USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1026 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 115 GLN : amide:sc= -1.93 K(o=-1.9,f=-6.8!) USER MOD Set 1.2: A 117 TYR OH : rot -4:sc= 0.00426 USER MOD Set 2.1: A 41 THR OG1 : rot 72:sc= -0.037 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -155:sc= -0.0853 (180deg=-0.612) USER MOD Set 3.1: A 11 SER OG : rot 150:sc= -0.0236 USER MOD Set 3.2: A 33 HIS :FLIP no HD1:sc= -2.25 F(o=-4.2!,f=-2.3) USER MOD Single : A 1 ALA N :NH3+ 167:sc= -0.0514 (180deg=-0.184) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 13 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.1!) USER MOD Single : A 14 TYR OH : rot -81:sc= 0.259 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 155:sc= -1.2 (180deg=-2.76!) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0108) USER MOD Single : A 21 MET CE :methyl -159:sc= -0.491 (180deg=-1.55) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc=-0.00668 (180deg=-0.125) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= -1.22 (180deg=-1.49) USER MOD Single : A 39 THR OG1 : rot 97:sc= 1.2 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.6) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= -0.351 (180deg=-0.684) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.117 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.533 F(o=-1.3,f=-0.53) USER MOD Single : A 67 THR OG1 : rot -52:sc= 0.0558 USER MOD Single : A 69 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.3!) USER MOD Single : A 70 TYR OH : rot -125:sc= -2.92! USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.98 USER MOD Single : A 83 SER OG : rot 22:sc= 0.48 USER MOD Single : A 87 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.014) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0.142 (180deg=0.14) USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= -0.221 (180deg=-0.722) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 157:sc= 0.776 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 100 ASN : amide:sc= -0.486 K(o=-0.49,f=-3.1!) USER MOD Single : A 103 ASN : amide:sc= -2.15! C(o=-2.1!,f=-8!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -3.25 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 174:sc= -2.15 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 173:sc= -0.571 (180deg=-0.635) USER MOD Single : A 130 LYS NZ :NH3+ -132:sc= 1.38 (180deg=0.0362) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.272 -0.670 17.597 1.00 0.00 N ATOM 2 CA ALA A 1 -4.425 -1.399 17.008 1.00 0.00 C ATOM 3 C ALA A 1 -4.240 -1.601 15.508 1.00 0.00 C ATOM 4 O ALA A 1 -5.213 -1.714 14.763 1.00 0.00 O ATOM 5 CB ALA A 1 -5.717 -0.647 17.279 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.515 -0.353 18.557 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.447 -1.302 17.639 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.046 0.156 17.007 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.479 -2.381 17.479 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.554 -1.192 16.842 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.866 -0.555 18.355 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.660 0.347 16.835 1.00 0.00 H new ATOM 13 N PHE A 2 -2.986 -1.644 15.071 1.00 0.00 N ATOM 14 CA PHE A 2 -2.677 -1.832 13.660 1.00 0.00 C ATOM 15 C PHE A 2 -2.894 -3.286 13.247 1.00 0.00 C ATOM 16 O PHE A 2 -3.591 -3.566 12.273 1.00 0.00 O ATOM 17 CB PHE A 2 -1.229 -1.414 13.377 1.00 0.00 C ATOM 18 CG PHE A 2 -1.071 -0.486 12.200 1.00 0.00 C ATOM 19 CD1 PHE A 2 -2.042 0.458 11.898 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.055 -0.559 11.397 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.889 1.307 10.818 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.210 0.289 10.317 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.763 1.221 10.027 1.00 0.00 C ATOM 0 H PHE A 2 -2.168 -1.551 15.674 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.349 -1.205 13.075 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.823 -0.929 14.265 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.632 -2.309 13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.927 0.530 12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.821 -1.287 11.618 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.652 2.038 10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.094 0.221 9.700 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.644 1.883 9.182 1.00 0.00 H new ATOM 33 N ASP A 3 -2.292 -4.204 13.997 1.00 0.00 N ATOM 34 CA ASP A 3 -2.412 -5.633 13.714 1.00 0.00 C ATOM 35 C ASP A 3 -3.876 -6.064 13.662 1.00 0.00 C ATOM 36 O ASP A 3 -4.532 -6.189 14.695 1.00 0.00 O ATOM 37 CB ASP A 3 -1.668 -6.445 14.776 1.00 0.00 C ATOM 38 CG ASP A 3 -1.681 -7.935 14.487 1.00 0.00 C ATOM 39 OD1 ASP A 3 -2.417 -8.357 13.570 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.953 -8.679 15.177 1.00 0.00 O ATOM 0 H ASP A 3 -1.714 -3.984 14.808 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.966 -5.821 12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.636 -6.099 14.835 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.122 -6.264 15.750 1.00 0.00 H new ATOM 45 N SER A 4 -4.379 -6.293 12.450 1.00 0.00 N ATOM 46 CA SER A 4 -5.767 -6.711 12.260 1.00 0.00 C ATOM 47 C SER A 4 -6.112 -6.801 10.776 1.00 0.00 C ATOM 48 O SER A 4 -5.257 -6.591 9.915 1.00 0.00 O ATOM 49 CB SER A 4 -6.717 -5.724 12.944 1.00 0.00 C ATOM 50 OG SER A 4 -7.774 -6.402 13.601 1.00 0.00 O ATOM 0 H SER A 4 -3.847 -6.196 11.585 1.00 0.00 H new ATOM 0 HA SER A 4 -5.884 -7.698 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.163 -5.123 13.665 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.127 -5.037 12.204 1.00 0.00 H new ATOM 0 HG SER A 4 -8.365 -5.749 14.031 1.00 0.00 H new ATOM 56 N THR A 5 -7.378 -7.093 10.484 1.00 0.00 N ATOM 57 CA THR A 5 -7.843 -7.184 9.104 1.00 0.00 C ATOM 58 C THR A 5 -8.299 -5.812 8.634 1.00 0.00 C ATOM 59 O THR A 5 -9.244 -5.245 9.183 1.00 0.00 O ATOM 60 CB THR A 5 -8.994 -8.180 8.982 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.605 -9.461 9.446 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.491 -8.334 7.564 1.00 0.00 C ATOM 0 H THR A 5 -8.098 -7.270 11.184 1.00 0.00 H new ATOM 0 HA THR A 5 -7.020 -7.534 8.481 1.00 0.00 H new ATOM 0 HB THR A 5 -9.799 -7.773 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.358 -10.082 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.309 -9.054 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.845 -7.371 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.678 -8.688 6.930 1.00 0.00 H new ATOM 70 N TRP A 6 -7.612 -5.262 7.640 1.00 0.00 N ATOM 71 CA TRP A 6 -7.949 -3.939 7.141 1.00 0.00 C ATOM 72 C TRP A 6 -8.426 -3.986 5.700 1.00 0.00 C ATOM 73 O TRP A 6 -7.748 -4.506 4.815 1.00 0.00 O ATOM 74 CB TRP A 6 -6.744 -3.003 7.273 1.00 0.00 C ATOM 75 CG TRP A 6 -6.419 -2.651 8.692 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.616 -3.432 9.794 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.842 -1.431 9.164 1.00 0.00 C ATOM 78 NE1 TRP A 6 -6.204 -2.770 10.923 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.725 -1.540 10.564 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.414 -0.257 8.542 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -5.199 -0.521 11.349 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.891 0.755 9.324 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.788 0.617 10.714 1.00 0.00 C ATOM 0 H TRP A 6 -6.825 -5.709 7.169 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.770 -3.555 7.746 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.875 -3.475 6.815 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.941 -2.088 6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.035 -4.427 9.779 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.248 -3.135 11.874 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.490 -0.142 7.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.118 -0.625 12.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.556 1.668 8.855 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.375 1.427 11.296 1.00 0.00 H new ATOM 94 N LYS A 7 -9.598 -3.412 5.481 1.00 0.00 N ATOM 95 CA LYS A 7 -10.195 -3.347 4.154 1.00 0.00 C ATOM 96 C LYS A 7 -10.376 -1.901 3.723 1.00 0.00 C ATOM 97 O LYS A 7 -11.043 -1.110 4.392 1.00 0.00 O ATOM 98 CB LYS A 7 -11.536 -4.085 4.132 1.00 0.00 C ATOM 99 CG LYS A 7 -12.304 -3.925 2.827 1.00 0.00 C ATOM 100 CD LYS A 7 -13.671 -3.299 3.054 1.00 0.00 C ATOM 101 CE LYS A 7 -13.554 -1.893 3.622 1.00 0.00 C ATOM 102 NZ LYS A 7 -14.854 -1.167 3.578 1.00 0.00 N ATOM 0 H LYS A 7 -10.161 -2.980 6.213 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.522 -3.835 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.359 -5.146 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.154 -3.722 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.729 -3.305 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.424 -4.899 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.219 -3.267 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.248 -3.922 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.202 -1.946 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.807 -1.335 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.721 -0.196 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.203 -1.139 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.547 -1.659 4.178 1.00 0.00 H new ATOM 116 N VAL A 8 -9.765 -1.563 2.602 1.00 0.00 N ATOM 117 CA VAL A 8 -9.842 -0.218 2.070 1.00 0.00 C ATOM 118 C VAL A 8 -11.269 0.128 1.652 1.00 0.00 C ATOM 119 O VAL A 8 -11.952 -0.677 1.019 1.00 0.00 O ATOM 120 CB VAL A 8 -8.884 -0.051 0.877 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.432 -0.731 -0.371 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.622 1.418 0.623 1.00 0.00 C ATOM 0 H VAL A 8 -9.207 -2.207 2.041 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.542 0.470 2.860 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.940 -0.536 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.733 -0.595 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.563 -1.796 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.393 -0.289 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.943 1.526 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.562 1.922 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.172 1.866 1.509 1.00 0.00 H new ATOM 132 N ASP A 9 -11.717 1.326 2.017 1.00 0.00 N ATOM 133 CA ASP A 9 -13.067 1.767 1.683 1.00 0.00 C ATOM 134 C ASP A 9 -13.080 2.561 0.383 1.00 0.00 C ATOM 135 O ASP A 9 -13.559 2.079 -0.643 