698 4.748 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.515 5.503 -3.071 1.00 0.00 H new ATOM 228 N GLU A 14 10.506 5.117 -3.346 1.00 0.00 N ATOM 229 CA GLU A 14 11.544 4.953 -4.357 1.00 0.00 C ATOM 230 C GLU A 14 12.859 4.663 -3.677 1.00 0.00 C ATOM 231 O GLU A 14 13.540 3.695 -3.992 1.00 0.00 O ATOM 232 CB GLU A 14 11.698 6.190 -5.235 1.00 0.00 C ATOM 233 CG GLU A 14 10.457 7.054 -5.311 1.00 0.00 C ATOM 234 CD GLU A 14 9.552 6.687 -6.472 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.072 5.534 -6.509 1.00 0.00 O ATOM 236 OE2 GLU A 14 9.320 7.553 -7.341 1.00 0.00 O ATOM 0 H GLU A 14 10.336 6.082 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 14 11.249 4.124 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.523 6.792 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.971 5.875 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.899 6.962 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.753 8.099 -5.404 1.00 0.00 H new ATOM 243 N CYS A 15 13.199 5.516 -2.727 1.00 0.00 N ATOM 244 CA CYS A 15 14.435 5.358 -1.974 1.00 0.00 C ATOM 245 C CYS A 15 14.436 4.050 -1.176 1.00 0.00 C ATOM 246 O CYS A 15 15.453 3.681 -0.588 1.00 0.00 O ATOM 247 CB CYS A 15 14.640 6.546 -1.031 1.00 0.00 C ATOM 248 SG CYS A 15 15.195 8.055 -1.857 1.00 0.00 S ATOM 0 H CYS A 15 12.639 6.325 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 15 15.258 5.322 -2.688 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.703 6.751 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.371 6.271 -0.270 1.00 0.00 H new ATOM 0 HG CYS A 15 15.540 8.936 -0.965 1.00 0.00 H new ATOM 254 N ALA A 16 13.295 3.355 -1.146 1.00 0.00 N ATOM 255 CA ALA A 16 13.190 2.102 -0.406 1.00 0.00 C ATOM 256 C ALA A 16 13.279 0.889 -1.321 1.00 0.00 C ATOM 257 O ALA A 16 13.837 -0.141 -0.943 1.00 0.00 O ATOM 258 CB ALA A 16 11.884 2.067 0.360 1.00 0.00 C ATOM 0 H ALA A 16 12.439 3.639 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 16 14.031 2.058 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.810 1.129 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.850 2.902 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.051 2.144 -0.338 1.00 0.00 H new ATOM 264 N LEU A 17 12.746 1.014 -2.530 1.00 0.00 N ATOM 265 CA LEU A 17 12.795 -0.082 -3.489 1.00 0.00 C ATOM 266 C LEU A 17 13.476 0.369 -4.774 1.00 0.00 C ATOM 267 O LEU A 17 13.403 -0.310 -5.799 1.00 0.00 O ATOM 268 CB LEU A 17 11.404 -0.623 -3.815 1.00 0.00 C ATOM 269 CG LEU A 17 10.263 0.071 -3.111 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.917 -0.422 -3.616 1.00 0.00 C ATOM 271 CD2 LEU A 17 10.392 -0.139 -1.617 1.00 0.00 C ATOM 0 H LEU A 17 12.279 1.855 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 17 13.370 -0.885 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.245 -0.548 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.375 -1.683 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 17 10.315 1.138 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.118 0.098 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.835 -0.224 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.832 -1.494 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.569 0.361 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.361 -1.206 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.339 0.276 -1.272 1.00 0.00 H new ATOM 283 N ASN A 18 14.131 1.529 -4.709 1.00 0.00 N ATOM 284 CA ASN A 18 14.829 2.101 -5.860 1.00 0.00 C ATOM 285 C ASN A 18 15.562 1.017 -6.647 1.00 0.00 C ATOM 286 O ASN A 18 15.745 1.130 -7.859 1.00 0.00 O ATOM 287 CB ASN A 18 15.828 3.166 -5.400 1.00 0.00 C ATOM 288 CG ASN A 18 15.720 4.444 -6.209 1.00 0.00 C ATOM 289 OD1 ASN A 18 15.154 4.453 -7.303 1.00 0.00 O ATOM 290 ND2 ASN A 18 16.263 5.531 -5.675 1.00 0.00 N ATOM 0 H ASN A 18 14.192 2.095 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 18 14.085 2.561 -6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.658 3.390 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.841 2.771 -5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.221 6.420 -6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.722 5.478 -4.766 1.00 0.00 H new ATOM 297 N GLU A 19 15.976 -0.033 -5.942 1.00 0.00 N ATOM 298 CA GLU A 19 16.689 -1.142 -6.569 1.00 0.00 C ATOM 299 C GLU A 19 15.897 -1.716 -7.743 1.00 0.00 C ATOM 300 O GLU A 19 16.377 -1.713 -8.875 1.00 0.00 O ATOM 301 CB GLU A 19 16.966 -2.245 -5.546 1.00 0.00 C ATOM 302 CG GLU A 19 17.688 -3.448 -6.132 1.00 0.00 C ATOM 303 CD GLU A 19 17.967 -4.524 -5.101 1.00 0.00 C ATOM 304 OE1 GLU A 19 18.421 -4.179 -3.990 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.731 -5.713 -5.405 1.00 0.00 O ATOM 0 H GLU A 19 15.830 -0.139 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 19 17.635 -0.756 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.563 -1.833 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.021 -2.574 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.087 -3.870 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.629 -3.121 -6.574 1.00 0.00 H new ATOM 312 N ARG A 20 14.686 -2.206 -7.444 1.00 0.00 N ATOM 313 CA ARG A 20 13.774 -2.806 -8.435 1.00 0.00 C ATOM 314 C ARG A 20 13.493 -4.264 -8.095 1.00 0.00 C ATOM 315 O ARG A 20 14.201 -5.165 -8.544 1.00 0.00 O ATOM 316 CB ARG A 20 14.309 -2.722 -9.872 1.00 0.00 C ATOM 317 CG ARG A 20 14.170 -1.343 -10.495 1.00 0.00 C ATOM 318 CD ARG A 20 12.727 -1.059 -10.884 1.00 0.00 C ATOM 319 NE ARG A 20 12.630 -0.244 -12.093 1.00 0.00 N ATOM 320 CZ ARG A 20 12.718 -0.733 -13.328 1.00 0.00 C ATOM 321 NH1 ARG A 20 12.932 -2.029 -13.524 1.00 0.00 N ATOM 322 NH2 ARG A 20 12.594 0.076 -14.371 1.00 0.00 N ATOM 0 H ARG A 20 14.305 -2.198 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 20 12.854 -2.223 -8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.361 -3.009 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.779 -3.446 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.515 -0.586 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.808 -1.273 -11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.203 -2.002 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.225 -0.548 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 20 12.486 0.760 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.030 -2.656 -12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.998 -2.397 -14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.431 1.073 -14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.661 -0.298 -15.317 1.00 0.00 H new ATOM 336 N GLY A 21 12.449 -4.488 -7.308 1.00 0.00 N ATOM 337 CA GLY A 21 12.081 -5.846 -6.927 1.00 0.00 C ATOM 338 C GLY A 21 12.963 -6.425 -5.830 1.00 0.00 C ATOM 339 O GLY A 21 14.001 -7.025 -6.112 1.00 0.00 O ATOM 0 H GLY A 21 11.849 -3.758 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.044 -5.853 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.136 -6.490 -7.805 1.00 0.00 H new ATOM 343 N VAL A 22 12.541 -6.257 -4.576 1.00 0.00 N ATOM 344 CA VAL A 22 13.280 -6.775 -3.435 1.00 0.00 C ATOM 345 C VAL A 22 12.324 -7.167 -2.311 1.00 0.00 C ATOM 346 O VAL A 22 11.563 -6.334 -1.821 1.00 0.00 O ATOM 347 CB VAL A 22 14.292 -5.741 -2.903 1.00 0.00 C ATOM 348 CG1 VAL A 22 15.468 -5.607 -3.857 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.623 -4.391 -2.676 1.00 0.00 C ATOM 0 H VAL A 22 11.684 -5.762 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 22 13.826 -7.655 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 22 14.667 -6.095 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.172 -4.873 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.967 -6.571 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.109 -5.281 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.358 -3.679 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.212 -4.026 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.820 -4.501 -1.948 1.00 0.00 H new ATOM 359 N GLU A 23 12.369 -8.436 -1.904 1.00 0.00 N ATOM 360 CA GLU A 23 11.505 -8.942 -0.832 1.00 0.00 C ATOM 361 C GLU A 23 10.088 -8.345 -0.922 1.00 0.00 C ATOM 362 O GLU A 23 9.522 -8.249 -2.011 1.00 0.00 O ATOM 363 CB GLU A 23 12.137 -8.646 0.531 1.00 0.00 C ATOM 364 CG GLU A 23 13.581 -9.104 0.647 1.00 0.00 C ATOM 365 CD GLU A 23 14.020 -9.273 2.088 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.677 -8.404 2.917 1.00 0.00 O ATOM 367 OE2 GLU A 23 14.705 -10.273 2.388 1.00 0.00 O ATOM 0 H GLU A 23 12.996 -9.136 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 23 11.410 -10.021 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.089 -7.573 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.547 -9.132 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.703 -10.050 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.230 -8.379 0.155 1.00 0.00 H new ATOM 374 N GLY A 24 9.519 -7.946 0.221 1.00 0.00 N ATOM 375 CA GLY A 24 8.183 -7.372 0.227 1.00 0.00 C ATOM 376 C GLY A 24 8.126 -6.041 0.953 1.00 0.00 C ATOM 377 O GLY A 24 8.211 -5.993 2.180 1.00 0.00 O ATOM 0 H GLY A 24 9.961 -8.011 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.845 -7.237 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.493 -8.070 0.701 1.00 0.00 H new ATOM 381 N ASP A 25 7.985 -4.956 0.194 1.00 0.00 N ATOM 382 CA ASP A 25 7.921 -3.619 0.776 1.00 0.00 C ATOM 383 C ASP A 25 6.707 -2.848 0.260 1.00 0.00 C ATOM 384 O ASP A 25 6.598 -2.576 -0.938 1.00 0.00 O ATOM 385 CB ASP A 25 9.202 -2.847 0.454 1.00 0.00 C ATOM 386 CG ASP A 25 9.426 -1.679 1.395 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.456 -0.940 1.665 1.00 0.00 O ATOM 388 OD2 ASP A 25 10.572 -1.505 1.861 1.00 0.00 O ATOM 0 H ASP A 25 7.913 -4.977 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 25 7.822 -3.725 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.055 -3.524 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.154 -2.480 -0.571 1.00 0.00 H new ATOM 393 N PHE A 26 5.805 -2.491 1.177 1.00 0.00 N ATOM 394 CA PHE A 26 4.593 -1.741 0.836 1.00 0.00 C ATOM 395 C PHE A 26 4.426 -0.566 1.778 1.00 0.00 C ATOM 396 O PHE A 26 4.517 -0.716 2.995 1.00 0.00 O ATOM 397 CB PHE A 26 3.345 -2.628 0.938 1.00 0.00 C ATOM 398 CG PHE A 26 2.381 -2.510 -0.223 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.336 -1.364 -0.993 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.503 -3.545 -0.529 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.441 -1.245 -2.045 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.604 -3.431 -1.576 1.00 0.00 C ATOM 403 CZ PHE A 26 0.574 -2.279 -2.335 1.00 0.00 C ATOM 0 H PHE A 26 5.892 -2.711 2.169 1.00 0.00 H new ATOM 0 HA PHE A 26 4.701 -1.391 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.662 -3.667 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.815 -2.380 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.008 -0.548 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.523 -4.451 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.422 -0.343 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.073 -4.243 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.125 -2.187 -3.153 1.00 0.00 H new ATOM 413 N LEU A 27 4.167 0.596 1.216 1.00 0.00 N ATOM 414 CA LEU A 27 3.975 1.790 2.041 1.00 0.00 C ATOM 415 C LEU A 27 2.857 2.682 1.516 1.00 0.00 C ATOM 416 O LEU A 27 2.803 2.999 0.328 1.00 0.00 O ATOM 417 CB LEU A 27 5.270 2.597 2.171 1.00 0.00 C ATOM 418 CG LEU A 27 6.183 2.601 0.944 1.00 0.00 C ATOM 419 CD1 LEU A 27 7.026 3.869 0.923 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.072 1.366 0.933 1.00 0.00 C ATOM 0 H LEU A 27 4.084 0.748 0.211 1.00 0.00 H new ATOM 0 HA LEU A 27 3.683 1.434 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.010 3.628 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.834 2.207 3.018 1.00 0.00 H new ATOM 0 HG LEU A 27 5.563 2.580 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.672 3.862 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.372 4.740 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.638 3.914 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.714 1.388 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.689 1.354 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.451 0.471 0.907 1.00 0.00 H new ATOM 432 N ILE A 28 1.974 3.082 2.433 1.00 0.00 N ATOM 433 CA ILE A 28 0.839 3.947 2.116 1.00 0.00 C ATOM 434 C ILE A 28 1.111 5.355 2.625 1.00 0.00 C ATOM 435 O ILE A 28 1.734 5.534 3.671 1.00 0.00 O ATOM 436 CB ILE A 28 -0.475 3.402 2.729 1.00 0.00 C ATOM 437 CG1 ILE A 28 -0.407 1.886 2.824 1.00 0.00 C ATOM 438 CG2 ILE A 28 -1.692 3.802 1.900 1.00 0.00 C ATOM 439 CD1 ILE A 28 -1.674 1.202 2.373 1.00 0.00 C ATOM 0 H ILE A 28 2.027 2.815 3.416 1.00 0.00 H new ATOM 0 HA ILE A 28 0.717 3.968 1.033 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.583 3.836 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.426 1.528 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.197 1.603 3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.594 3.401 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.760 4.889 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.592 3.402 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.558 0.122 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.507 1.532 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.874 1.457 1.332 1.00 0.00 H new ATOM 451 N ARG A 29 0.690 6.349 1.860 1.00 0.00 N ATOM 452 CA ARG A 29 0.943 7.738 2.216 1.00 0.00 C ATOM 453 C ARG A 29 -0.325 8.581 2.215 1.00 0.00 C ATOM 454 O ARG A 29 -1.304 8.259 1.542 1.00 0.00 O ATOM 455 CB ARG A 29 1.952 8.335 1.232 1.00 0.00 C ATOM 456 CG ARG A 29 2.182 7.470 -0.002 1.00 0.00 C ATOM 457 CD ARG A 29 3.126 8.150 -0.989 1.00 0.00 C ATOM 458 NE ARG A 29 2.417 8.702 -2.142 1.00 0.00 N ATOM 459 CZ ARG A 29 1.922 9.938 -2.192 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.057 10.762 -1.159 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.288 10.352 -3.281 1.00 0.00 N ATOM 0 H ARG A 29 0.173 6.222 0.990 1.00 0.00 H new ATOM 0 HA ARG A 29 1.340 7.750 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.602 9.318 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.903 8.484 1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.598 6.508 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.228 7.267 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.666 8.949 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.869 7.431 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 29 2.294 8.104 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.543 10.450 -0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.675 11.706 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.180 9.725 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.908 11.298 -3.321 1.00 0.00 H new ATOM 475 N ASP A 30 -0.280 9.679 2.963 1.00 0.00 N ATOM 476 CA ASP A 30 -1.404 10.601 3.047 1.00 0.00 C ATOM 477 C ASP A 30 -1.227 11.735 2.044 1.00 0.00 C ATOM 478 O ASP A 30 -0.216 12.438 2.061 1.00 0.00 O ATOM 479 CB ASP A 30 -1.522 11.173 4.461 1.00 0.00 C ATOM 480 CG ASP A 30 -2.736 12.068 4.623 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.699 11.909 3.844 1.00 0.00 O ATOM 482 OD2 ASP A 30 -2.723 12.928 5.529 1.00 0.00 O ATOM 0 H ASP A 30 0.528 9.952 3.522 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.318 10.055 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.580 10.354 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.622 11.740 4.697 1.00 0.00 H new ATOM 487 N SER A 31 -2.207 11.905 1.166 1.00 0.00 N ATOM 488 CA SER A 31 -2.145 12.951 0.154 1.00 0.00 C ATOM 489 C SER A 31 -2.808 14.230 0.654 1.00 0.00 C ATOM 490 O SER A 31 -4.021 14.403 0.533 1.00 0.00 O ATOM 491 CB SER A 31 -2.817 12.478 -1.136 1.00 0.00 C ATOM 492 OG SER A 31 -3.003 13.553 -2.040 1.00 0.00 O ATOM 0 H SER A 31 -3.052 11.334 1.134 1.00 0.00 H new ATOM 0 HA SER A 31 -1.096 13.167 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.207 11.706 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.780 12.025 -0.902 1.00 0.00 H new ATOM 0 HG SER A 31 -3.433 13.223 -2.856 1.00 0.00 H new ATOM 498 N GLU A 32 -1.999 15.123 1.221 1.00 0.00 N ATOM 499 CA GLU A 32 -2.498 16.391 1.747 1.00 0.00 C ATOM 500 C GLU A 32 -3.380 17.101 0.723 1.00 0.00 C ATOM 501 O GLU A 32 -4.305 17.828 1.085 1.00 0.00 O ATOM 502 CB GLU A 32 -1.330 17.295 2.146 1.00 0.00 C ATOM 503 CG GLU A 32 -1.763 18.595 2.804 1.00 0.00 C ATOM 504 CD GLU A 32 -2.523 18.368 4.096 1.00 0.00 C ATOM 505 OE1 GLU A 32 -1.963 17.728 5.011 1.00 0.00 O ATOM 506 OE2 GLU A 32 -3.680 18.831 4.194 1.00 0.00 O ATOM 0 H GLU A 32 -0.993 14.991 1.328 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.102 16.176 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.678 16.751 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.740 17.526 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.884 19.206 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.390 19.157 2.112 1.00 0.00 H new ATOM 513 N SER A 33 -3.089 16.880 -0.555 1.00 0.00 N ATOM 514 CA SER A 33 -3.859 17.494 -1.631 1.00 0.00 C ATOM 515 C SER A 33 -5.333 17.117 -1.525 1.00 0.00 C ATOM 516 O SER A 33 -6.211 17.880 -1.926 1.00 0.00 O ATOM 517 CB SER A 33 -3.306 17.061 -2.991 1.00 0.00 C ATOM 518 OG SER A 33 -3.619 15.706 -3.260 1.00 0.00 O ATOM 0 H SER A 33 -2.326 16.281 -0.871 1.00 0.00 H new ATOM 0 HA SER A 33 -3.771 18.576 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.720 17.696 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.225 17.198 -3.008 1.00 0.00 H new ATOM 0 HG SER A 33 -3.224 15.135 -2.568 1.00 0.00 H new ATOM 524 N SER A 34 -5.596 15.934 -0.979 1.00 0.00 N ATOM 525 CA SER A 34 -6.961 15.451 -0.813 1.00 0.00 C ATOM 526 C SER A 34 -7.125 14.757 0.539 1.00 0.00 C ATOM 527 O SER A 34 -6.440 13.774 0.824 1.00 0.00 O ATOM 528 CB SER A 34 -7.323 14.486 -1.944 1.00 0.00 C ATOM 529 OG SER A 34 -7.915 15.174 -3.033 1.00 0.00 O ATOM 0 H SER A 34 -4.879 15.291 -0.643 1.00 0.00 H new ATOM 0 HA SER A 34 -7.635 16.307 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.427 13.966 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.011 13.727 -1.572 1.00 0.00 H new ATOM 0 HG SER A 34 -8.135 14.535 -3.743 1.00 0.00 H new ATOM 535 N PRO A 35 -8.034 15.257 1.398 1.00 0.00 N ATOM 536 CA PRO A 35 -8.271 14.672 2.723 1.00 0.00 C ATOM 537 C PRO A 35 -8.767 13.232 2.645 1.00 0.00 C ATOM 538 O PRO A 35 -8.713 12.494 3.630 1.00 0.00 O ATOM 539 CB PRO A 35 -9.347 15.574 3.337 1.00 0.00 C ATOM 540 CG PRO A 35 -9.979 16.270 2.181 1.00 0.00 C ATOM 541 CD PRO A 35 -8.897 16.425 1.151 1.00 0.00 C ATOM 0 HA PRO A 35 -7.353 14.626 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.080 14.990 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.911 16.288 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.814 15.691 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.376 17.240 2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.300 16.422 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.353 17.362 1.275 1.00 0.00 H new ATOM 549 N SER A 36 -9.254 12.838 1.474 1.00 0.00 N ATOM 550 CA SER A 36 -9.762 11.487 1.275 1.00 0.00 C ATOM 551 C SER A 36 -8.975 10.762 0.188 1.00 0.00 C ATOM 552 O SER A 36 -9.548 10.044 -0.632 1.00 0.00 O ATOM 553 CB SER A 36 -11.247 11.531 0.906 1.00 0.00 C ATOM 554 OG SER A 36 -11.827 12.772 1.271 1.00 0.00 O ATOM 0 H SER A 36 -9.308 13.435 0.649 1.00 0.00 H new ATOM 0 HA SER A 36 -9.641 10.938 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.363 11.373 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.774 10.719 1.407 1.00 0.00 H new ATOM 0 HG SER A 36 -12.801 12.720 1.172 1.00 0.00 H new ATOM 560 N ASP A 37 -7.659 10.954 0.185 1.00 0.00 N ATOM 561 CA ASP A 37 -6.799 10.315 -0.806 1.00 0.00 C ATOM 562 C ASP A 37 -5.536 9.747 -0.163 1.00 0.00 C ATOM 563 O ASP A 37 -4.888 10.402 0.653 1.00 0.00 O ATOM 564 CB ASP A 37 -6.422 11.310 -1.904 1.00 0.00 C ATOM 565 CG ASP A 37 -6.137 10.626 -3.227 1.00 0.00 C ATOM 566 OD1 ASP A 37 -7.104 10.207 -3.897 1.00 0.00 O ATOM 567 OD2 ASP A 37 -4.949 10.511 -3.592 1.00 0.00 O ATOM 0 H ASP A 37 -7.166 11.545 0.855 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.357 9.489 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.232 12.027 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.543 11.875 -1.593 1.00 0.00 H new ATOM 572 N PHE A 38 -5.197 8.521 -0.546 1.00 0.00 N ATOM 573 CA PHE A 38 -4.014 7.841 -0.028 1.00 0.00 C ATOM 574 C PHE A 38 -3.356 7.001 -1.122 1.00 0.00 C ATOM 575 O PHE A 38 -4.032 6.505 -2.023 1.00 0.00 O ATOM 576 CB PHE