1.00 0.00 O ATOM 136 CB ASP A 9 -13.644 2.612 2.820 1.00 0.00 C ATOM 137 CG ASP A 9 -15.064 3.066 2.543 1.00 0.00 C ATOM 138 OD1 ASP A 9 -15.235 4.135 1.922 1.00 0.00 O ATOM 139 OD2 ASP A 9 -16.005 2.351 2.948 1.00 0.00 O ATOM 0 H ASP A 9 -11.167 2.006 2.542 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.687 0.881 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.624 2.034 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.011 3.485 2.977 1.00 0.00 H new ATOM 144 N ARG A 10 -12.550 3.779 0.428 1.00 0.00 N ATOM 145 CA ARG A 10 -12.504 4.628 -0.756 1.00 0.00 C ATOM 146 C ARG A 10 -11.065 4.960 -1.122 1.00 0.00 C ATOM 147 O ARG A 10 -10.148 4.748 -0.329 1.00 0.00 O ATOM 148 CB ARG A 10 -13.304 5.915 -0.536 1.00 0.00 C ATOM 149 CG ARG A 10 -12.997 6.613 0.774 1.00 0.00 C ATOM 150 CD ARG A 10 -14.027 7.686 1.091 1.00 0.00 C ATOM 151 NE ARG A 10 -15.367 7.128 1.273 1.00 0.00 N ATOM 152 CZ ARG A 10 -16.258 6.989 0.292 1.00 0.00 C ATOM 153 NH1 ARG A 10 -15.954 7.346 -0.950 1.00 0.00 N ATOM 154 NH2 ARG A 10 -17.456 6.485 0.554 1.00 0.00 N ATOM 0 H ARG A 10 -12.149 4.198 1.267 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.956 4.078 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.102 6.602 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.368 5.680 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.974 5.880 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.006 7.063 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.730 8.216 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.047 8.418 0.284 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.636 6.826 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.032 7.730 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.642 7.236 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.694 6.204 1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.139 6.378 -0.196 1.00 0.00 H new ATOM 168 N SER A 11 -10.872 5.474 -2.330 1.00 0.00 N ATOM 169 CA SER A 11 -9.539 5.823 -2.799 1.00 0.00 C ATOM 170 C SER A 11 -9.556 7.120 -3.601 1.00 0.00 C ATOM 171 O SER A 11 -10.586 7.512 -4.149 1.00 0.00 O ATOM 172 CB SER A 11 -8.971 4.690 -3.653 1.00 0.00 C ATOM 173 OG SER A 11 -9.662 4.584 -4.886 1.00 0.00 O ATOM 0 H SER A 11 -11.619 5.658 -3.000 1.00 0.00 H new ATOM 0 HA SER A 11 -8.903 5.973 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.912 4.868 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.045 3.748 -3.109 1.00 0.00 H new ATOM 0 HG SER A 11 -9.053 4.243 -5.574 1.00 0.00 H new ATOM 179 N GLU A 12 -8.404 7.776 -3.666 1.00 0.00 N ATOM 180 CA GLU A 12 -8.271 9.026 -4.402 1.00 0.00 C ATOM 181 C GLU A 12 -6.985 9.027 -5.220 1.00 0.00 C ATOM 182 O GLU A 12 -5.896 8.836 -4.680 1.00 0.00 O ATOM 183 CB GLU A 12 -8.280 10.215 -3.440 1.00 0.00 C ATOM 184 CG GLU A 12 -9.670 10.769 -3.171 1.00 0.00 C ATOM 185 CD GLU A 12 -10.175 11.649 -4.298 1.00 0.00 C ATOM 186 OE1 GLU A 12 -10.444 11.114 -5.394 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.301 12.873 -4.085 1.00 0.00 O ATOM 0 H GLU A 12 -7.545 7.461 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.119 9.117 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.830 9.911 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.655 11.008 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.364 9.942 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.655 11.344 -2.245 1.00 0.00 H new ATOM 194 N ASN A 13 -7.115 9.239 -6.525 1.00 0.00 N ATOM 195 CA ASN A 13 -5.967 9.260 -7.414 1.00 0.00 C ATOM 196 C ASN A 13 -5.256 7.905 -7.433 1.00 0.00 C ATOM 197 O ASN A 13 -4.131 7.779 -7.931 1.00 0.00 O ATOM 198 CB ASN A 13 -5.005 10.359 -6.983 1.00 0.00 C ATOM 199 CG ASN A 13 -5.190 11.642 -7.772 1.00 0.00 C ATOM 200 OD1 ASN A 13 -4.221 12.334 -8.086 1.00 0.00 O ATOM 201 ND2 ASN A 13 -6.437 11.970 -8.093 1.00 0.00 N ATOM 0 H ASN A 13 -8.009 9.399 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.317 9.464 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.148 10.566 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.980 10.007 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.620 12.824 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.211 11.368 -7.813 1.00 0.00 H new ATOM 208 N TYR A 14 -5.917 6.878 -6.909 1.00 0.00 N ATOM 209 CA TYR A 14 -5.334 5.548 -6.898 1.00 0.00 C ATOM 210 C TYR A 14 -4.983 5.146 -8.326 1.00 0.00 C ATOM 211 O TYR A 14 -3.856 4.743 -8.611 1.00 0.00 O ATOM 212 CB TYR A 14 -6.301 4.543 -6.270 1.00 0.00 C ATOM 213 CG TYR A 14 -5.613 3.370 -5.607 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.547 2.732 -6.223 1.00 0.00 C ATOM 215 CD2 TYR A 14 -6.033 2.897 -4.369 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.918 1.657 -5.628 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.407 1.823 -3.767 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.350 1.207 -4.400 1.00 0.00 C ATOM 219 OH TYR A 14 -3.725 0.135 -3.804 1.00 0.00 O ATOM 0 H TYR A 14 -6.846 6.942 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.426 5.554 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.916 5.057 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.974 4.169 -7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.203 3.082 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.862 3.377 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.091 1.171 -6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.745 1.468 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.068 -0.699 -4.188 1.00 0.00 H new ATOM 229 N ASP A 15 -5.950 5.306 -9.228 1.00 0.00 N ATOM 230 CA ASP A 15 -5.742 5.003 -10.640 1.00 0.00 C ATOM 231 C ASP A 15 -4.466 5.680 -11.131 1.00 0.00 C ATOM 232 O ASP A 15 -3.751 5.157 -11.984 1.00 0.00 O ATOM 233 CB ASP A 15 -6.931 5.495 -11.464 1.00 0.00 C ATOM 234 CG ASP A 15 -8.218 4.773 -11.113 1.00 0.00 C ATOM 235 OD1 ASP A 15 -8.606 4.795 -9.926 1.00 0.00 O ATOM 236 OD2 ASP A 15 -8.837 4.187 -12.025 1.00 0.00 O ATOM 0 H ASP A 15 -6.886 5.644 -9.004 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.648 3.923 -10.758 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.063 6.565 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.717 5.356 -12.524 1.00 0.00 H new ATOM 241 N LYS A 16 -4.190 6.850 -10.563 1.00 0.00 N ATOM 242 CA LYS A 16 -3.003 7.622 -10.906 1.00 0.00 C ATOM 243 C LYS A 16 -1.760 6.764 -10.792 1.00 0.00 C ATOM 244 O LYS A 16 -0.857 6.835 -11.626 1.00 0.00 O ATOM 245 CB LYS A 16 -2.887 8.824 -9.970 1.00 0.00 C ATOM 246 CG LYS A 16 -2.188 10.020 -10.581 1.00 0.00 C ATOM 247 CD LYS A 16 -3.160 11.158 -10.815 1.00 0.00 C ATOM 248 CE LYS A 16 -2.770 11.989 -12.026 1.00 0.00 C ATOM 249 NZ LYS A 16 -1.590 12.854 -11.750 1.00 0.00 N ATOM 0 H LYS A 16 -4.781 7.287 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.094 7.967 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.887 9.123 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.347 8.521 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.386 10.352 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.726 9.732 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.163 10.756 -10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.194 11.796 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.547 11.328 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.613 12.611 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.356 13.404 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.811 13.503 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.778 12.260 -11.488 1.00 0.00 H new ATOM 263 N PHE A 17 -1.720 5.962 -9.745 1.00 0.00 N ATOM 264 CA PHE A 17 -0.581 5.092 -9.504 1.00 0.00 C ATOM 265 C PHE A 17 -0.551 3.939 -10.495 1.00 0.00 C ATOM 266 O PHE A 17 0.508 3.388 -10.786 1.00 0.00 O ATOM 267 CB PHE A 17 -0.602 4.600 -8.057 1.00 0.00 C ATOM 268 CG PHE A 17 -0.219 5.689 -7.105 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.699 6.976 -7.309 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.633 5.451 -6.035 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.342 8.006 -6.477 1.00 0.00 C ATOM 272 CE2 PHE A 17 0.992 6.484 -5.190 1.00 0.00 C ATOM 273 CZ PHE A 17 0.505 7.763 -5.413 1.00 0.00 C ATOM 0 H PHE A 17 -2.461 5.894 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 17 0.337 5.660 -9.656 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.598 4.233 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.084 3.760 -7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.365 7.169 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.016 4.456 -5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.721 9.002 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.652 6.295 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.788 8.570 -4.754 1.00 0.00 H new ATOM 283 N MET A 18 -1.712 3.586 -11.027 1.00 0.00 N ATOM 284 CA MET A 18 -1.804 2.514 -11.997 1.00 0.00 C ATOM 285 C MET A 18 -1.169 2.921 -13.326 1.00 0.00 C ATOM 286 O MET A 18 -0.671 2.073 -14.068 1.00 0.00 O ATOM 287 CB MET A 18 -3.269 2.139 -12.223 1.00 0.00 C ATOM 288 CG MET A 18 -3.870 1.306 -11.107 1.00 0.00 C ATOM 289 SD MET A 18 -3.687 2.052 -9.479 1.00 0.00 S ATOM 290 CE MET A 18 -2.715 0.802 -8.642 1.00 0.00 C ATOM 0 H MET A 18 -2.602 4.029 -10.801 1.00 0.00 H new ATOM 0 HA MET A 18 -1.262 1.654 -11.604 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.854 3.052 -12.337 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.352 1.588 -13.160 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.930 1.151 -11.310 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.399 0.323 -11.103 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.153 1.262 -7.829 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.377 0.036 -8.238 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.022 0.346 -9.349 1.00 0.00 H new ATOM 300 N GLU A 19 -1.210 4.217 -13.640 1.00 0.00 N ATOM 301 CA GLU A 19 -0.662 4.703 -14.905 1.00 0.00 C ATOM 302 C GLU A 19 0.837 5.005 -14.831 1.00 0.00 C ATOM 303 O GLU A 19 1.626 4.413 -15.567 1.00 0.00 O ATOM 304 CB GLU A 19 -1.418 5.953 -15.357 1.00 0.00 C ATOM 305 CG GLU A 19 -2.929 5.794 -15.326 1.00 0.00 C ATOM 306 CD GLU A 19 -3.418 4.686 -16.237 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.503 3.530 -15.773 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.716 4.974 -17.416 1.00 0.00 O ATOM 0 H GLU A 19 -1.612 4.940 -13.043 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.791 3.901 -15.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.136 6.789 -14.