A 38 -4.389 6.958 1.163 1.00 0.00 C ATOM 577 CG PHE A 38 -4.410 7.700 2.469 1.00 0.00 C ATOM 578 CD1 PHE A 38 -5.517 8.448 2.839 1.00 0.00 C ATOM 579 CD2 PHE A 38 -3.323 7.650 3.326 1.00 0.00 C ATOM 580 CE1 PHE A 38 -5.538 9.132 4.040 1.00 0.00 C ATOM 581 CE2 PHE A 38 -3.338 8.332 4.528 1.00 0.00 C ATOM 582 CZ PHE A 38 -4.447 9.074 4.885 1.00 0.00 C ATOM 0 H PHE A 38 -5.731 7.973 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.301 8.595 0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.371 6.519 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.680 6.133 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.372 8.497 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.453 7.071 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.406 9.711 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.484 8.285 5.187 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.461 9.608 5.824 1.00 0.00 H new ATOM 592 N SER A 39 -2.036 6.854 -1.048 1.00 0.00 N ATOM 593 CA SER A 39 -1.293 6.082 -2.044 1.00 0.00 C ATOM 594 C SER A 39 -0.364 5.064 -1.396 1.00 0.00 C ATOM 595 O SER A 39 0.269 5.353 -0.388 1.00 0.00 O ATOM 596 CB SER A 39 -0.450 7.011 -2.909 1.00 0.00 C ATOM 597 OG SER A 39 -0.661 6.766 -4.289 1.00 0.00 O ATOM 0 H SER A 39 -1.458 7.258 -0.311 1.00 0.00 H new ATOM 0 HA SER A 39 -2.030 5.555 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.697 8.048 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.605 6.875 -2.671 1.00 0.00 H new ATOM 0 HG SER A 39 -0.108 7.378 -4.818 1.00 0.00 H new ATOM 603 N VAL A 40 -0.244 3.893 -2.008 1.00 0.00 N ATOM 604 CA VAL A 40 0.661 2.874 -1.499 1.00 0.00 C ATOM 605 C VAL A 40 1.274 2.063 -2.644 1.00 0.00 C ATOM 606 O VAL A 40 0.584 1.672 -3.586 1.00 0.00 O ATOM 607 CB VAL A 40 -0.013 1.948 -0.460 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.305 1.346 -0.986 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.947 0.864 -0.008 1.00 0.00 C ATOM 0 H VAL A 40 -0.757 3.628 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 40 1.464 3.397 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.274 2.561 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.744 0.703 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.004 2.145 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.095 0.758 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.454 0.223 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.252 0.267 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.826 1.322 0.446 1.00 0.00 H new ATOM 619 N SER A 41 2.589 1.847 -2.569 1.00 0.00 N ATOM 620 CA SER A 41 3.315 1.119 -3.616 1.00 0.00 C ATOM 621 C SER A 41 4.008 -0.141 -3.089 1.00 0.00 C ATOM 622 O SER A 41 4.602 -0.130 -2.001 1.00 0.00 O ATOM 623 CB SER A 41 4.345 2.040 -4.274 1.00 0.00 C ATOM 624 OG SER A 41 4.159 2.095 -5.678 1.00 0.00 O ATOM 0 H SER A 41 3.174 2.165 -1.796 1.00 0.00 H new ATOM 0 HA SER A 41 2.577 0.797 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.262 3.042 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.351 1.683 -4.051 1.00 0.00 H new ATOM 0 HG SER A 41 4.829 2.691 -6.074 1.00 0.00 H new ATOM 630 N LEU A 42 3.916 -1.226 -3.879 1.00 0.00 N ATOM 631 CA LEU A 42 4.525 -2.516 -3.530 1.00 0.00 C ATOM 632 C LEU A 42 5.298 -3.126 -4.689 1.00 0.00 C ATOM 633 O LEU A 42 5.042 -2.827 -5.855 1.00 0.00 O ATOM 634 CB LEU A 42 3.463 -3.535 -3.132 1.00 0.00 C ATOM 635 CG LEU A 42 3.999 -4.759 -2.394 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.605 -4.338 -1.075 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.900 -5.781 -2.170 1.00 0.00 C ATOM 0 H LEU A 42 3.420 -1.231 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 42 5.201 -2.302 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.724 -3.042 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.943 -3.868 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 42 4.770 -5.224 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.986 -5.216 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.423 -3.641 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.844 -3.854 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.307 -6.644 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.104 -5.334 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.499 -6.100 -3.132 1.00 0.00 H new ATOM 649 N LYS A 43 6.214 -4.026 -4.348 1.00 0.00 N ATOM 650 CA LYS A 43 7.000 -4.742 -5.344 1.00 0.00 C ATOM 651 C LYS A 43 6.682 -6.235 -5.301 1.00 0.00 C ATOM 652 O LYS A 43 6.206 -6.742 -4.285 1.00 0.00 O ATOM 653 CB LYS A 43 8.485 -4.542 -5.095 1.00 0.00 C ATOM 654 CG LYS A 43 8.879 -3.095 -4.907 1.00 0.00 C ATOM 655 CD LYS A 43 10.167 -2.795 -5.630 1.00 0.00 C ATOM 656 CE LYS A 43 11.314 -3.429 -4.886 1.00 0.00 C ATOM 657 NZ LYS A 43 12.611 -2.728 -5.104 1.00 0.00 N ATOM 0 H LYS A 43 6.431 -4.277 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 43 6.742 -4.345 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.775 -5.107 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.044 -4.956 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.087 -2.446 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.994 -2.879 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.123 -3.178 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.315 -1.717 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.087 -3.438 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.412 -4.468 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.278 -3.371 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.457 -1.890 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.004 -2.433 -4.188 1.00 0.00 H new ATOM 671 N ALA A 44 6.955 -6.942 -6.395 1.00 0.00 N ATOM 672 CA ALA A 44 6.702 -8.373 -6.451 1.00 0.00 C ATOM 673 C ALA A 44 7.933 -9.106 -6.949 1.00 0.00 C ATOM 674 O ALA A 44 8.984 -8.500 -7.159 1.00 0.00 O ATOM 675 CB ALA A 44 5.523 -8.671 -7.358 1.00 0.00 C ATOM 0 H ALA A 44 7.349 -6.547 -7.249 1.00 0.00 H new ATOM 0 HA ALA A 44 6.466 -8.718 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.349 -9.747 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.634 -8.170 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.738 -8.311 -8.364 1.00 0.00 H new ATOM 681 N SER A 45 7.801 -10.409 -7.150 1.00 0.00 N ATOM 682 CA SER A 45 8.911 -11.198 -7.639 1.00 0.00 C ATOM 683 C SER A 45 9.233 -10.801 -9.074 1.00 0.00 C ATOM 684 O SER A 45 8.831 -11.474 -10.024 1.00 0.00 O ATOM 685 CB SER A 45 8.580 -12.691 -7.556 1.00 0.00 C ATOM 686 OG SER A 45 7.306 -12.904 -6.971 1.00 0.00 O ATOM 0 H SER A 45 6.943 -10.934 -6.983 1.00 0.00 H new ATOM 0 HA SER A 45 9.785 -11.007 -7.016 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.601 -13.127 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.342 -13.203 -6.969 1.00 0.00 H new ATOM 0 HG SER A 45 7.120 -13.865 -6.932 1.00 0.00 H new ATOM 692 N GLY A 46 9.965 -9.701 -9.222 1.00 0.00 N ATOM 693 CA GLY A 46 10.335 -9.231 -10.541 1.00 0.00 C ATOM 694 C GLY A 46 9.693 -7.916 -10.918 1.00 0.00 C ATOM 695 O GLY A 46 10.377 -6.972 -11.315 1.00 0.00 O ATOM 0 H GLY A 46 10.308 -9.128 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.419 -9.123 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.057 -9.985 -11.277 1.00 0.00 H new ATOM 699 N LYS A 47 8.379 -7.861 -10.815 1.00 0.00 N ATOM 700 CA LYS A 47 7.628 -6.681 -11.161 1.00 0.00 C ATOM 701 C LYS A 47 7.044 -6.012 -9.930 1.00 0.00 C ATOM 702 O LYS A 47 7.014 -6.589 -8.847 1.00 0.00 O ATOM 703 CB LYS A 47 6.533 -7.021 -12.162 1.00 0.00 C ATOM 704 CG LYS A 47 6.016 -8.439 -12.062 1.00 0.00 C ATOM 705 CD LYS A 47 5.358 -8.657 -10.721 1.00 0.00 C ATOM 706 CE LYS A 47 5.832 -9.947 -10.067 1.00 0.00 C ATOM 707 NZ LYS A 47 4.701 -10.714 -9.474 1.00 0.00 N ATOM 0 H LYS A 47 7.805 -8.638 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 47 8.315 -5.972 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.700 -6.332 -12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.914 -6.856 -13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.301 -8.631 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.837 -9.144 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.578 -7.814 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.276 -8.689 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.341 -10.564 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.560 -9.715 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.062 -11.345 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.011 -10.053 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.239 -11.280 -10.214 1.00 0.00 H new ATOM 721 N ASN A 48 6.585 -4.789 -10.113 1.00 0.00 N ATOM 722 CA ASN A 48 5.994 -4.016 -9.028 1.00 0.00 C ATOM 723 C ASN A 48 4.487 -3.865 -9.220 1.00 0.00 C ATOM 724 O ASN A 48 4.000 -3.793 -10.349 1.00 0.00 O ATOM 725 CB ASN A 48 6.650 -2.637 -8.941 1.00 0.00 C ATOM 726 CG ASN A 48 6.732 -1.952 -10.291 1.00 0.00 C ATOM 727 OD1 ASN A 48 7.167 -2.547 -11.278 1.00 0.00 O ATOM 728 ND2 ASN A 48 6.312 -0.694 -10.341 1.00 0.00 N ATOM 0 H ASN A 48 6.609 -4.303 -11.009 1.00 0.00 H new ATOM 0 HA ASN A 48 6.169 -4.554 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.083 -2.011 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.653 -2.740 -8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.342 -0.181 -11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.959 -0.240 -9.498 1.00 0.00 H new ATOM 735 N LYS A 49 3.755 -3.820 -8.111 1.00 0.00 N ATOM 736 CA LYS A 49 2.303 -3.679 -8.155 1.00 0.00 C ATOM 737 C LYS A 49 1.875 -2.278 -7.725 1.00 0.00 C ATOM 738 O LYS A 49 2.168 -1.847 -6.610 1.00 0.00 O ATOM 739 CB LYS A 49 1.644 -4.718 -7.249 1.00 0.00 C ATOM 740 CG LYS A 49 2.136 -6.135 -7.490 1.00 0.00 C ATOM 741 CD LYS A 49 0.997 -7.136 -7.409 1.00 0.00 C ATOM 742 CE LYS A 49 0.360 -7.366 -8.770 1.00 0.00 C ATOM 743 NZ LYS A 49 1.348 -7.858 -9.770 1.00 0.00 N ATOM 0 H LYS A 49 4.144 -3.879 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 49 1.981 -3.839 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.829 -4.450 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.565 -4.687 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.608 -6.196 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.898 -6.388 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.370 -8.082 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.243 -6.775 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.450 -8.089 -8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.083 -6.436 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.850 -8.361 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.868 -7.051 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.017 -8.506 -9.307 1.00 0.00 H new ATOM 757 N HIS A 50 1.173 -1.573 -8.609 1.00 0.00 N ATOM 758 CA HIS A 50 0.702 -0.226 -8.302 1.00 0.00 C ATOM 759 C HIS A 50 -0.556 -0.288 -7.449 1.00 0.00 C ATOM 760 O HIS A 50 -1.408 -1.155 -7.646 1.00 0.00 O ATOM 761 CB HIS A 50 0.425 0.564 -9.582 1.00 0.00 C ATOM 762 CG HIS A 50 -0.311 -0.217 -10.626 1.00 0.00 C ATOM 763 ND1 HIS A 50 -1.687 -0.297 -10.675 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.143 -0.955 -11.668 1.00 0.00 C ATOM 765 CE1 HIS A 50 -2.047 -1.051 -11.698 1.00 0.00 C ATOM 766 NE2 HIS A 50 -0.956 -1.461 -12.317 1.00 0.00 N ATOM 0 H HIS A 50 0.919 -1.910 -9.538 1.00 0.00 H new ATOM 0 HA HIS A 50 1.487 0.286 -7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.154 1.453 -9.331 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.372 0.907 -9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.176 -1.115 -11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.062 -1.291 -11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.933 -2.058 -13.144 1.00 0.00 H new ATOM 775 N PHE A 51 -0.663 0.625 -6.493 1.00 0.00 N ATOM 776 CA PHE A 51 -1.819 0.651 -5.605 1.00 0.00 C ATOM 777 C PHE A 51 -2.150 2.070 -5.144 1.00 0.00 C ATOM 778 O PHE A 51 -1.287 2.794 -4.650 1.00 0.00 O ATOM 779 CB PHE A 51 -1.553 -0.252 -4.396 1.00 0.00 C ATOM 780 CG PHE A 51 -2.753 -1.021 -3.909 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.763 -1.412 -4.778 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.864 -1.355 -2.569 1.00 0.00 C ATOM 783 CE1 PHE A 51 -4.857 -2.117 -4.316 1.00 0.00 C ATOM 784 CE2 PHE A 51 -3.956 -2.059 -2.104 1.00 0.00 C ATOM 785 CZ PHE A 51 -4.954 -2.440 -2.978 1.00 0.00 C ATOM 0 H PHE A 51 0.030 1.352 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.682 0.281 -6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.765 -0.960 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.175 0.361 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.692 -1.162 -5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.086 -1.061 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.636 -2.415 -5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.030 -2.312 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.810 -2.990 -2.615 1.00 0.00 H new ATOM 795 N LYS A 52 -3.415 2.454 -5.301 1.00 0.00 N ATOM 796 CA LYS A 52 -3.877 3.777 -4.891 1.00 0.00 C ATOM 797 C LYS A 52 -5.164 3.662 -4.081 1.00 0.00 C ATOM 798 O LYS A 52 -6.079 2.930 -4.459 1.00 0.00 O ATOM 799 CB LYS A 52 -4.110 4.668 -6.112 1.00 0.00 C ATOM 800 CG LYS A 52 -3.911 6.149 -5.831 1.00 0.00 C ATOM 801 CD LYS A 52 -4.279 7.000 -7.036 1.00 0.00 C ATOM 802 CE LYS A 52 -3.141 7.069 -8.042 1.00 0.00 C ATOM 803 NZ LYS A 52 -3.580 7.668 -9.333 1.00 0.00 N ATOM 0 H LYS A 52 -4.140 1.865 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.105 4.230 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.431 4.363 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.124 4.509 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.521 6.443 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.872 6.332 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.166 6.587 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.535 8.007 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.324 7.659 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.752 6.067 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.777 7.698 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.343 7.091 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.928 8.634 -9.167 1.00 0.00 H new ATOM 817 N VAL A 53 -5.230 4.379 -2.965 1.00 0.00 N ATOM 818 CA VAL A 53 -6.409 4.338 -2.108 1.00 0.00 C ATOM 819 C VAL A 53 -7.137 5.679 -2.088 1.00 0.00 C ATOM 820 O VAL A 53 -6.659 6.648 -1.510 1.00 0.00 O ATOM 821 CB VAL A 53 -6.021 3.947 -0.668 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.251 3.808 0.219 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.216 2.659 -0.680 1.00 0.00 C ATOM 0 H VAL A 53 -4.485 4.992 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.081 3.586 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.406 4.744 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.943 3.532 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.786 4.757 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.905 3.036 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.946 2.389 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.813 1.861 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.310 2.801 -1.270 1.00 0.00 H new ATOM 833 N GLN A 54 -8.305 5.714 -2.717 1.00 0.00 N ATOM 834 CA GLN A 54 -9.124 6.923 -2.776 1.00 0.00 C ATOM 835 C GLN A 54 -10.521 6.652 -2.239 1.00 0.00 C ATOM 836 O GLN A 54 -11.081 5.581 -2.456 1.00 0.00 O ATOM 837 CB GLN A 54 -9.206 7.439 -4.214 1.00 0.00 C ATOM 838 CG GLN A 54 -9.587 8.907 -4.312 1.00 0.00 C ATOM 839 CD GLN A 54 -11.037 9.110 -4.704 1.00 0.00 C ATOM 840 OE1 GLN A 54 -11.780 9.824 -4.030 1.00 0.00 O ATOM 841 NE2 GLN A 54 -11.448 8.481 -5.800 1.00 0.00 N ATOM 0 H GLN A 54 -8.711 4.912 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.655 7.685 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.242 7.289 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.936 6.845 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.403 9.391 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.945 9.397 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.798 7.899 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.414 8.580 -6.113 1.00 0.00 H new ATOM 850 N LEU A 55 -11.081 7.629 -1.542 1.00 0.00 N ATOM 851 CA LEU A 55 -12.413 7.495 -0.979 1.00 0.00 C ATOM 852 C LEU A 55 -13.469 7.847 -2.033 1.00 0.00 C ATOM 853 O LEU A 55 -13.568 8.987 -2.481 1.00 0.00 O ATOM 854 CB LEU A 55 -12.516 8.364 0.293 1.00 0.00 C ATOM 855 CG LEU A 55 -13.794 9.190 0.495 1.00 0.00 C ATOM 856 CD1 LEU A 55 -13.794 10.395 -0.429 1.00 0.00 C ATOM 857 CD2 LEU A 55 -15.043 8.337 0.299 1.00 0.00 C ATOM 0 H LEU A 55 -10.631 8.525 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.602 6.462 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.401 7.709 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.669 9.050 0.299 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.810 9.550 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.706 10.972 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.928 11.020 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.748 10.059 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.931 8.952 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.050 7.930 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.042 7.519 1.020 1.00 0.00 H new ATOM 869 N VAL A 56 -14.242 6.844 -2.440 1.00 0.00 N ATOM 870 CA VAL A 56 -15.282 7.029 -3.444 1.00 0.00 C ATOM 871 C VAL A 56 -16.676 6.879 -2.837 1.00 0.00 C ATOM 872 O VAL A 56 -16.943 5.925 -2.119 1.00 0.00 O ATOM 873 CB VAL A 56 -15.126 6.026 -4.607 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.336 5.111 -4.693 1.00 0.00 C ATOM 875 CG2 VAL A 56 -14.912 6.760 -5.923 1.00 0.00 C ATOM 0 H VAL A 56 -14.166 5.890 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.169 8.042 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.247 5.411 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.206 4.412 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.439 4.556 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.232 5.708 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.804 6.036 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.769 7.403 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.009 7.368 -5.858 1.00 0.00 H new ATOM 885 N ASP A 57 -17.562 7.805 -3.171 1.00 0.00 N ATOM 886 CA ASP A 57 -18.950 7.783 -2.697 1.00 0.00 C ATOM 887 C ASP A 57 -19.077 7.227 -1.276 1.00 0.00 C ATOM 888 O ASP A 57 -19.738 6.213 -1.054 1.00 0.00 O ATOM 889 CB ASP A 57 -19.817 6.961 -3.652 1.00 0.00 C ATOM 890 CG ASP A 57 -21.283 7.337 -3.569 1.00 0.00 C ATOM 891 OD1 ASP A 57 -21.704 7.855 -2.514 1.00 0.00 O ATOM 892 OD2 ASP A 57 -22.012 7.113 -4.559 1.00 0.00 O ATOM 0 H ASP A 57 -17.346 8.596 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.296 8.816 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -19.465 7.105 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -19.703 5.902 -3.422 1.00 0.00 H new ATOM 897 N ASN A 58 -18.449 7.901 -0.321 1.00 0.00 N ATOM 898 CA ASN A 58 -18.504 7.479 1.080 1.00 0.00 C ATOM 899 C ASN A 58 -17.893 6.085 1.265 1.00 0.00 C ATOM 900 O ASN A 58 -18.144 5.404 2.260 1.00 0.00 O ATOM 901 CB ASN A 58 -19.964 7.531 1.577 1.00 0.00 C ATOM 902 CG ASN A 58 -20.557 6.173 1.921 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.437 5.700 3.050 1.00 0.00 O ATOM 904 ND2 ASN A 58 -21.206 5.544 0.947 1.00 0.00 N ATOM 0 H ASN A 58 -17.895 8.742 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.908 8.166 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.013 8.170 2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.580 8.000 0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.629 4.632 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.282 5.973 0.025 1.00 0.00 H new ATOM 911 N VAL A 59 -17.076 5.676 0.306 1.00 0.00 N ATOM 912 CA VAL A 59 -16.419 4.379 0.354 1.00 0.00 C ATOM 913 C VAL A 59 -14.918 4.542 0.150 1.00 0.00 C ATOM 914 O VAL A 59 -14.474 5.510 -0.455 1.00 0.00 O ATOM 915 CB VAL A 59 -17.001 3.415 -0.709 1.00 0.00 C ATOM 916 CG1 VAL A 59 -15.925 2.514 -1.295 1.00 0.00 C ATOM 917 CG2 VAL A 59 -18.125 2.586 -0.108 1.00 0.00 C ATOM 0 H VAL A 59 -16.851 6.229 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.601 3.946 1.337 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.403 4.017 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.370 1.851 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.157 3.125 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.476 