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.108 6.208 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.248 5.586 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.396 6.734 -15.621 1.00 0.00 H new ATOM 315 N LYS A 20 1.231 5.935 -13.962 1.00 0.00 N ATOM 316 CA LYS A 20 2.636 6.303 -13.838 1.00 0.00 C ATOM 317 C LYS A 20 3.501 5.089 -13.518 1.00 0.00 C ATOM 318 O LYS A 20 4.535 4.873 -14.150 1.00 0.00 O ATOM 319 CB LYS A 20 2.809 7.376 -12.771 1.00 0.00 C ATOM 320 CG LYS A 20 4.203 7.974 -12.747 1.00 0.00 C ATOM 321 CD LYS A 20 4.228 9.399 -13.280 1.00 0.00 C ATOM 322 CE LYS A 20 5.620 9.777 -13.755 1.00 0.00 C ATOM 323 NZ LYS A 20 5.928 9.200 -15.093 1.00 0.00 N ATOM 0 H LYS A 20 0.602 6.442 -13.340 1.00 0.00 H new ATOM 0 HA LYS A 20 2.965 6.703 -14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.083 8.170 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.588 6.947 -11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.583 7.964 -11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.873 7.354 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.520 9.496 -14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.906 10.089 -12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.706 10.863 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.357 9.429 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.852 9.550 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.955 8.163 -15.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.192 9.484 -15.771 1.00 0.00 H new ATOM 337 N MET A 21 3.073 4.290 -12.545 1.00 0.00 N ATOM 338 CA MET A 21 3.819 3.095 -12.171 1.00 0.00 C ATOM 339 C MET A 21 3.822 2.096 -13.320 1.00 0.00 C ATOM 340 O MET A 21 4.834 1.450 -13.594 1.00 0.00 O ATOM 341 CB MET A 21 3.220 2.445 -10.922 1.00 0.00 C ATOM 342 CG MET A 21 3.243 3.337 -9.692 1.00 0.00 C ATOM 343 SD MET A 21 3.502 2.410 -8.166 1.00 0.00 S ATOM 344 CE MET A 21 2.502 0.953 -8.464 1.00 0.00 C ATOM 0 H MET A 21 2.221 4.447 -12.006 1.00 0.00 H new ATOM 0 HA MET A 21 4.844 3.392 -11.949 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.189 2.159 -11.132 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.767 1.528 -10.704 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.034 4.079 -9.801 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.302 3.882 -9.626 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.257 0.480 -7.513 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.583 1.241 -8.974 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.058 0.251 -9.086 1.00 0.00 H new ATOM 354 N GLY A 22 2.679 1.975 -13.990 1.00 0.00 N ATOM 355 CA GLY A 22 2.568 1.055 -15.103 1.00 0.00 C ATOM 356 C GLY A 22 2.111 -0.323 -14.671 1.00 0.00 C ATOM 357 O GLY A 22 2.772 -1.321 -14.958 1.00 0.00 O ATOM 0 H GLY A 22 1.829 2.499 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.865 1.456 -15.833 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.534 0.975 -15.602 1.00 0.00 H new ATOM 361 N VAL A 23 0.975 -0.381 -13.983 1.00 0.00 N ATOM 362 CA VAL A 23 0.437 -1.655 -13.521 1.00 0.00 C ATOM 363 C VAL A 23 -0.611 -2.183 -14.495 1.00 0.00 C ATOM 364 O VAL A 23 -1.213 -1.417 -15.248 1.00 0.00 O ATOM 365 CB VAL A 23 -0.188 -1.545 -12.112 1.00 0.00 C ATOM 366 CG1 VAL A 23 0.807 -0.966 -11.116 1.00 0.00 C ATOM 367 CG2 VAL A 23 -1.455 -0.708 -12.145 1.00 0.00 C ATOM 0 H VAL A 23 0.413 0.433 -13.735 1.00 0.00 H new ATOM 0 HA VAL A 23 1.275 -2.350 -13.470 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.450 -2.551 -11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.341 -0.900 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.683 -1.612 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.110 0.029 -11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.876 -0.645 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.220 0.294 -12.503 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.180 -1.171 -12.814 1.00 0.00 H new ATOM 377 N ASN A 24 -0.826 -3.492 -14.477 1.00 0.00 N ATOM 378 CA ASN A 24 -1.804 -4.114 -15.361 1.00 0.00 C ATOM 379 C ASN A 24 -3.212 -3.972 -14.796 1.00 0.00 C ATOM 380 O ASN A 24 -3.421 -3.291 -13.795 1.00 0.00 O ATOM 381 CB ASN A 24 -1.469 -5.592 -15.574 1.00 0.00 C ATOM 382 CG ASN A 24 -0.935 -5.869 -16.965 1.00 0.00 C ATOM 383 OD1 ASN A 24 -1.694 -6.182 -17.883 1.00 0.00 O ATOM 384 ND2 ASN A 24 0.378 -5.754 -17.129 1.00 0.00 N ATOM 0 H ASN A 24 -0.338 -4.143 -13.862 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.765 -3.602 -16.323 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.731 -5.904 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.363 -6.192 -15.405 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.795 -5.927 -18.044 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.969 -5.492 -16.340 1.00 0.00 H new ATOM 391 N ILE A 25 -4.172 -4.618 -15.445 1.00 0.00 N ATOM 392 CA ILE A 25 -5.563 -4.562 -15.008 1.00 0.00 C ATOM 393 C ILE A 25 -5.872 -5.664 -14.001 1.00 0.00 C ATOM 394 O ILE A 25 -6.608 -5.452 -13.037 1.00 0.00 O ATOM 395 CB ILE A 25 -6.530 -4.683 -16.202 1.00 0.00 C ATOM 396 CG1 ILE A 25 -7.982 -4.521 -15.742 1.00 0.00 C ATOM 397 CG2 ILE A 25 -6.341 -6.018 -16.910 1.00 0.00 C ATOM 398 CD1 ILE A 25 -8.187 -3.428 -14.713 1.00 0.00 C ATOM 0 H ILE A 25 -4.014 -5.187 -16.276 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.705 -3.593 -14.530 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.303 -3.883 -16.907 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.605 -4.309 -16.611 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.327 -5.467 -15.325 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.032 -6.085 -17.750 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.317 -6.094 -17.276 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.538 -6.831 -16.212 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.241 -3.378 -14.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.593 -3.647 -13.826 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.875 -2.471 -15.131 1.00 0.00 H new ATOM 410 N VAL A 26 -5.307 -6.841 -14.238 1.00 0.00 N ATOM 411 CA VAL A 26 -5.517 -7.991 -13.362 1.00 0.00 C ATOM 412 C VAL A 26 -5.244 -7.640 -11.904 1.00 0.00 C ATOM 413 O VAL A 26 -6.027 -7.981 -11.017 1.00 0.00 O ATOM 414 CB VAL A 26 -4.620 -9.177 -13.768 1.00 0.00 C ATOM 415 CG1 VAL A 26 -4.991 -10.423 -12.977 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.718 -9.435 -15.266 1.00 0.00 C ATOM 0 H VAL A 26 -4.696 -7.027 -15.034 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.563 -8.278 -13.470 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.586 -8.923 -13.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.347 -11.250 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.861 -10.230 -11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.031 -10.683 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.078 -10.276 -15.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.750 -9.667 -15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.396 -8.547 -15.810 1.00 0.00 H new ATOM 426 N LYS A 27 -4.134 -6.954 -11.662 1.00 0.00 N ATOM 427 CA LYS A 27 -3.765 -6.554 -10.310 1.00 0.00 C ATOM 428 C LYS A 27 -4.506 -5.284 -9.914 1.00 0.00 C ATOM 429 O LYS A 27 -4.859 -5.093 -8.751 1.00 0.00 O ATOM 430 CB LYS A 27 -2.255 -6.333 -10.212 1.00 0.00 C ATOM 431 CG LYS A 27 -1.731 -6.334 -8.785 1.00 0.00 C ATOM 432 CD LYS A 27 -0.345 -6.953 -8.701 1.00 0.00 C ATOM 433 CE LYS A 27 -0.409 -8.401 -8.242 1.00 0.00 C ATOM 434 NZ LYS A 27 -0.936 -9.299 -9.307 1.00 0.00 N ATOM 0 H LYS A 27 -3.474 -6.663 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.046 -7.354 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.745 -7.112 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.004 -5.382 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.698 -5.312 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.417 -6.888 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.138 -6.900 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.270 -6.378 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.587 -8.733 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.044 -8.474 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.964 -10.277 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.896 -8.999 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.317 -9.249 -10.141 1.00 0.00 H new ATOM 448 N ARG A 28 -4.739 -4.422 -10.896 1.00 0.00 N ATOM 449 CA ARG A 28 -5.440 -3.166 -10.667 1.00 0.00 C ATOM 450 C ARG A 28 -6.884 -3.420 -10.246 1.00 0.00 C ATOM 451 O ARG A 28 -7.454 -2.662 -9.463 1.00 0.00 O ATOM 452 CB ARG A 28 -5.400 -2.313 -11.937 1.00 0.00 C ATOM 453 CG ARG A 28 -5.928 -0.908 -11.758 1.00 0.00 C ATOM 454 CD ARG A 28 -7.424 -0.835 -11.955 1.00 0.00 C ATOM 455 NE ARG A 28 -7.783 -0.433 -13.312 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.552 0.779 -13.812 1.00 0.00 C ATOM 457 NH1 ARG A 28 -6.967 1.711 -13.069 1.00 0.00 N ATOM 458 NH2 ARG A 28 -7.909 1.062 -15.057 1.00 0.00 N ATOM 0 H ARG A 28 -4.451 -4.572 -11.863 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.941 -2.630 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.371 -2.260 -12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.980 -2.811 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.676 -0.551 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.436 -0.243 -12.468 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.865 -1.808 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.848 -0.126 -11.244 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.237 -1.121 -13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.692 1.500 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.793 2.638 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.361 0.351 -15.632 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.732 1.991 -15.440 1.00 0.00 H new ATOM 472 N LYS A 29 -7.472 -4.489 -10.775 1.00 0.00 N ATOM 473 CA LYS A 29 -8.850 -4.842 -10.458 1.00 0.00 C ATOM 474 C LYS A 29 -9.058 -4.964 -8.951 1.00 0.00 C ATOM 475 O LYS A 29 -10.067 -4.504 -8.415 1.00 0.00 O ATOM 476 CB LYS A 29 -9.224 -6.154 -11.144 1.00 0.00 C ATOM 477 CG LYS A 29 -9.892 -5.954 -12.492 1.00 0.00 C ATOM 478 CD LYS A 29 -9.328 -6.894 -13.543 1.00 0.00 C ATOM 479 CE LYS A 29 -9.718 -8.337 -13.268 1.00 0.00 C ATOM 480 NZ LYS A 29 -11.171 -8.573 -13.491 1.00 0.00 N ATOM 0 H LYS A 29 -7.014 -5.126 -11.426 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.496 -4.044 -10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.325 -6.756 -11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.893 -6.719 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.965 -6.119 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.756 -4.922 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.691 -6.600 -14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.242 -6.808 -13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.140 -8.998 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.463 -8.592 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.360 -9.596 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.717 -8.121 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.452 -8.167 -14.406 1.00 0.00 H new ATOM 494 N LEU A 30 -8.102 -5.590 -8.273 1.00 0.00 N ATOM 495 CA LEU A 30 -8.185 -5.776 -6.830 1.00 0.00 C ATOM 496 C LEU A 30 -7.305 -4.768 -6.093 1.00 0.00 C ATOM 497 O LEU A 30 -7.434 -4.588 -4.882 1.00 0.00 O ATOM 498 CB LEU A 30 -7.766 -7.201 -6.460 1.00 0.00 C ATOM 499 CG LEU A 30 -8.218 -8.287 -7.440 1.00 0.00 C ATOM 500 CD1 LEU A 30 -7.267 -9.474 -7.401 1.00 0.00 C ATOM 501 CD2 LEU A 30 -9.640 -8.728 -7.126 1.00 0.00 C ATOM 0 H LEU A 30 -7.261 -5.977 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.219 -5.612 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.679 -7.234 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.165 -7.435 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.201 -7.870 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.606 -10.235 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.264 -9.146 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.249 -9.893 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.946 -9.500 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.682 -9.126 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.312 -7.874 -7.209 1.00 0.00 H new ATOM 513 N ALA A 31 -6.405 -4.120 -6.825 1.00 0.00 N ATOM 514 CA ALA A 31 -5.503 -3.141 -6.235 1.00 0.00 C ATOM 515 C ALA A 31 -6.052 -1.720 -6.340 1.00 0.00 C ATOM 516 O ALA A 31 -5.569 -0.815 -5.664 1.00 0.00 O ATOM 517 CB ALA A 31 -4.140 -3.221 -6.904 1.00 0.00 C ATOM 0 H ALA A 31 -6.282 -4.256 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.407 -3.379 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.471 -2.485 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.725 -4.220 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.245 -3.016 -7.969 1.00 0.00 H new ATOM 523 N ALA A 32 -7.045 -1.520 -7.202 1.00 0.00 N ATOM 524 CA ALA A 32 -7.621 -0.194 -7.394 1.00 0.00 C ATOM 525 C ALA A 32 -8.198 0.377 -6.101 1.00 0.00 C ATOM 526 O ALA A 32 -7.902 1.516 -5.744 1.00 0.00 O ATOM 527 CB ALA A 32 -8.691 -0.238 -8.472 1.00 0.00 C ATOM 0 H ALA A 32 -7.464 -2.253 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.815 0.468 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.114 0.758 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.249 -0.574 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.479 -0.929 -8.174 1.00 0.00 H new ATOM 533 N HIS A 33 -9.015 -0.415 -5.401 1.00 0.00 N ATOM 534 CA HIS A 33 -9.631 0.020 -4.140 1.00 0.00 C ATOM 535 C HIS A 33 -10.858 -0.822 -3.801 1.00 0.00 C ATOM 536 O HIS A 33 -11.050 -1.229 -2.655 1.00 0.00 O ATOM 537 CB HIS A 33 -10.051 1.493 -4.203 1.00 0.00 C ATOM 538 CG HIS A 33 -10.879 1.831 -5.404 1.00 0.00 C ATOM 539 ND1 HIS A 33 -10.516 2.179 -6.661 1.00 0.00 N flip ATOM 540 CD2 HIS A 33 -12.258 1.835 -5.391 1.00 0.00 C flip ATOM 541 CE1 HIS A 33 -11.671 2.384 -7.376 1.00 0.00 C flip ATOM 542 NE2 HIS A 33 -12.707 2.169 -6.587 1.00 0.00 N flip ATOM 0 H HIS A 33 -9.267 -1.362 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.876 -0.110 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.614 1.740 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.157 2.117 -4.201 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.875 1.601 -4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.723 2.674 -8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.688 2.248 -6.856 1.00 0.00 H new ATOM 551 N ASP A 34 -11.696 -1.059 -4.805 1.00 0.00 N ATOM 552 CA ASP A 34 -12.923 -1.828 -4.625 1.00 0.00 C ATOM 553 C ASP A 34 -12.658 -3.171 -3.956 1.00 0.00 C ATOM 554 O ASP A 34 -13.226 -3.473 -2.906 1.00 0.00 O ATOM 555 CB ASP A 34 -13.610 -2.049 -5.974 1.00 0.00 C ATOM 556 CG ASP A 34 -14.566 -0.926 -6.326 1.00 0.00 C ATOM 557 OD1 ASP A 34 -15.674 -0.888 -5.753 1.00 0.00 O ATOM 558 OD2 ASP A 34 -14.206 -0.085 -7.177 1.00 0.00 O ATOM 0 H ASP A 34 -11.546 -0.727 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.577 -1.251 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.854 -2.137 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.155 -2.993 -5.951 1.00 0.00 H new ATOM 563 N ASN A 35 -11.804 -3.980 -4.570 1.00 0.00 N ATOM 564 CA ASN A 35 -11.484 -5.290 -4.031 1.00 0.00 C ATOM 565 C ASN A 35 -10.046 -5.347 -3.531 1.00 0.00 C ATOM 566 O ASN A 35 -9.213 -6.062 -4.088 1.00 0.00 O ATOM 567 CB ASN A 35 -11.719 -6.375 -5.085 1.00 0.00 C ATOM 568 CG ASN A 35 -13.047 -6.211 -5.800 1.00 0.00 C ATOM 569 OD1 ASN A 35 -14.106 -6.480 -5.234 1.00 0.00 O ATOM 570 ND2 ASN A 35 -12.995 -5.767 -7.050 1.00 0.00 N ATOM 0 H ASN A 35 -11.323 -3.750 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.145 -5.471 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.911 -6.349 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.685 -7.354 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.856 -5.636 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.094 -5.557 -7.479 1.00 0.00 H new ATOM 577 N LEU A 36 -9.760 -4.594 -2.475 1.00 0.00 N ATOM 578 CA LEU A 36 -8.421 -4.564 -1.902 1.00 0.00 C ATOM 579 C LEU A 36 -8.461 -4.817 -0.398 1.00 0.00 C ATOM 580 O LEU A 36 -9.175 -4.137 0.339 1.00 0.00 O ATOM 581 CB LEU A 36 -7.750 -3.219 -2.188 1.00 0.00 C ATOM 582 CG LEU A 36 -6.352 -3.053 -1.591 1.00 0.00 C ATOM 583 CD1 LEU A 36 -5.449 -4.199 -2.018 1.00 0.00 C ATOM 584 CD2 LEU A 36 -5.753 -1.717 -2.006 1.00 0.00 C ATOM 0 H LEU A 36 -10.437 -3.997 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.839 -5.359 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.686 -3.085 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.389 -2.423 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.436 -3.071 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.459 -4.063 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.871 -5.143 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.369 -4.214 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.758 -1.614 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.682 -1.672 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.389 -0.907 -1.650 1.00 0.00 H new ATOM 596 N LYS A 37 -7.680 -5.794 0.047 1.00 0.00 N ATOM 597 CA LYS A 37 -7.607 -6.141 1.459 1.00 0.00 C ATOM 598 C LYS A 37 -6.196 -5.928 1.970 1.00 0.00 C ATOM 599 O LYS A 37 -5.247 -6.563 1.516 1.00 0.00 O ATOM 600 CB LYS A 37 -8.043 -7.591 1.681 1.00 0.00 C ATOM 601 CG LYS A 37 -7.721 -8.130 3.068 1.00 0.00 C ATOM 602 CD LYS A 37 -8.377 -7.298 4.157 1.00 0.00 C ATOM 603 CE LYS A 37 -9.749 -7.841 4.521 1.00 0.00 C ATOM 604 NZ LYS A 37 -10.598 -8.057 3.317 1.00 0.00 N ATOM 0 H LYS A 37 -7.085 -6.363 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.286 -5.493 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.118 -7.666 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.560 -8.223 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.059 -9.163 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.641 -8.136 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.741 -7.289 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.470 -6.265 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.636 -8.782 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.247 -7.146 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.577 -8.247 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.576 -7.206 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.235 -8.869 2.778 1.00 0.00 H new ATOM 618 N LEU A 38 -6.077 -5.018 2.914 1.00 0.00 N ATOM 619 CA LEU A 38 -4.799 -4.684 3.509 1.00 0.00 C ATOM 620 C LEU A 38 -4.748 -5.228 4.933 1.00 0.00 C ATOM 621 O LEU A 38 -5.504 -4.794 5.790 1.00 0.00 O ATOM 622 CB LEU A 38 -4.635 -3.157 3.481 1.00 0.00 C ATOM 623 CG LEU A 38 -3.209 -2.606 3.239 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.314 -3.626 2.546 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.261 -1.324 2.413 1.00 0.00 C ATOM 0 H LEU A 38 -6.863 -4.489 3.291 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.978 -5.134 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.287 -2.761 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.994 -2.761 4.431 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.780 -2.390 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.323 -3.198 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.233 -4.519 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.745 -3.892 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.249 -0.952 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.727 -1.530 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.844 -0.572 2.945 1.00 0.00 H new ATOM 637 N THR A 39 -3.885 -6.207 5.178 1.00 0.00 N ATOM 638 CA THR A 39 -3.791 -6.812 6.506 1.00 0.00 C ATOM 639 C THR A 39 -2.537 -6.367 7.250 1.00 0.00 C ATOM 640 O THR A 39 -1.527 -6.013 6.641 1.00 0.00 O ATOM 641 CB THR A 39 -3.817 -8.337 6.400 1.00 0.00 C ATOM 642 OG1 THR A 39 -4.943 -8.770 5.658 1.00 0.00 O ATOM 643 CG2 THR A 39 -3.861 -9.029 7.746 1.00 0.00 C ATOM 0 H THR A 39 -3.246 -6.597 4.485 1.00 0.00 H new ATOM 0 HA THR A 39 -4.655 -6.472 7.077 1.00 0.00 H new ATOM 0 HB THR A 39 -2.887 -8.607 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.679 -8.932 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.878 -10.109 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.979 -8.755 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.758 -8.722 8.284 1.00 0.00 H new ATOM 651 N ILE A 40 -2.617 -6.400 8.577 1.00 0.00 N ATOM 652 CA ILE A 40 -1.503 -6.014 9.433 1.00 0.00 C ATOM 653 C ILE A 40 -1.270 -7.063 10.516 1.00 0.00 C ATOM 654 O ILE A 40 -2.220 -7.569 11.115 1.00 0.00 O ATOM 655 CB ILE A 40 -1.756 -4.651 10.108 1.00 0.00 C ATOM 656 CG1 ILE A 40 -2.135 -3.595 9.067 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.529 -4.208 10.894 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.608 -2.292 9.673 1.00 0.00 C ATOM 0 H ILE A 40 -3.451 -6.693 9.086 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.621 -5.936 8.797 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.589 -4.763 10.802 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.273 -3.398 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.921 -3.994 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.726 -3.244 11.363 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.303 -4.947 11.663 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.322 -4.116 10.219 