1.919 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -18.526 1.912 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.740 2.003 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.917 3.247 0.244 1.00 0.00 H new ATOM 927 N TYR A 60 -14.137 3.597 0.653 1.00 0.00 N ATOM 928 CA TYR A 60 -12.691 3.668 0.509 1.00 0.00 C ATOM 929 C TYR A 60 -12.204 2.654 -0.518 1.00 0.00 C ATOM 930 O TYR A 60 -12.254 1.448 -0.289 1.00 0.00 O ATOM 931 CB TYR A 60 -12.021 3.429 1.858 1.00 0.00 C ATOM 932 CG TYR A 60 -12.245 4.546 2.853 1.00 0.00 C ATOM 933 CD1 TYR A 60 -11.748 5.822 2.619 1.00 0.00 C ATOM 934 CD2 TYR A 60 -12.954 4.322 4.027 1.00 0.00 C ATOM 935 CE1 TYR A 60 -11.951 6.844 3.527 1.00 0.00 C ATOM 936 CE2 TYR A 60 -13.160 5.339 4.940 1.00 0.00 C ATOM 937 CZ TYR A 60 -12.657 6.597 4.686 1.00 0.00 C ATOM 938 OH TYR A 60 -12.860 7.611 5.594 1.00 0.00 O ATOM 0 H TYR A 60 -14.476 2.779 1.160 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.423 4.664 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.396 2.497 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.950 3.300 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.194 6.019 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.350 3.338 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.559 7.831 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -13.713 5.149 5.848 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.376 7.271 6.354 1.00 0.00 H new ATOM 948 N CYS A 61 -11.746 3.150 -1.660 1.00 0.00 N ATOM 949 CA CYS A 61 -11.271 2.277 -2.724 1.00 0.00 C ATOM 950 C CYS A 61 -9.772 2.021 -2.612 1.00 0.00 C ATOM 951 O CYS A 61 -9.022 2.849 -2.103 1.00 0.00 O ATOM 952 CB CYS A 61 -11.622 2.868 -4.098 1.00 0.00 C ATOM 953 SG CYS A 61 -10.395 4.006 -4.791 1.00 0.00 S ATOM 0 H CYS A 61 -11.694 4.146 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.775 1.316 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.769 2.048 -4.801 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.574 3.393 -4.016 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.379 5.104 -4.095 1.00 0.00 H new ATOM 959 N ILE A 62 -9.357 0.857 -3.096 1.00 0.00 N ATOM 960 CA ILE A 62 -7.950 0.456 -3.067 1.00 0.00 C ATOM 961 C ILE A 62 -7.558 -0.188 -4.394 1.00 0.00 C ATOM 962 O ILE A 62 -8.019 -1.281 -4.724 1.00 0.00 O ATOM 963 CB ILE A 62 -7.653 -0.542 -1.917 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.697 -0.416 -0.803 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.249 -0.325 -1.356 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.653 0.910 -0.078 1.00 0.00 C ATOM 0 H ILE A 62 -9.978 0.167 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.364 1.359 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.707 -1.550 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.690 -0.554 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.546 -1.220 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.065 -1.037 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.514 -0.474 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.165 0.690 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.420 0.927 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.672 1.042 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.835 1.718 -0.786 1.00 0.00 H new ATOM 978 N GLY A 63 -6.713 0.498 -5.158 1.00 0.00 N ATOM 979 CA GLY A 63 -6.287 -0.023 -6.444 1.00 0.00 C ATOM 980 C GLY A 63 -7.341 0.168 -7.518 1.00 0.00 C ATOM 981 O GLY A 63 -7.661 1.298 -7.888 1.00 0.00 O ATOM 0 H GLY A 63 -6.316 1.404 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.366 0.475 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.059 -1.084 -6.346 1.00 0.00 H new ATOM 985 N GLN A 64 -7.886 -0.938 -8.017 1.00 0.00 N ATOM 986 CA GLN A 64 -8.915 -0.886 -9.052 1.00 0.00 C ATOM 987 C GLN A 64 -10.219 -1.500 -8.549 1.00 0.00 C ATOM 988 O GLN A 64 -10.958 -2.127 -9.308 1.00 0.00 O ATOM 989 CB GLN A 64 -8.441 -1.616 -10.310 1.00 0.00 C ATOM 990 CG GLN A 64 -7.201 -1.000 -10.939 1.00 0.00 C ATOM 991 CD GLN A 64 -7.442 -0.514 -12.355 1.00 0.00 C ATOM 992 OE1 GLN A 64 -7.623 -1.312 -13.275 1.00 0.00 O ATOM 993 NE2 GLN A 64 -7.444 0.801 -12.537 1.00 0.00 N ATOM 0 H GLN A 64 -7.633 -1.881 -7.722 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.098 0.160 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.233 -2.656 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.247 -1.620 -11.044 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.864 -0.165 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.397 -1.736 -10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.290 1.426 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.600 1.187 -13.468 1.00 0.00 H new ATOM 1002 N ARG A 65 -10.490 -1.311 -7.262 1.00 0.00 N ATOM 1003 CA ARG A 65 -11.699 -1.838 -6.638 1.00 0.00 C ATOM 1004 C ARG A 65 -12.071 -1.001 -5.419 1.00 0.00 C ATOM 1005 O ARG A 65 -11.275 -0.186 -4.954 1.00 0.00 O ATOM 1006 CB ARG A 65 -11.499 -3.300 -6.233 1.00 0.00 C ATOM 1007 CG ARG A 65 -12.782 -4.117 -6.238 1.00 0.00 C ATOM 1008 CD ARG A 65 -13.472 -4.069 -7.593 1.00 0.00 C ATOM 1009 NE ARG A 65 -14.568 -3.101 -7.618 1.00 0.00 N ATOM 1010 CZ ARG A 65 -15.730 -3.301 -8.238 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -15.957 -4.428 -8.903 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -16.670 -2.366 -8.198 1.00 0.00 N ATOM 0 H ARG A 65 -9.884 -0.793 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.512 -1.786 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.782 -3.761 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.060 -3.335 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.556 -5.152 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.458 -3.738 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.743 -3.811 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.857 -5.059 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.434 -2.216 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.238 -5.151 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.850 -4.571 -9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.502 -1.496 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.560 -2.517 -8.672 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.286 -1.189 -4.908 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.746 -0.430 -3.753 1.00 0.00 C ATOM 1028 C ARG A 66 -14.000 -1.343 -2.560 1.00 0.00 C ATOM 1029 O ARG A 66 -14.579 -2.420 -2.694 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.009 0.345 -4.105 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.721 1.739 -4.630 1.00 0.00 C ATOM 1032 CD ARG A 66 -13.925 1.701 -5.924 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.675 1.072 -7.010 1.00 0.00 N ATOM 1034 CZ ARG A 66 -14.405 1.255 -8.301 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -13.401 2.039 -8.673 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -15.141 0.649 -9.224 1.00 0.00 N ATOM 0 H ARG A 66 -13.964 -1.857 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.962 0.275 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.573 -0.210 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.642 0.419 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.660 2.266 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.168 2.303 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.653 2.716 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.995 1.155 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.451 0.457 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.830 2.506 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.200 2.175 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.913 0.044 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.935 0.789 -10.213 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.525 -0.907 -1.398 1.00 0.00 N ATOM 1051 CA PHE A 67 -13.652 -1.679 -0.168 1.00 0.00 C ATOM 1052 C PHE A 67 -14.064 -0.803 1.011 1.00 0.00 C ATOM 1053 O PHE A 67 -13.905 0.415 0.981 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.333 -2.378 0.138 1.00 0.00 C ATOM 1055 CG PHE A 67 -11.956 -3.403 -0.894 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -12.737 -4.531 -1.088 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -10.823 -3.235 -1.675 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -12.395 -5.473 -2.041 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -10.475 -4.174 -2.628 1.00 0.00 C ATOM 1060 CZ PHE A 67 -11.263 -5.294 -2.811 1.00 0.00 C ATOM 0 H PHE A 67 -13.044 -0.015 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.437 -2.421 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.541 -1.632 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.402 -2.861 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.623 -4.676 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.205 -2.360 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.013 -6.348 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.589 -4.032 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.994 -6.029 -3.555 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.588 -1.433 2.057 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.010 -0.711 3.251 1.00 0.00 C ATOM 1072 C HIS A 68 -13.840 -0.534 4.211 1.00 0.00 C ATOM 1073 O HIS A 68 -13.979 -0.703 5.423 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.150 -1.451 3.944 1.00 0.00 C ATOM 1075 CG HIS A 68 -15.901 -2.919 4.107 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -14.776 -3.430 4.720 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -16.640 -3.990 3.731 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -14.833 -4.750 4.712 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -15.954 -5.114 4.119 1.00 0.00 N ATOM 0 H HIS A 68 -14.730 -2.442 2.102 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.364 0.275 2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.316 -1.008 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.066 -1.308 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.592 -3.964 3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.089 -5.417 5.121 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -16.261 -6.075 3.972 1.00 0.00 H new ATOM 1088 N THR A 69 -12.688 -0.192 3.652 1.00 0.00 N