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.859 -1.591 8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.490 -2.475 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.816 -1.870 10.292 1.00 0.00 H new ATOM 670 N THR A 41 -0.006 -7.387 10.767 1.00 0.00 N ATOM 671 CA THR A 41 0.339 -8.376 11.782 1.00 0.00 C ATOM 672 C THR A 41 1.429 -7.849 12.708 1.00 0.00 C ATOM 673 O THR A 41 2.120 -6.883 12.383 1.00 0.00 O ATOM 674 CB THR A 41 0.797 -9.677 11.124 1.00 0.00 C ATOM 675 OG1 THR A 41 0.084 -9.908 9.922 1.00 0.00 O ATOM 676 CG2 THR A 41 0.613 -10.892 12.007 1.00 0.00 C ATOM 0 H THR A 41 0.795 -6.981 10.283 1.00 0.00 H new ATOM 0 HA THR A 41 -0.553 -8.574 12.377 1.00 0.00 H new ATOM 0 HB THR A 41 1.862 -9.545 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.386 -9.277 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.958 -11.781 11.479 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.191 -10.767 12.923 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.442 -11.004 12.256 1.00 0.00 H new ATOM 684 N GLN A 42 1.575 -8.486 13.866 1.00 0.00 N ATOM 685 CA GLN A 42 2.578 -8.078 14.842 1.00 0.00 C ATOM 686 C GLN A 42 3.695 -9.112 14.952 1.00 0.00 C ATOM 687 O GLN A 42 3.441 -10.301 15.139 1.00 0.00 O ATOM 688 CB GLN A 42 1.929 -7.867 16.211 1.00 0.00 C ATOM 689 CG GLN A 42 2.731 -6.960 17.130 1.00 0.00 C ATOM 690 CD GLN A 42 2.385 -7.161 18.593 1.00 0.00 C ATOM 691 OE1 GLN A 42 1.424 -6.583 19.101 1.00 0.00 O ATOM 692 NE2 GLN A 42 3.170 -7.984 19.279 1.00 0.00 N ATOM 0 H GLN A 42 1.011 -9.287 14.151 1.00 0.00 H new ATOM 0 HA GLN A 42 3.014 -7.139 14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.935 -7.442 16.071 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.797 -8.835 16.694 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.795 -7.148 16.983 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.550 -5.920 16.857 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.956 -8.442 18.818 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.987 -8.158 20.267 1.00 0.00 H new ATOM 701 N GLU A 43 4.934 -8.643 14.840 1.00 0.00 N ATOM 702 CA GLU A 43 6.100 -9.516 14.931 1.00 0.00 C ATOM 703 C GLU A 43 7.342 -8.708 15.283 1.00 0.00 C ATOM 704 O GLU A 43 8.048 -8.219 14.402 1.00 0.00 O ATOM 705 CB GLU A 43 6.323 -10.254 13.612 1.00 0.00 C ATOM 706 CG GLU A 43 5.609 -11.593 13.533 1.00 0.00 C ATOM 707 CD GLU A 43 5.961 -12.511 14.688 1.00 0.00 C ATOM 708 OE1 GLU A 43 5.303 -12.414 15.745 1.00 0.00 O ATOM 709 OE2 GLU A 43 6.895 -13.326 14.535 1.00 0.00 O ATOM 0 H GLU A 43 5.157 -7.660 14.686 1.00 0.00 H new ATOM 0 HA GLU A 43 5.916 -10.247 15.718 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.984 -9.623 12.791 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.392 -10.413 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.532 -11.426 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.866 -12.082 12.593 1.00 0.00 H new ATOM 716 N GLY A 44 7.601 -8.564 16.577 1.00 0.00 N ATOM 717 CA GLY A 44 8.756 -7.802 17.019 1.00 0.00 C ATOM 718 C GLY A 44 8.775 -6.407 16.420 1.00 0.00 C ATOM 719 O GLY A 44 7.747 -5.730 16.395 1.00 0.00 O ATOM 0 H GLY A 44 7.034 -8.960 17.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.749 -7.730 18.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.668 -8.330 16.740 1.00 0.00 H new ATOM 723 N ASN A 45 9.930 -5.974 15.919 1.00 0.00 N ATOM 724 CA ASN A 45 10.036 -4.654 15.304 1.00 0.00 C ATOM 725 C ASN A 45 9.568 -4.694 13.855 1.00 0.00 C ATOM 726 O ASN A 45 9.712 -3.715 13.123 1.00 0.00 O ATOM 727 CB ASN A 45 11.473 -4.127 15.357 1.00 0.00 C ATOM 728 CG ASN A 45 12.515 -5.218 15.199 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.711 -5.753 14.108 1.00 0.00 O ATOM 730 ND2 ASN A 45 13.190 -5.555 16.292 1.00 0.00 N ATOM 0 H ASN A 45 10.797 -6.512 15.926 1.00 0.00 H new ATOM 0 HA ASN A 45 9.395 -3.981 15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.611 -3.385 14.570 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.631 -3.617 16.307 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.903 -6.283 16.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.996 -5.086 17.176 1.00 0.00 H new ATOM 737 N LYS A 46 9.017 -5.831 13.436 1.00 0.00 N ATOM 738 CA LYS A 46 8.548 -5.975 12.066 1.00 0.00 C ATOM 739 C LYS A 46 7.075 -6.361 12.007 1.00 0.00 C ATOM 740 O LYS A 46 6.543 -7.007 12.909 1.00 0.00 O ATOM 741 CB LYS A 46 9.410 -7.003 11.310 1.00 0.00 C ATOM 742 CG LYS A 46 8.718 -8.336 11.037 1.00 0.00 C ATOM 743 CD LYS A 46 9.476 -9.170 10.016 1.00 0.00 C ATOM 744 CE LYS A 46 10.917 -9.406 10.437 1.00 0.00 C ATOM 745 NZ LYS A 46 11.024 -9.776 11.875 1.00 0.00 N ATOM 0 H LYS A 46 8.887 -6.656 14.021 1.00 0.00 H new ATOM 0 HA LYS A 46 8.648 -5.005 11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.720 -6.568 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.316 -7.191 11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.628 -8.896 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.706 -8.152 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.974 -10.129 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.458 -8.666 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.348 -10.199 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.502 -8.505 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.869 -10.365 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.101 -8.913 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.177 -10.308 12.160 1.00 0.00 H new ATOM 759 N PHE A 47 6.434 -5.965 10.916 1.00 0.00 N ATOM 760 CA PHE A 47 5.030 -6.265 10.689 1.00 0.00 C ATOM 761 C PHE A 47 4.875 -7.241 9.528 1.00 0.00 C ATOM 762 O PHE A 47 5.815 -7.468 8.769 1.00 0.00 O ATOM 763 CB PHE A 47 4.265 -4.981 10.379 1.00 0.00 C ATOM 764 CG PHE A 47 4.418 -3.921 11.429 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.026 -4.157 12.737 1.00 0.00 C ATOM 766 CD2 PHE A 47 4.958 -2.687 11.108 1.00 0.00 C ATOM 767 CE1 PHE A 47 4.170 -3.180 13.703 1.00 0.00 C ATOM 768 CE2 PHE A 47 5.103 -1.708 12.070 1.00 0.00 C ATOM 769 CZ PHE A 47 4.708 -1.954 13.369 1.00 0.00 C ATOM 0 H PHE A 47 6.872 -5.429 10.167 1.00 0.00 H new ATOM 0 HA PHE A 47 4.624 -6.720 11.592 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.608 -4.586 9.423 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.207 -5.217 10.265 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.604 -5.114 13.004 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.269 -2.488 10.093 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.862 -3.376 14.719 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.525 -0.750 11.806 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.820 -1.189 14.123 1.00 0.00 H new ATOM 779 N THR A 48 3.681 -7.803 9.386 1.00 0.00 N ATOM 780 CA THR A 48 3.404 -8.740 8.304 1.00 0.00 C ATOM 781 C THR A 48 2.203 -8.263 7.494 1.00 0.00 C ATOM 782 O THR A 48 1.103 -8.116 8.027 1.00 0.00 O ATOM 783 CB THR A 48 3.140 -10.140 8.859 1.00 0.00 C ATOM 784 OG1 THR A 48 3.807 -10.323 10.096 1.00 0.00 O ATOM 785 CG2 THR A 48 3.588 -11.247 7.929 1.00 0.00 C ATOM 0 H THR A 48 2.890 -7.627 10.005 1.00 0.00 H new ATOM 0 HA THR A 48 4.277 -8.785 7.653 1.00 0.00 H new ATOM 0 HB THR A 48 2.059 -10.204 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.625 -11.224 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.372 -12.214 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.056 -11.164 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.660 -11.161 7.751 1.00 0.00 H new ATOM 793 N VAL A 49 2.421 -8.010 6.209 1.00 0.00 N ATOM 794 CA VAL A 49 1.353 -7.536 5.338 1.00 0.00 C ATOM 795 C VAL A 49 0.703 -8.680 4.572 1.00 0.00 C ATOM 796 O VAL A 49 1.358 -9.374 3.794 1.00 0.00 O ATOM 797 CB VAL A 49 1.867 -6.493 4.329 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.709 -5.866 3.569 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.688 -5.428 5.036 1.00 0.00 C ATOM 0 H VAL A 49 3.324 -8.125 5.749 1.00 0.00 H new ATOM 0 HA VAL A 49 0.611 -7.073 5.989 1.00 0.00 H new ATOM 0 HB VAL A 49 2.511 -6.998 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.093 -5.132 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.166 -6.641 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.036 -5.375 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.043 -4.699 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.069 -4.926 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.541 -5.894 5.529 1.00 0.00 H new ATOM 809 N LYS A 50 -0.594 -8.858 4.787 1.00 0.00 N ATOM 810 CA LYS A 50 -1.347 -9.903 4.107 1.00 0.00 C ATOM 811 C LYS A 50 -2.430 -9.283 3.232 1.00 0.00 C ATOM 812 O LYS A 50 -3.390 -8.701 3.735 1.00 0.00 O ATOM 813 CB LYS A 50 -1.973 -10.859 5.126 1.00 0.00 C ATOM 814 CG LYS A 50 -1.256 -12.196 5.226 1.00 0.00 C ATOM 815 CD LYS A 50 -1.951 -13.129 6.204 1.00 0.00 C ATOM 816 CE LYS A 50 -1.543 -12.837 7.639 1.00 0.00 C ATOM 817 NZ LYS A 50 -0.090 -13.079 7.863 1.00 0.00 N ATOM 0 H LYS A 50 -1.147 -8.290 5.429 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.664 -10.470 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.974 -10.382 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.014 -11.034 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.216 -12.663 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.226 -12.035 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.031 -13.024 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.707 -14.163 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.780 -11.801 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.124 -13.463 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.076 -13.287 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.220 -13.887 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.449 -12.232 7.591 1.00 0.00 H new ATOM 831 N GLU A 51 -2.267 -9.399 1.921 1.00 0.00 N ATOM 832 CA GLU A 51 -3.232 -8.836 0.988 1.00 0.00 C ATOM 833 C GLU A 51 -4.112 -9.921 0.381 1.00 0.00 C ATOM 834 O GLU A 51 -3.616 -10.910 -0.159 1.00 0.00 O ATOM 835 CB GLU A 51 -2.513 -8.061 -0.117 1.00 0.00 C ATOM 836 CG GLU A 51 -2.428 -6.566 0.146 1.00 0.00 C ATOM 837 CD GLU A 51 -1.296 -5.904 -0.615 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.127 -6.275 -0.382 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.580 -5.014 -1.444 1.00 0.00 O ATOM 0 H GLU A 51 -1.479 -9.876 1.482 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.874 -8.152 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.505 -8.459 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.031 -8.227 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.372 -6.097 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.291 -6.396 1.214 1.00 0.00 H new ATOM 846 N SER A 52 -5.422 -9.725 0.474 1.00 0.00 N ATOM 847 CA SER A 52 -6.380 -10.681 -0.064 1.00 0.00 C ATOM 848 C SER A 52 -7.216 -10.046 -1.170 1.00 0.00 C ATOM 849 O SER A 52 -7.452 -8.836 -1.171 1.00 0.00 O ATOM 850 CB SER A 52 -7.293 -11.201 1.047 1.00 0.00 C ATOM 851 OG SER A 52 -6.790 -12.406 1.598 1.00 0.00 O ATOM 0 H SER A 52 -5.845 -8.910 0.918 1.00 0.00 H new ATOM 0 HA SER A 52 -5.824 -11.517 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.382 -10.449 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.294 -11.369 0.650 1.00 0.00 H new ATOM 0 HG SER A 52 -7.391 -12.717 2.307 1.00 0.00 H new ATOM 857 N SER A 53 -7.662 -10.871 -2.112 1.00 0.00 N ATOM 858 CA SER A 53 -8.472 -10.396 -3.226 1.00 0.00 C ATOM 859 C SER A 53 -9.435 -11.480 -3.696 1.00 0.00 C ATOM 860 O SER A 53 -9.577 -12.520 -3.053 1.00 0.00 O ATOM 861 CB SER A 53 -7.577 -9.954 -4.384 1.00 0.00 C ATOM 862 OG SER A 53 -6.498 -9.160 -3.922 1.00 0.00 O ATOM 0 H SER A 53 -7.475 -11.874 -2.125 1.00 0.00 H new ATOM 0 HA SER A 53 -9.054 -9.541 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.191 -10.831 -4.904 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.165 -9.388 -5.107 1.00 0.00 H new ATOM 0 HG SER A 53 -5.940 -8.892 -4.682 1.00 0.00 H new ATOM 868 N ALA A 54 -10.095 -11.232 -4.823 1.00 0.00 N ATOM 869 CA ALA A 54 -11.044 -12.188 -5.379 1.00 0.00 C ATOM 870 C ALA A 54 -10.377 -13.534 -5.645 1.00 0.00 C ATOM 871 O ALA A 54 -10.597 -14.501 -4.916 1.00 0.00 O ATOM 872 CB ALA A 54 -11.658 -11.639 -6.658 1.00 0.00 C ATOM 0 H ALA A 54 -9.989 -10.377 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.836 -12.344 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.365 -12.363 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.179 -10.706 -6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.871 -11.453 -7.389 1.00 0.00 H new ATOM 878 N PHE A 55 -9.563 -13.590 -6.695 1.00 0.00 N ATOM 879 CA PHE A 55 -8.864 -14.819 -7.056 1.00 0.00 C ATOM 880 C PHE A 55 -7.351 -14.611 -7.088 1.00 0.00 C ATOM 881 O PHE A 55 -6.616 -15.436 -7.631 1.00 0.00 O ATOM 882 CB PHE A 55 -9.348 -15.320 -8.418 1.00 0.00 C ATOM 883 CG PHE A 55 -10.779 -15.777 -8.416 1.00 0.00 C ATOM 884 CD1 PHE A 55 -11.125 -17.011 -7.888 1.00 0.00 C ATOM 885 CD2 PHE A 55 -11.777 -14.974 -8.943 1.00 0.00 C ATOM 886 CE1 PHE A 55 -12.440 -17.434 -7.884 1.00 0.00 C ATOM 887 CE2 PHE A 55 -13.094 -15.393 -8.943 1.00 0.00 C ATOM 888 CZ PHE A 55 -13.426 -16.624 -8.413 1.00 0.00 C ATOM 0 H PHE A 55 -9.371 -12.799 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.088 -15.566 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.231 -14.523 -9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.712 -16.145 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.358 -17.649 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.523 -14.010 -9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.697 -18.397 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.863 -14.758 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.455 -16.953 -8.412 1.00 0.00 H new ATOM 898 N ARG A 56 -6.888 -13.507 -6.506 1.00 0.00 N ATOM 899 CA ARG A 56 -5.461 -13.202 -6.475 1.00 0.00 C ATOM 900 C ARG A 56 -4.928 -13.230 -5.046 1.00 0.00 C ATOM 901 O ARG A 56 -5.695 -13.172 -4.085 1.00 0.00 O ATOM 902 CB ARG A 56 -5.198 -11.832 -7.104 1.00 0.00 C ATOM 903 CG ARG A 56 -3.897 -11.762 -7.887 1.00 0.00 C ATOM 904 CD ARG A 56 -4.129 -11.985 -9.373 1.00 0.00 C ATOM 905 NE ARG A 56 -2.924 -12.456 -10.051 1.00 0.00 N ATOM 906 CZ ARG A 56 -2.928 -13.054 -11.240 1.00 0.00 C ATOM 907 NH1 ARG A 56 -4.070 -13.254 -11.886 1.00 0.00 N ATOM 908 NH2 ARG A 56 -1.786 -13.451 -11.785 1.00 0.00 N ATOM 0 H ARG A 56 -7.479 -12.811 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.939 -13.966 -7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.026 -11.581 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.180 -11.078 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.430 -10.789 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.203 -12.513 -7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.929 -12.712 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.462 -11.054 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.027 -12.319 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.951 -12.949 -11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.067 -13.713 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.906 -13.298 -11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.788 -13.909 -12.696 1.00 0.00 H new ATOM 922 N ASN A 57 -3.608 -13.319 -4.915 1.00 0.00 N ATOM 923 CA ASN A 57 -2.971 -13.355 -3.603 1.00 0.00 C ATOM 924 C ASN A 57 -1.771 -12.413 -3.554 1.00 0.00 C ATOM 925 O ASN A 57 -0.945 -12.396 -4.466 1.00 0.00 O ATOM 926 CB ASN A 57 -2.529 -14.780 -3.266 1.00 0.00 C ATOM 927 CG ASN A 57 -2.706 -15.108 -1.797 1.00 0.00 C ATOM 928 OD1 ASN A 57 -1.629 -15.546 -1.155 1.00 0.00 O flip ATOM 929 ND2 ASN A 57 -3.797 -14.969 -1.244 1.00 0.00 N flip ATOM 0 H ASN A 57 -2.959 -13.367 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.701 -13.024 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.103 -15.487 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.482 -14.907 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.599 -14.629 -1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.899 -15.193 -0.254 1.00 0.00 H new ATOM 936 N ILE A 58 -1.682 -11.633 -2.482 1.00 0.00 N ATOM 937 CA ILE A 58 -0.584 -10.687 -2.311 1.00 0.00 C ATOM 938 C ILE A 58 -0.250 -10.504 -0.834 1.00 0.00 C ATOM 939 O ILE A 58 -1.112 -10.659 0.030 1.00 0.00 O ATOM 940 CB ILE A 58 -0.913 -9.311 -2.931 1.00 0.00 C ATOM 941 CG1 ILE A 58 -1.746 -9.477 -4.207 1.00 0.00 C ATOM 942 CG2 ILE A 58 0.368 -8.545 -3.226 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.265 -8.168 -4.767 1.00 0.00 C ATOM 0 H ILE A 58 -2.357 -11.637 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 58 0.278 -11.106 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.501 -8.741 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.139 -9.972 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.591 -10.133 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.121 -7.577 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.923 -8.394 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.979 -9.114 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.845 -8.363 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.899 -7.681 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.425 -7.517 -5.010 1.00 0.00 H new ATOM 955 N GLU A 59 1.008 -10.179 -0.551 1.00 0.00 N ATOM 956 CA GLU A 59 1.458 -9.978 0.823 1.00 0.00 C ATOM 957 C GLU A 59 2.937 -9.604 0.859 1.00 0.00 C ATOM 958 O GLU A 59 3.690 -9.942 -0.053 1.00 0.00 O ATOM 959 CB GLU A 59 1.220 -11.244 1.651 1.00 0.00 C ATOM 960 CG GLU A 59 1.623 -12.524 0.935 1.00 0.00 C ATOM 961 CD GLU A 59 0.488 -13.525 0.844 1.00 0.00 C ATOM 962 OE1 GLU A 59 -0.290 -13.631 1.815 1.00 0.00 O ATOM 963 OE2 GLU A 59 0.377 -14.203 -0.199 1.00 0.00 O ATOM 0 H GLU A 59 1.734 -10.049 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 59 0.882 -9.158 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.778 -11.168 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.164 -11.302 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.969 -12.280 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.463 -12.980 1.459 1.00 0.00 H new ATOM 970 N VAL A 60 3.348 -8.904 1.916 1.00 0.00 N ATOM 971 CA VAL A 60 4.741 -8.488 2.053 1.00 0.00 C ATOM 972 C VAL A 60 5.091 -8.113 3.492 1.00 0.00 C ATOM 973 O VAL A 60 4.714 -7.044 3.972 1.00 0.00 O ATOM 974 CB VAL A 60 5.059 -7.281 1.145 1.00 0.00 C ATOM 975 CG1 VAL A 60 5.224 -7.723 -0.299 1.00 0.00 C ATOM 976 CG2 VAL A 60 3.978 -6.214 1.265 1.00 0.00 C ATOM 0 H VAL A 60 2.741 -8.616 2.683 1.00 0.00 H new ATOM 0 HA VAL A 60 5.341 -9.347 1.752 1.00 0.00 H new ATOM 0 HB VAL A 60 6.002 -6.846 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.448 -6.857 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.042 -8.441 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.301 -8.189 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.223 -5.373 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.017 -6.634 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.919 -5.870 2.298 1.00 0.00 H new ATOM 986 N VAL A 61 5.839 -8.980 4.171 1.00 0.00 N ATOM 987 CA VAL A 61 6.260 -8.705 5.541 1.00 0.00 C ATOM 988 C VAL A 61 7.164 -7.478 5.551 1.00 0.00 C ATOM 989 O VAL A 61 7.819 -7.186 4.550 1.00 0.00 O ATOM 990 CB VAL A 61 7.006 -9.906 6.159 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.177 -10.311 5.282 1.00 0.00 C ATOM 992 CG2 VAL A 61 7.477 -9.590 7.574 1.00 0.00 C ATOM 0 H VAL A 61 6.164 -9.872 3.798 1.00 0.00 H new ATOM 0 HA VAL A 61 5.369 -8.522 6.142 1.00 0.00 H new ATOM 0 HB VAL A 61 6.311 -10.743 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.692 -11.159 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.812 -10.591 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.869 -9.474 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.999 -10.454 7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.153 -8.735 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.616 -9.355 8.200 1.00 0.00 H new ATOM 1002 N PHE A 62 7.191 -6.742 6.658 1.00 0.00 N ATOM 1003 CA PHE A 62 8.012 -5.541 6.722 1.00 0.00 C ATOM 1004 C PHE A 62 8.560 -5.284 8.112 1.00 0.00 C ATOM 1005 O PHE A 62 8.112 -5.872 9.092 1.00 0.00 O ATOM 1006 CB PHE A 62 7.201 -4.344 6.245 1.00 0.00 C ATOM 1007 CG PHE A 62 6.902 -4.393 4.781 1.00 0.00 C ATOM 1008 CD1 PHE A 62 7.924 -4.546 3.860 1.00 0.00 C ATOM 1009 CD2 PHE A 62 5.601 -4.286 4.327 1.00 0.00 C ATOM 1010 CE1 PHE A 62 7.653 -4.590 2.508 1.00 0.00 C ATOM 1011 CE2 PHE A 62 5.323 -4.328 2.978 1.00 0.00 C ATOM 1012 CZ PHE A 62 6.350 -4.481 2.065 1.00 0.00 C ATOM 0 H PHE A 62 6.665 -6.951 7.506 1.00 0.00 H new ATOM 0 HA PHE A 62 8.871 -5.694 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.265 -4.301 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.748 -3.428 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.944 -4.632 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.795 -4.168 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.458 -4.709 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.303 -4.241 2.634 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.133 -4.515 1.008 1.00 0.00 H new ATOM 1022 N GLU A 63 9.545 -4.397 8.174 1.00 0.00 N ATOM 1023 CA GLU A 63 10.186 -4.042 9.428 1.00 0.00 C ATOM 1024 C GLU A 63 10.445 -2.544 9.495 1.00 0.00 C ATOM 1025 O GLU A 63 10.634 -1.889 8.470 1.00 0.00 O ATOM 1026 CB GLU A 63 11.494 -4.813 9.575 1.00 0.00 C ATOM 1027 CG GLU A 63 12.033 -4.838 10.996 1.00 0.00 C ATOM 1028 CD GLU A 63 13.537 -5.023 11.046 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.993 -6.186 11.055 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.260 -4.004 11.076 1.00 0.00 O ATOM 0 H GLU A 63 9.918 -3.908 7.361 1.00 0.00 H new ATOM 0 HA GLU A 63 9.520 -4.308 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.341 -5.838 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.243 -4.368 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.768 -3.907 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.553 -5.645 11.549 1.00 0.00 H new ATOM 1037 N LEU A 64 10.448 -2.007 10.707 1.00 0.00 N ATOM 1038 CA LEU A 64 10.680 -0.586 10.908 1.00 0.00 C ATOM 1039 C LEU A 64 12.129 -0.227 10.595 1.00 0.00 C ATOM 1040 O LEU A 64 13.032 -0.521 11.379 1.00 0.00 O ATOM 1041 CB LEU A 64 10.337 -0.209 12.348 1.00 0.00 C ATOM 1042 CG LEU A 64 8.905 -0.538 12.784 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.595 0.114 14.123 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.903 -0.089 11.730 1.00 0.00 C ATOM 0 H LEU A 64 10.292 -2.535 11.566 1.00 0.00 H new ATOM 0 HA LEU A 64 10.039 -0.025 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.030 -0.721 13.