ATOM 1089 CA THR A 69 -11.478 0.014 4.436 1.00 0.00 C ATOM 1090 C THR A 69 -10.605 1.091 3.792 1.00 0.00 C ATOM 1091 O THR A 69 -10.695 1.322 2.589 1.00 0.00 O ATOM 1092 CB THR A 69 -10.712 -1.306 4.541 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.721 -1.235 5.550 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.030 -1.712 3.251 1.00 0.00 C ATOM 0 H THR A 69 -12.565 -0.050 2.649 1.00 0.00 H new ATOM 0 HA THR A 69 -11.749 0.351 5.437 1.00 0.00 H new ATOM 0 HB THR A 69 -11.466 -2.055 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.987 -0.661 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.506 -2.656 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.777 -1.830 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.315 -0.942 2.959 1.00 0.00 H new ATOM 1102 N MET A 70 -9.764 1.747 4.588 1.00 0.00 N ATOM 1103 CA MET A 70 -8.900 2.805 4.067 1.00 0.00 C ATOM 1104 C MET A 70 -7.415 2.517 4.337 1.00 0.00 C ATOM 1105 O MET A 70 -6.842 1.610 3.736 1.00 0.00 O ATOM 1106 CB MET A 70 -9.322 4.154 4.662 1.00 0.00 C ATOM 1107 CG MET A 70 -8.555 5.341 4.101 1.00 0.00 C ATOM 1108 SD MET A 70 -8.202 6.590 5.353 1.00 0.00 S ATOM 1109 CE MET A 70 -8.765 8.074 4.523 1.00 0.00 C ATOM 0 H MET A 70 -9.662 1.568 5.587 1.00 0.00 H new ATOM 0 HA MET A 70 -9.018 2.842 2.984 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.386 4.303 4.481 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.184 4.123 5.743 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.618 4.992 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.131 5.793 3.294 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.215 8.935 4.904 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.593 7.979 3.451 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.830 8.213 4.709 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.789 3.292 5.228 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.376 3.104 5.545 1.00 0.00 C ATOM 1121 C ASP A 71 -5.198 2.203 6.762 1.00 0.00 C ATOM 1122 O ASP A 71 -4.110 2.122 7.332 1.00 0.00 O ATOM 1123 CB ASP A 71 -4.710 4.454 5.801 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.800 5.379 4.603 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -4.318 4.994 3.517 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -5.353 6.489 4.751 1.00 0.00 O ATOM 0 H ASP A 71 -7.239 4.052 5.739 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.902 2.622 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.180 4.931 6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.662 4.297 6.057 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.266 1.514 7.146 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.214 0.605 8.284 1.00 0.00 C ATOM 1133 C GLU A 72 -5.976 -0.819 7.797 1.00 0.00 C ATOM 1134 O GLU A 72 -5.555 -1.690 8.558 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.514 0.678 9.090 1.00 0.00 C ATOM 1136 CG GLU A 72 -8.066 2.087 9.234 1.00 0.00 C ATOM 1137 CD GLU A 72 -9.142 2.185 10.298 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -10.310 1.866 9.992 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -8.816 2.581 11.437 1.00 0.00 O ATOM 0 H GLU A 72 -7.176 1.567 6.688 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.390 0.903 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.265 0.051 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.339 0.263 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.252 2.769 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.475 2.413 8.278 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.243 -1.038 6.513 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.057 -2.342 5.897 1.00 0.00 C ATOM 1148 C LEU A 73 -4.589 -2.669 5.699 1.00 0.00 C ATOM 1149 O LEU A 73 -4.243 -3.769 5.305 1.00 0.00 O ATOM 1150 CB LEU A 73 -6.778 -2.409 4.543 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.466 -1.278 3.533 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.189 -0.523 3.875 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.346 -1.838 2.126 1.00 0.00 C ATOM 0 H LEU A 73 -6.592 -0.321 5.877 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.485 -3.079 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.533 -3.362 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.852 -2.412 4.729 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.299 -0.577 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.019 0.258 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.286 -0.072 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.346 -1.214 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.127 -1.029 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.541 -2.572 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.284 -2.315 1.843 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.718 -1.725 5.963 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.307 -1.985 5.792 1.00 0.00 C ATOM 1167 C VAL A 74 -1.752 -2.723 6.999 1.00 0.00 C ATOM 1168 O VAL A 74 -0.622 -3.209 6.984 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.503 -0.699 5.569 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.372 -0.965 4.592 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.387 0.431 5.056 1.00 0.00 C ATOM 0 H VAL A 74 -3.953 -0.788 6.291 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.206 -2.604 4.901 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.090 -0.386 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.197 -0.049 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.284 -1.735 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.784 -1.302 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.784 1.327 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.838 0.138 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.172 0.637 5.783 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.566 -2.808 8.040 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.173 -3.498 9.261 1.00 0.00 C ATOM 1183 C GLU A 75 -2.465 -4.991 9.150 1.00 0.00 C ATOM 1184 O GLU A 75 -1.772 -5.815 9.747 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.907 -2.908 10.467 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.300 -3.308 11.802 1.00 0.00 C ATOM 1187 CD GLU A 75 -3.227 -3.029 12.969 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -4.407 -3.430 12.899 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.771 -2.409 13.954 1.00 0.00 O ATOM 0 H GLU A 75 -3.504 -2.408 8.065 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.101 -3.362 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.905 -1.821 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.949 -3.228 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.055 -4.370 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.364 -2.768 11.948 1.00 0.00 H new ATOM 1196 N HIS A 76 -3.499 -5.333 8.384 1.00 0.00 N ATOM 1197 CA HIS A 76 -3.885 -6.729 8.198 1.00 0.00 C ATOM 1198 C HIS A 76 -4.634 -6.929 6.869 1.00 0.00 C ATOM 1199 O HIS A 76 -5.278 -7.957 6.657 1.00 0.00 O ATOM 1200 CB HIS A 76 -4.729 -7.188 9.405 1.00 0.00 C ATOM 1201 CG HIS A 76 -5.990 -7.927 9.064 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -7.087 -7.319 8.490 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -6.324 -9.231 9.218 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -8.040 -8.215 8.308 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -7.602 -9.383 8.741 1.00 0.00 N ATOM 0 H HIS A 76 -4.083 -4.664 7.883 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.988 -7.345 8.144 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.112 -7.828 10.036 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.990 -6.312 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.701 -10.007 9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.012 -8.025 7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.128 -10.257 8.724 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.533 -5.948 5.968 1.00 0.00 N ATOM 1215 CA TYR A 77 -5.188 -6.017 4.666 1.00 0.00 C ATOM 1216 C TYR A 77 -6.603 -6.570 4.777 1.00 0.00 C ATOM 1217 O TYR A 77 -6.882 -7.705 4.391 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.340 -6.826 3.687 1.00 0.00 C ATOM 1219 CG TYR A 77 -4.128 -8.274 4.079 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.156 -8.631 5.006 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.898 -9.285 3.515 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.959 -9.953 5.360 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -4.707 -10.608 3.865 1.00 0.00 C ATOM 1224 CZ TYR A 77 -3.737 -10.937 4.788 1.00 0.00 C ATOM 1225 OH TYR A 77 -3.544 -12.254 5.139 1.00 0.00 O ATOM 0 H TYR A 77 -3.999 -5.092 6.121 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.278 -5.003 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.814 -6.795 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.367 -6.345 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.545 -7.863 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.658 -9.032 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.199 -10.214 6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.315 -11.381 3.418 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.174 -12.820 4.646 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.497 -5.739 5.307 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.899 -6.116 5.474 1.00 0.00 C ATOM 1237 C LYS A 78 -9.447 -6.694 4.173 1.00 0.00 C ATOM 1238 O LYS A 78 -9.646 -7.903 4.059 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.736 -4.910 5.914 1.00 0.00 C ATOM 1240 CG LYS A 78 -9.065 -4.048 6.975 1.00 0.00 C ATOM 1241 CD LYS A 78 -9.810 -4.107 8.299 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.526 -2.881 9.151 1.00 0.00 C ATOM 1243 NZ LYS A 78 -9.967 -1.628 8.480 1.00 0.00 N ATOM 0 H LYS A 78 -7.275 -4.797 5.629 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.961 -6.877 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.953 -4.293 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.692 -5.265 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.038 -4.383 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.018 -3.015 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.881 -4.182 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.518 -5.005 