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.502 0.861 12.476 1.00 0.00 H new ATOM 0 HG LEU A 64 8.822 -1.619 12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.574 -0.129 14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.289 -0.256 14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.699 1.195 14.034 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.893 -0.333 12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.987 0.988 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.110 -0.600 10.790 1.00 0.00 H new ATOM 1056 N GLY A 65 12.351 0.397 9.439 1.00 0.00 N ATOM 1057 CA GLY A 65 13.697 0.765 9.048 1.00 0.00 C ATOM 1058 C GLY A 65 14.262 -0.179 8.011 1.00 0.00 C ATOM 1059 O GLY A 65 15.478 -0.332 7.890 1.00 0.00 O ATOM 0 H GLY A 65 11.624 0.652 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.695 1.780 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.342 0.767 9.927 1.00 0.00 H new ATOM 1063 N VAL A 66 13.371 -0.812 7.259 1.00 0.00 N ATOM 1064 CA VAL A 66 13.770 -1.745 6.221 1.00 0.00 C ATOM 1065 C VAL A 66 13.036 -1.448 4.924 1.00 0.00 C ATOM 1066 O VAL A 66 11.889 -0.999 4.928 1.00 0.00 O ATOM 1067 CB VAL A 66 13.525 -3.201 6.657 1.00 0.00 C ATOM 1068 CG1 VAL A 66 13.942 -4.173 5.563 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.278 -3.481 7.947 1.00 0.00 C ATOM 0 H VAL A 66 12.362 -0.693 7.352 1.00 0.00 H new ATOM 0 HA VAL A 66 14.840 -1.620 6.052 1.00 0.00 H new ATOM 0 HB VAL A 66 12.459 -3.342 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.759 -5.195 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.363 -3.976 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.003 -4.046 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.103 -4.512 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.345 -3.326 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.927 -2.806 8.727 1.00 0.00 H new ATOM 1079 N THR A 67 13.727 -1.673 3.820 1.00 0.00 N ATOM 1080 CA THR A 67 13.183 -1.408 2.501 1.00 0.00 C ATOM 1081 C THR A 67 11.871 -2.154 2.251 1.00 0.00 C ATOM 1082 O THR A 67 11.543 -3.121 2.939 1.00 0.00 O ATOM 1083 CB THR A 67 14.232 -1.764 1.443 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.154 -0.701 1.283 1.00 0.00 O ATOM 1085 CG2 THR A 67 13.658 -2.075 0.074 1.00 0.00 C ATOM 0 H THR A 67 14.677 -2.043 3.813 1.00 0.00 H new ATOM 0 HA THR A 67 12.945 -0.346 2.437 1.00 0.00 H new ATOM 0 HB THR A 67 14.711 -2.668 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.666 0.132 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.468 -2.316 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.980 -2.925 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.113 -1.207 -0.298 1.00 0.00 H new ATOM 1093 N PHE A 68 11.139 -1.686 1.243 1.00 0.00 N ATOM 1094 CA PHE A 68 9.867 -2.275 0.850 1.00 0.00 C ATOM 1095 C PHE A 68 10.069 -3.139 -0.389 1.00 0.00 C ATOM 1096 O PHE A 68 11.058 -2.979 -1.104 1.00 0.00 O ATOM 1097 CB PHE A 68 8.840 -1.170 0.561 1.00 0.00 C ATOM 1098 CG PHE A 68 7.593 -1.251 1.397 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.653 -1.630 2.725 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.355 -0.949 0.849 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.506 -1.708 3.488 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.205 -1.030 1.607 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.280 -1.412 2.927 1.00 0.00 C ATOM 0 H PHE A 68 11.415 -0.885 0.675 1.00 0.00 H new ATOM 0 HA PHE A 68 9.491 -2.895 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.311 -0.201 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.561 -1.215 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.608 -1.868 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.290 -0.646 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.568 -2.001 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.248 -0.794 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.382 -1.480 3.523 1.00 0.00 H new ATOM 1113 N ASN A 69 9.143 -4.053 -0.640 1.00 0.00 N ATOM 1114 CA ASN A 69 9.251 -4.934 -1.799 1.00 0.00 C ATOM 1115 C ASN A 69 7.886 -5.233 -2.410 1.00 0.00 C ATOM 1116 O ASN A 69 6.884 -5.334 -1.703 1.00 0.00 O ATOM 1117 CB ASN A 69 9.939 -6.241 -1.404 1.00 0.00 C ATOM 1118 CG ASN A 69 11.448 -6.159 -1.524 1.00 0.00 C ATOM 1119 OD1 ASN A 69 12.085 -5.299 -0.916 1.00 0.00 O ATOM 1120 ND2 ASN A 69 12.029 -7.056 -2.313 1.00 0.00 N ATOM 0 H ASN A 69 8.315 -4.205 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 69 9.849 -4.418 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.672 -6.493 -0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.570 -7.048 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.042 -7.049 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.462 -7.752 -2.798 1.00 0.00 H new ATOM 1127 N TYR A 70 7.862 -5.387 -3.730 1.00 0.00 N ATOM 1128 CA TYR A 70 6.629 -5.692 -4.446 1.00 0.00 C ATOM 1129 C TYR A 70 6.930 -6.132 -5.878 1.00 0.00 C ATOM 1130 O TYR A 70 6.428 -5.550 -6.840 1.00 0.00 O ATOM 1131 CB TYR A 70 5.695 -4.480 -4.445 1.00 0.00 C ATOM 1132 CG TYR A 70 4.289 -4.806 -3.992 1.00 0.00 C ATOM 1133 CD1 TYR A 70 3.395 -5.443 -4.843 1.00 0.00 C ATOM 1134 CD2 TYR A 70 3.858 -4.481 -2.712 1.00 0.00 C ATOM 1135 CE1 TYR A 70 2.111 -5.746 -4.432 1.00 0.00 C ATOM 1136 CE2 TYR A 70 2.575 -4.780 -2.294 1.00 0.00 C ATOM 1137 CZ TYR A 70 1.706 -5.412 -3.157 1.00 0.00 C ATOM 1138 OH TYR A 70 0.428 -5.712 -2.745 1.00 0.00 O ATOM 0 H TYR A 70 8.685 -5.305 -4.327 1.00 0.00 H new ATOM 0 HA TYR A 70 6.131 -6.514 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.110 -3.711 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.657 -4.059 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.709 -5.706 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.536 -3.987 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.428 -6.242 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.255 -4.520 -1.296 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.011 -4.898 -2.422 1.00 0.00 H new ATOM 1224 N GLU A 77 8.122 -4.438 -10.264 1.00 0.00 N ATOM 1225 CA GLU A 77 8.692 -4.414 -8.922 1.00 0.00 C ATOM 1226 C GLU A 77 8.828 -2.998 -8.370 1.00 0.00 C ATOM 1227 O GLU A 77 9.251 -2.077 -9.069 1.00 0.00 O ATOM 1228 CB GLU A 77 10.059 -5.100 -8.921 1.00 0.00 C ATOM 1229 CG GLU A 77 11.085 -4.413 -9.808 1.00 0.00 C ATOM 1230 CD GLU A 77 11.942 -5.399 -10.578 1.00 0.00 C ATOM 1231 OE1 GLU A 77 11.372 -6.249 -11.293 1.00 0.00 O ATOM 1232 OE2 GLU A 77 13.183 -5.320 -10.466 1.00 0.00 O ATOM 0 HA GLU A 77 8.003 -4.953 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.438 -5.134 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.939 -6.132 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.571 -3.757 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.727 -3.782 -9.193 1.00 0.00 H new ATOM 1239 N LEU A 78 8.487 -2.852 -7.093 1.00 0.00 N ATOM 1240 CA LEU A 78 8.582 -1.574 -6.397 1.00 0.00 C ATOM 1241 C LEU A 78 9.225 -1.795 -5.027 1.00 0.00 C ATOM 1242 O LEU A 78 8.788 -2.657 -4.262 1.00 0.00 O ATOM 1243 CB LEU A 78 7.193 -0.935 -6.243 1.00 0.00 C ATOM 1244 CG LEU A 78 6.881 0.198 -7.231 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.579 -0.069 -7.966 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.805 1.540 -6.526 1.00 0.00 C ATOM 0 H LEU A 78 8.138 -3.615 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 78 9.200 -0.892 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.438 -1.713 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.100 -0.547 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 78 7.696 0.232 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.379 0.747 -8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.659 -1.005 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.763 -0.141 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.583 2.321 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.018 1.511 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.760 1.753 -6.045 1.00 0.00 H new ATOM 1258 N ARG A 79 10.281 -1.040 -4.733 1.00 0.00 N ATOM 1259 CA ARG A 79 10.991 -1.186 -3.463 1.00 0.00 C ATOM 1260 C ARG A 79 11.294 0.162 -2.808 1.00 0.00 C ATOM 1261 O ARG A 79 11.902 1.033 -3.419 1.00 0.00 O ATOM 1262 CB ARG A 79 12.300 -1.930 -3.692 1.00 0.00 C ATOM 1263 CG ARG A 79 12.152 -3.177 -4.549 1.00 0.00 C ATOM 1264 CD ARG A 79 13.102 -4.276 -4.102 1.00 0.00 C ATOM 1265 NE ARG A 79 13.123 -5.397 -5.040 1.00 0.00 N ATOM 1266 CZ ARG A 79 14.025 -6.375 -5.006 1.00 0.00 C ATOM 1267 NH1 ARG A 79 14.980 -6.375 -4.085 1.00 0.00 N ATOM 1268 NH2 ARG A 79 13.971 -7.357 -5.896 1.00 0.00 N ATOM 0 H ARG A 79 10.663 -0.325 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 79 10.340 -1.746 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.013 -1.256 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.722 -2.211 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.125 -3.538 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.347 -2.928 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.108 -3.868 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.804 -4.634 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 79 12.404 -5.432 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.026 -5.623 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.668 -7.127 