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.035 -2.979 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.458 -2.824 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.979 -0.850 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.308 -1.397 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.922 -1.760 8.091 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.656 -5.831 3.182 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.142 -6.275 1.883 1.00 0.00 C ATOM 1259 C LYS A 79 -9.213 -5.771 0.785 1.00 0.00 C ATOM 1260 O LYS A 79 -9.605 -4.991 -0.080 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.566 -5.779 1.644 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.571 -6.369 2.616 1.00 0.00 C ATOM 1263 CD LYS A 79 -13.462 -7.402 1.946 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.623 -6.749 1.213 1.00 0.00 C ATOM 1265 NZ LYS A 79 -14.887 -7.398 -0.100 1.00 0.00 N ATOM 0 H LYS A 79 -9.497 -4.826 3.255 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.154 -7.365 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.585 -4.692 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.865 -6.027 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.043 -6.831 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.187 -5.571 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.872 -7.991 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.847 -8.093 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.519 -6.803 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.406 -5.692 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.686 -6.923 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.041 -7.324 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.119 -8.401 0.049 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.976 -6.240 0.839 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.949 -5.876 -0.127 1.00 0.00 C ATOM 1281 C ALA A 80 -6.696 -7.017 -1.100 1.00 0.00 C ATOM 1282 O ALA A 80 -6.892 -8.182 -0.754 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.663 -5.492 0.589 1.00 0.00 C ATOM 0 H ALA A 80 -7.654 -6.888 1.558 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.302 -5.016 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.904 -5.222 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.852 -4.642 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.310 -6.336 1.182 1.00 0.00 H new ATOM 1289 N PRO A 81 -6.218 -6.721 -2.321 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.904 -7.760 -3.301 1.00 0.00 C ATOM 1291 C PRO A 81 -4.667 -8.540 -2.874 1.00 0.00 C ATOM 1292 O PRO A 81 -4.073 -9.274 -3.664 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.618 -6.965 -4.571 1.00 0.00 C ATOM 1294 CG PRO A 81 -5.068 -5.685 -4.059 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.882 -5.378 -2.827 1.00 0.00 C ATOM 0 HA PRO A 81 -6.702 -8.492 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.905 -7.480 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.522 -6.807 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.009 -5.778 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.159 -4.891 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.313 -4.801 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.775 -4.799 -3.065 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.281 -8.363 -1.610 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.125 -9.025 -1.061 1.00 0.00 C ATOM 1305 C ILE A 82 -3.310 -10.535 -1.135 1.00 0.00 C ATOM 1306 O ILE A 82 -4.196 -11.105 -0.499 1.00 0.00 O ATOM 1307 CB ILE A 82 -2.872 -8.562 0.378 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -2.135 -7.227 0.321 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.082 -9.598 1.168 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.247 -6.417 1.578 1.00 0.00 C ATOM 0 H ILE A 82 -4.767 -7.756 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.247 -8.759 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.822 -8.440 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.081 -7.413 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.526 -6.643 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.921 -9.236 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.640 -10.534 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.119 -9.766 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.697 -5.483 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.296 -6.198 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.829 -6.980 2.412 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.488 -11.156 -1.957 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.565 -12.599 -2.185 1.00 0.00 C ATOM 1324 C PHE A 83 -1.190 -13.241 -2.370 1.00 0.00 C ATOM 1325 O PHE A 83 -0.227 -12.581 -2.768 1.00 0.00 O ATOM 1326 CB PHE A 83 -3.434 -12.877 -3.414 1.00 0.00 C ATOM 1327 CG PHE A 83 -3.629 -14.338 -3.702 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -4.595 -15.068 -3.028 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -2.849 -14.981 -4.650 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -4.780 -16.411 -3.294 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -3.028 -16.324 -4.919 1.00 0.00 C ATOM 1332 CZ PHE A 83 -3.996 -17.040 -4.241 1.00 0.00 C ATOM 0 H PHE A 83 -1.752 -10.687 -2.485 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.010 -13.045 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.409 -12.411 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.979 -12.403 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.211 -14.581 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.093 -14.426 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.537 -16.968 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.412 -16.814 -5.659 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.139 -18.090 -4.451 1.00 0.00 H new ATOM 1342 N THR A 84 -1.122 -14.545 -2.098 1.00 0.00 N ATOM 1343 CA THR A 84 0.113 -15.310 -2.254 1.00 0.00 C ATOM 1344 C THR A 84 -0.131 -16.524 -3.149 1.00 0.00 C ATOM 1345 O THR A 84 -1.011 -17.339 -2.874 1.00 0.00 O ATOM 1346 CB THR A 84 0.643 -15.768 -0.892 1.00 0.00 C ATOM 1347 OG1 THR A 84 0.990 -14.656 -0.084 1.00 0.00 O ATOM 1348 CG2 THR A 84 1.863 -16.664 -0.995 1.00 0.00 C ATOM 0 H THR A 84 -1.914 -15.095 -1.766 1.00 0.00 H new ATOM 0 HA THR A 84 0.859 -14.665 -2.718 1.00 0.00 H new ATOM 0 HB THR A 84 -0.171 -16.338 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.861 -14.885 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.188 -16.953 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.611 -17.557 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.668 -16.127 -1.497 1.00 0.00 H new ATOM 1356 N SER A 85 0.647 -16.638 -4.222 1.00 0.00 N ATOM 1357 CA SER A 85 0.500 -17.754 -5.151 1.00 0.00 C ATOM 1358 C SER A 85 1.571 -18.819 -4.918 1.00 0.00 C ATOM 1359 O SER A 85 2.770 -18.523 -4.929 1.00 0.00 O ATOM 1360 CB SER A 85 0.562 -17.257 -6.597 1.00 0.00 C ATOM 1361 OG SER A 85 -0.452 -17.854 -7.386 1.00 0.00 O ATOM 0 H SER A 85 1.382 -15.975 -4.469 1.00 0.00 H new ATOM 0 HA SER A 85 -0.474 -18.208 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.452 -16.173 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.539 -17.486 -7.022 1.00 0.00 H new ATOM 0 HG SER A 85 -0.392 -17.519 -8.305 1.00 0.00 H new ATOM 1367 N GLU A 86 1.119 -20.059 -4.711 1.00 0.00 N ATOM 1368 CA GLU A 86 2.010 -21.197 -4.477 1.00 0.00 C ATOM 1369 C GLU A 86 3.134 -20.844 -3.507 1.00 0.00 C ATOM 1370 O GLU A 86 4.252 -21.343 -3.633 1.00 0.00 O ATOM 1371 CB GLU A 86 2.606 -21.689 -5.797 1.00 0.00 C ATOM 1372 CG GLU A 86 3.166 -23.100 -5.724 1.00 0.00 C ATOM 1373 CD GLU A 86 2.159 -24.100 -5.189 1.00 0.00 C ATOM 1374 OE1 GLU A 86 1.155 -24.363 -5.885 1.00 0.00 O ATOM 1375 OE2 GLU A 86 2.374 -24.620 -4.074 1.00 0.00 O ATOM 0 H GLU A 86 0.128 -20.301 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 86 1.412 -21.991 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.838 -21.652 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.400 -21.008 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.488 -23.411 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.050 -23.104 -5.086 1.00 0.00 H new ATOM 1382 N HIS A 87 2.835 -19.978 -2.544 1.00 0.00 N ATOM 1383 CA HIS A 87 3.829 -19.558 -1.562 1.00 0.00 C ATOM 1384 C HIS A 87 5.108 -19.086 -2.254 1.00 0.00 C ATOM 1385 O HIS A 87 6.189 -19.107 -1.666 1.00 0.00 O ATOM 1386 CB HIS A 87 4.145 -20.707 -0.599 1.00 0.00 C ATOM 1387 CG HIS A 87 3.557 -20.523 0.767 1.00 0.00 C ATOM 1388 ND1 HIS A 87 3.343 -21.568 1.642 1.00 0.00 N ATOM 1389 CD2 HIS A 87 3.139 -19.406 1.410 1.00 0.00 C ATOM 1390 CE1 HIS A 87 2.818 -21.103 2.762 1.00 0.00 C ATOM 1391 NE2 HIS A 87 2.685 -19.794 2.647 1.00 0.00 N ATOM 0 H HIS A 87 1.915 -19.554 -2.423 1.00 0.00 H new ATOM 0 HA HIS A 87 3.416 -18.725 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.772 -21.639 -1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.227 -20.808 -0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.159 -18.398 1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.544 -21.693 3.624 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.306 -19.172 3.361 1.00 0.00 H new ATOM 1400 N GLY A 88 4.970 -18.655 -3.507 1.00 0.00 N ATOM 1401 CA GLY A 88 6.112 -18.178 -4.262 1.00 0.00 C ATOM 1402 C GLY A 88 6.076 -16.677 -4.440 1.00 0.00 C ATOM 1403 O GLY A 88 7.021 -15.978 -4.073 1.00 0.00 O ATOM 0 H GLY A 88 4.084 -18.629 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.031 -18.462 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.130 -18.660 -5.239 1.00 0.00 H new ATOM 1407 N GLU A 89 4.971 -16.175 -4.982 1.00 0.00 N ATOM 1408 CA GLU A 89 4.809 -14.740 -5.177 1.00 0.00 C ATOM 1409 C GLU A 89 3.964 -14.169 -4.046 1.00 0.00 C ATOM 1410 O GLU A 89 3.013 -14.806 -3.592 1.00 0.00 O ATOM 1411 CB GLU A 89 4.177 -14.441 -6.539 1.00 0.00 C ATOM 1412 CG GLU A 89 2.697 -14.764 -6.616 1.00 0.00 C ATOM 1413 CD GLU A 89 2.051 -14.227 -7.877 1.00 0.00 C ATOM 1414 OE1 GLU A 89 1.782 -13.008 -7.934 1.00 0.00 O ATOM 1415 OE2 GLU A 89 1.815 -15.024 -8.809 1.00 0.00 O ATOM 0 H GLU A 89 4.179 -16.738 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 89 5.790 -14.265 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.321 -13.386 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.703 -15.010 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.562 -15.845 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.191 -14.345 -5.746 1.00 0.00 H new ATOM 1422 N LYS A 90 4.330 -12.988 -3.568 1.00 0.00 N ATOM 1423 CA LYS A 90 3.612 -12.374 -2.460 1.00 0.00 C ATOM 1424 C LYS A 90 3.132 -10.959 -2.769 1.00 0.00 C ATOM 1425 O LYS A 90 3.858 -10.145 -3.340 1.00 0.00 O ATOM 1426 CB LYS A 90 4.508 -12.334 -1.219 1.00 0.00 C ATOM 1427 CG LYS A 90 4.045 -13.243 -0.092 1.00 0.00 C ATOM 1428 CD LYS A 90 4.594 -14.651 -0.246 1.00 0.00 C ATOM 1429 CE LYS A 90 4.013 -15.589 0.800 1.00 0.00 C ATOM 1430 NZ LYS A 90 4.558 -15.318 2.160 1.00 0.00 N ATOM 0 H LYS A 90 5.112 -12.440 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 90 2.729 -12.989 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.521 -12.615 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.554 -11.309 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.366 -12.830 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.956 -13.277 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.363 -15.027 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.680 -14.632 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.928 -15.485 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.230 -16.620 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.135 -15.980 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.590 -15.442 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.329 -14.342 2.438 1.00 0.00 H new ATOM 1444 N LEU A 91 1.919 -10.671 -2.314 1.00 0.00 N ATOM 1445 CA LEU A 91 1.319 -9.348 -2.447 1.00 0.00 C ATOM 1446 C LEU A 91 0.781 -8.966 -1.084 1.00 0.00 C ATOM 1447 O LEU A 91 -0.359 -9.274 -0.759 1.00 0.00 O ATOM 1448 CB LEU A 91 0.173 -9.355 -3.466 1.00 0.00 C ATOM 1449 CG LEU A 91 -0.026 -8.084 -4.311 1.00 0.00 C ATOM 1450 CD1 LEU A 91 -1.496 -7.703 -4.344 1.00 0.00 C ATOM 1451 CD2 LEU A 91 0.799 -6.921 -3.789 1.00 0.00 C ATOM 0 H LEU A 91 1.322 -11.349 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 91 2.065 -8.636 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.332 -10.192 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.755 -9.552 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 91 0.317 -8.306 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.625 -6.803 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.073 -8.517 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.846 -7.515 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.629 -6.045 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.505 -6.698 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.856 -7.185 -3.814 1.00 0.00 H new ATOM 1463 N TYR A 92 1.627 -8.339 -0.280 1.00 0.00 N ATOM 1464 CA TYR A 92 1.253 -7.960 1.083 1.00 0.00 C ATOM 1465 C TYR A 92 1.567 -6.500 1.387 1.00 0.00 C ATOM 1466 O TYR A 92 2.583 -5.965 0.948 1.00 0.00 O ATOM 1467 CB TYR A 92 1.976 -8.861 2.086 1.00 0.00 C ATOM 1468 CG TYR A 92 1.300 -8.933 3.437 1.00 0.00 C ATOM 1469 CD1 TYR A 92 1.278 -7.832 4.283 1.00 0.00 C ATOM 1470 CD2 TYR A 92 0.684 -10.102 3.866 1.00 0.00 C ATOM 1471 CE1 TYR A 92 0.662 -7.894 5.518 1.00 0.00 C ATOM 1472 CE2 TYR A 92 0.065 -10.172 5.099 1.00 0.00 C ATOM 1473 CZ TYR A 92 0.057 -9.065 5.921 1.00 0.00 C ATOM 1474 OH TYR A 92 -0.558 -9.130 7.150 1.00 0.00 O ATOM 0 H TYR A 92 2.578 -8.080 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 92 0.174 -8.087 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.048 -9.867 1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.995 -8.498 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.750 -6.912 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.689 -10.971 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.655 -7.029 6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.410 -11.088 5.417 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.507 -8.905 7.053 1.00 0.00 H new ATOM 1484 N LEU A 93 0.685 -5.872 2.161 1.00 0.00 N ATOM 1485 CA LEU A 93 0.845 -4.477 2.553 1.00 0.00 C ATOM 1486 C LEU A 93 1.663 -4.379 3.837 1.00 0.00 C ATOM 1487 O LEU A 93 1.197 -3.858 4.850 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.531 -3.814 2.729 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.163 -3.270 1.436 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.642 -2.983 1.612 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.469 -2.012 0.992 1.00 0.00 C ATOM 0 H LEU A 93 -0.156 -6.314 2.532 1.00 0.00 H new ATOM 0 HA LEU A 93 1.382 -3.948 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.213 -4.540 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.434 -2.994 3.441 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.045 -4.043 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.052 -2.601 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.161 -3.901 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.777 -2.240 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.932 -1.645 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.555 -1.255 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.584 -2.223 0.807 1.00 0.00 H new ATOM 1503 N VAL A 94 2.890 -4.897 3.778 1.00 0.00 N ATOM 1504 CA VAL A 94 3.795 -4.887 4.926 1.00 0.00 C ATOM 1505 C VAL A 94 3.890 -3.491 5.555 1.00 0.00 C ATOM 1506 O VAL A 94 3.009 -3.095 6.318 1.00 0.00 O ATOM 1507 CB VAL A 94 5.205 -5.395 4.542 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.275 -6.910 4.655 1.00 0.00 C ATOM 1509 CG2 VAL A 94 5.585 -4.944 3.138 1.00 0.00 C ATOM 0 H VAL A 94 3.281 -5.331 2.942 1.00 0.00 H new ATOM 0 HA VAL A 94 3.375 -5.569 5.665 1.00 0.00 H new ATOM 0 HB VAL A 94 5.922 -4.962 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.274 -7.250 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.059 -7.209 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.543 -7.359 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.580 -5.315 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.865 -5.339 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.582 -3.855 3.092 1.00 0.00 H new ATOM 1519 N ARG A 95 4.949 -2.741 5.240 1.00 0.00 N ATOM 1520 CA ARG A 95 5.114 -1.402 5.793 1.00 0.00 C ATOM 1521 C ARG A 95 6.198 -0.616 5.085 1.00 0.00 C ATOM 1522 O ARG A 95 6.890 -1.115 4.198 1.00 0.00 O ATOM 1523 CB ARG A 95 5.430 -1.424 7.285 1.00 0.00 C ATOM 1524 CG ARG A 95 4.196 -1.351 8.169 1.00 0.00 C ATOM 1525 CD ARG A 95 4.032 -2.607 9.012 1.00 0.00 C ATOM 1526 NE ARG A 95 3.269 -2.349 10.231 1.00 0.00 N ATOM 1527 CZ ARG A 95 3.309 -3.125 11.312 1.00 0.00 C ATOM 1528 NH1 ARG A 95 4.078 -4.207 11.336 1.00 0.00 N ATOM 1529 NH2 ARG A 95 2.577 -2.815 12.374 1.00 0.00 N ATOM 0 H ARG A 95 5.696 -3.037 4.611 1.00 0.00 H new ATOM 0 HA ARG A 95 4.153 -0.911 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.980 -2.336 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.086 -0.586 7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.267 -0.481 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.311 -1.212 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.529 -3.375 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.015 -2.999 9.275 1.00 0.00 H new ATOM 0 HE ARG A 95 2.669 -1.524 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.644 -4.449 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.103 -4.796 12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.986 -1.984 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.606 -3.408 13.204 1.00 0.00 H new ATOM 1543 N ALA A 96 6.311 0.633 5.498 1.00 0.00 N ATOM 1544 CA ALA A 96 7.274 1.562 4.947 1.00 0.00 C ATOM 1545 C ALA A 96 8.686 1.297 5.457 1.00 0.00 C ATOM 1546 O ALA A 96 8.914 1.175 6.660 1.00 0.00 O ATOM 1547 CB ALA A 96 6.845 2.963 5.319 1.00 0.00 C ATOM 0 H ALA A 96 5.729 1.033 6.234 1.00 0.00 H new ATOM 0 HA ALA A 96 7.300 1.437 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.557 3.681 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.855 3.162 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.812 3.057 6.404 1.00 0.00 H new ATOM 1553 N LEU A 97 9.632 1.217 4.524 1.00 0.00 N ATOM 1554 CA LEU A 97 11.030 0.976 4.861 1.00 0.00 C ATOM 1555 C LEU A 97 11.227 -0.436 5.398 1.00 0.00 C ATOM 1556 O LEU A 97 10.677 -0.800 6.438 1.00 0.00 O ATOM 1557 CB LEU A 97 11.516 2.010 5.884 1.00 0.00 C ATOM 1558 CG LEU A 97 11.036 3.448 5.645 1.00 0.00 C ATOM 1559 CD1 LEU A 97 11.975 4.441 6.312 1.00 0.00 C ATOM 1560 CD2 LEU A 97 10.926 3.747 4.155 1.00 0.00 C ATOM 0 H LEU A 97 9.453 1.316 3.525 1.00 0.00 H new ATOM 0 HA LEU A 97 11.622 1.077 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.190 1.696 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.606 2.005 5.891 1.00 0.00 H new ATOM 0 HG LEU A 97 10.045 3.549 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.619 5.455 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.003 4.251 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.977 4.329 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.584 4.772 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.902 3.622 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.213 3.061 3.698 1.00 0.00 H new ATOM 1572 N GLN A 98 12.016 -1.227 4.676 1.00 0.00 N ATOM 1573 CA GLN A 98 12.292 -2.603 5.069 1.00 0.00 C ATOM 1574 C GLN A 98 13.263 -3.261 4.094 1.00 0.00 C ATOM 1575 O GLN A 98 13.559 -2.646 3.048 1.00 0.00 O ATOM 1576 CB GLN A 98 10.994 -3.409 5.130 1.00 0.00 C ATOM 1577 CG GLN A 98 11.192 -4.840 5.603 1.00 0.00 C ATOM 1578 CD GLN A 98 11.940 -4.930 6.920 1.00 0.00 C ATOM 1579 OE1 GLN A 98 12.762 -5.825 7.121 1.00 0.00 O ATOM 1580 NE2 GLN A 98 11.660 -4.001 7.828 1.00 0.00 N ATOM 1581 OXT GLN A 98 13.718 -4.388 4.383 1.00 0.00 O ATOM 0 H GLN A 98 12.476 -0.936 3.813 1.00 0.00 H new ATOM 0 HA GLN A 98 12.749 -2.587 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.295 -2.907 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.536 -3.421 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.219 -5.319 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 98 11.739 -5.396 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.972 -3.277 7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.133 -4.012 8.732 1.00 0.00 H new TER 1590 GLN A 98