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.239 -7.362 -6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.662 -8.107 -5.871 1.00 0.00 H new ATOM 1282 N GLY A 80 10.894 0.313 -1.550 1.00 0.00 N ATOM 1283 CA GLY A 80 11.153 1.549 -0.825 1.00 0.00 C ATOM 1284 C GLY A 80 11.459 1.292 0.638 1.00 0.00 C ATOM 1285 O GLY A 80 12.466 0.666 0.948 1.00 0.00 O ATOM 0 H GLY A 80 10.394 -0.398 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.992 2.071 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.286 2.205 -0.905 1.00 0.00 H new ATOM 1289 N THR A 81 10.586 1.750 1.539 1.00 0.00 N ATOM 1290 CA THR A 81 10.776 1.527 2.976 1.00 0.00 C ATOM 1291 C THR A 81 9.460 1.659 3.741 1.00 0.00 C ATOM 1292 O THR A 81 8.429 2.021 3.176 1.00 0.00 O ATOM 1293 CB THR A 81 11.803 2.497 3.566 1.00 0.00 C ATOM 1294 OG1 THR A 81 11.559 3.820 3.123 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.235 2.150 3.215 1.00 0.00 C ATOM 0 H THR A 81 9.744 2.275 1.301 1.00 0.00 H new ATOM 0 HA THR A 81 11.150 0.509 3.085 1.00 0.00 H new ATOM 0 HB THR A 81 11.684 2.414 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.225 4.424 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.907 2.880 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.472 1.156 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.358 2.165 2.132 1.00 0.00 H new ATOM 1303 N TRP A 82 9.519 1.369 5.037 1.00 0.00 N ATOM 1304 CA TRP A 82 8.354 1.456 5.917 1.00 0.00 C ATOM 1305 C TRP A 82 8.804 1.853 7.321 1.00 0.00 C ATOM 1306 O TRP A 82 9.793 1.325 7.830 1.00 0.00 O ATOM 1307 CB TRP A 82 7.624 0.108 5.968 1.00 0.00 C ATOM 1308 CG TRP A 82 6.156 0.216 5.700 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.567 0.878 4.668 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.092 -0.359 6.469 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.201 0.761 4.747 1.00 0.00 N ATOM 1312 CE2 TRP A 82 3.884 0.006 5.844 1.00 0.00 C ATOM 1313 CE3 TRP A 82 5.042 -1.145 7.625 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 2.642 -0.386 6.336 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 3.806 -1.534 8.111 1.00 0.00 C ATOM 1316 CH2 TRP A 82 2.622 -1.154 7.467 1.00 0.00 C ATOM 0 H TRP A 82 10.372 1.068 5.508 1.00 0.00 H new ATOM 0 HA TRP A 82 7.670 2.210 5.527 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.070 -0.566 5.237 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.774 -0.341 6.950 1.00 0.00 H new ATOM 0 HD1 TRP A 82 6.097 1.418 3.897 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.532 1.170 4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.950 -1.442 8.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.727 -0.094 5.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.754 -2.141 9.003 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.673 -1.474 7.872 1.00 0.00 H new ATOM 1327 N SER A 83 8.090 2.783 7.944 1.00 0.00 N ATOM 1328 CA SER A 83 8.451 3.232 9.284 1.00 0.00 C ATOM 1329 C SER A 83 7.237 3.741 10.052 1.00 0.00 C ATOM 1330 O SER A 83 6.295 4.274 9.467 1.00 0.00 O ATOM 1331 CB SER A 83 9.512 4.330 9.205 1.00 0.00 C ATOM 1332 OG SER A 83 10.809 3.778 9.062 1.00 0.00 O ATOM 0 H SER A 83 7.267 3.237 7.549 1.00 0.00 H new ATOM 0 HA SER A 83 8.855 2.374 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.298 4.986 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.472 4.944 10.105 1.00 0.00 H new ATOM 0 HG SER A 83 10.740 2.868 8.705 1.00 0.00 H new ATOM 1338 N LEU A 84 7.275 3.577 11.370 1.00 0.00 N ATOM 1339 CA LEU A 84 6.190 4.023 12.233 1.00 0.00 C ATOM 1340 C LEU A 84 6.680 5.109 13.184 1.00 0.00 C ATOM 1341 O LEU A 84 7.748 4.985 13.784 1.00 0.00 O ATOM 1342 CB LEU A 84 5.626 2.845 13.031 1.00 0.00 C ATOM 1343 CG LEU A 84 4.144 2.549 12.789 1.00 0.00 C ATOM 1344 CD1 LEU A 84 3.955 1.126 12.288 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.340 2.779 14.061 1.00 0.00 C ATOM 0 H LEU A 84 8.050 3.136 11.865 1.00 0.00 H new ATOM 0 HA LEU A 84 5.399 4.435 11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.203 1.953 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.773 3.042 14.093 1.00 0.00 H new ATOM 0 HG LEU A 84 3.779 3.232 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.894 0.936 12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.498 0.995 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.337 0.425 13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.289 2.564 13.871 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.708 2.121 14.848 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.447 3.817 14.376 1.00 0.00 H new ATOM 1357 N GLU A 85 5.900 6.174 13.313 1.00 0.00 N ATOM 1358 CA GLU A 85 6.266 7.278 14.186 1.00 0.00 C ATOM 1359 C GLU A 85 5.086 7.712 15.051 1.00 0.00 C ATOM 1360 O GLU A 85 4.261 8.523 14.630 1.00 0.00 O ATOM 1361 CB GLU A 85 6.760 8.460 13.353 1.00 0.00 C ATOM 1362 CG GLU A 85 7.993 8.146 12.521 1.00 0.00 C ATOM 1363 CD GLU A 85 9.247 8.802 13.065 1.00 0.00 C ATOM 1364 OE1 GLU A 85 9.542 9.947 12.661 1.00 0.00 O ATOM 1365 OE2 GLU A 85 9.935 8.171 13.895 1.00 0.00 O ATOM 0 H GLU A 85 5.013 6.296 12.825 1.00 0.00 H new ATOM 0 HA GLU A 85 7.065 6.938 14.845 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.959 8.787 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.984 9.294 14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.138 7.066 12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.829 8.478 11.496 1.00 0.00 H new ATOM 1372 N GLY A 86 5.014 7.173 16.263 1.00 0.00 N ATOM 1373 CA GLY A 86 3.934 7.523 17.166 1.00 0.00 C ATOM 1374 C GLY A 86 2.578 7.099 16.644 1.00 0.00 C ATOM 1375 O GLY A 86 2.251 5.913 16.637 1.00 0.00 O ATOM 0 H GLY A 86 5.684 6.500 16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.109 7.055 18.135 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.936 8.601 17.328 1.00 0.00 H new ATOM 1379 N ASN A 87 1.783 8.072 16.211 1.00 0.00 N ATOM 1380 CA ASN A 87 0.451 7.790 15.690 1.00 0.00 C ATOM 1381 C ASN A 87 0.394 7.971 14.175 1.00 0.00 C ATOM 1382 O ASN A 87 -0.683 8.145 13.604 1.00 0.00 O ATOM 1383 CB ASN A 87 -0.583 8.695 16.362 1.00 0.00 C ATOM 1384 CG ASN A 87 -1.161 8.079 17.621 1.00 0.00 C ATOM 1385 OD1 ASN A 87 -1.095 8.666 18.701 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -1.731 6.886 17.489 1.00 0.00 N ATOM 0 H ASN A 87 2.037 9.060 16.211 1.00 0.00 H new ATOM 0 HA ASN A 87 0.220 6.749 15.915 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.120 9.650 16.608 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.390 8.904 15.660 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.136 6.421 18.302 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.764 6.435 16.575 1.00 0.00 H new ATOM 1393 N LYS A 88 1.554 7.925 13.526 1.00 0.00 N ATOM 1394 CA LYS A 88 1.624 8.078 12.078 1.00 0.00 C ATOM 1395 C LYS A 88 2.619 7.091 11.479 1.00 0.00 C ATOM 1396 O LYS A 88 3.737 6.944 11.973 1.00 0.00 O ATOM 1397 CB LYS A 88 2.013 9.512 11.707 1.00 0.00 C ATOM 1398 CG LYS A 88 3.354 9.950 12.273 1.00 0.00 C ATOM 1399 CD LYS A 88 3.182 10.784 13.532 1.00 0.00 C ATOM 1400 CE LYS A 88 4.518 11.297 14.047 1.00 0.00 C ATOM 1401 NZ LYS A 88 4.581 11.287 15.534 1.00 0.00 N ATOM 0 H LYS A 88 2.456 7.783 13.980 1.00 0.00 H new ATOM 0 HA LYS A 88 0.637 7.867 11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.041 9.602 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.239 10.192 12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.960 9.072 12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.895 10.528 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.523 11.627 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.699 10.185 14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.323 10.681 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.682 12.312 13.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.487 11.691 15.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.798 11.854 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.501 10.309 15.878 1.00 0.00 H new ATOM 1415 N LEU A 89 2.204 6.410 10.416 1.00 0.00 N ATOM 1416 CA LEU A 89 3.061 5.431 9.756 1.00 0.00 C ATOM 1417 C LEU A 89 3.416 5.890 8.347 1.00 0.00 C ATOM 1418 O LEU A 89 2.591 6.487 7.654 1.00 0.00 O ATOM 1419 CB LEU A 89 2.382 4.056 9.697 1.00 0.00 C ATOM 1420 CG LEU A 89 1.215 3.837 10.668 1.00 0.00 C ATOM 1421 CD1 LEU A 89 1.548 4.353 12.062 1.00 0.00 C ATOM 1422 CD2 LEU A 89 -0.053 4.494 10.138 1.00 0.00 C ATOM 0 H LEU A 89 1.282 6.517 9.994 1.00 0.00 H new ATOM 0 HA LEU A 89 3.976 5.343 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.018 3.896 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.136 3.293 9.889 1.00 0.00 H new ATOM 0 HG LEU A 89 1.042 2.764 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.700 4.182 12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.421 3.826 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.761 5.421 12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.870 4.328 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.113 5.565 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.311 4.060 9.172 1.00 0.00 H new ATOM 1434 N ILE A 90 4.646 5.615 7.928 1.00 0.00 N ATOM 1435 CA ILE A 90 5.099 6.009 6.600 1.00 0.00 C ATOM 1436 C ILE A 90 5.699 4.840 5.829 1.00 0.00 C ATOM 1437 O ILE A 90 6.475 4.050 6.366 1.00 0.00 O ATOM 1438 CB ILE A 90 6.141 7.140 6.662 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.756 8.164 7.731 1.00 0.00 C ATOM 1440 CG2 ILE A 90 6.275 7.805 5.298 1.00 0.00 C ATOM 1441 CD1 ILE A 90 6.434 7.931 9.063 1.00 0.00 C ATOM 0 H ILE A 90 5.344 5.123 8.486 1.00 0.00 H new ATOM 0 HA ILE A 90 4.210 6.363 6.079 1.00 0.00 H new ATOM 0 HB ILE A 90 7.107 6.714 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.008 9.162 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.676 8.140 7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.015 8.604 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.593 7.066 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.313 8.222 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.114 8.694 9.772 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.162 6.946 9.442 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.515 7.984 8.935 1.00 0.00 H new ATOM 1453 N GLY A 91 5.337 4.760 4.558 1.00 0.00 N ATOM 1454 CA GLY A 91 5.834 3.720 3.687 1.00 0.00 C ATOM 1455 C GLY A 91 6.236 4.282 2.342 1.00 0.00 C ATOM 1456 O GLY A 91 5.779 5.356 1.959 1.00 0.00 O ATOM 0 H GLY A 91 4.694 5.412 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.691 3.231 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.067 2.958 3.551 1.00 0.00 H new ATOM 1460 N LYS A 92 7.102 3.582 1.627 1.00 0.00 N ATOM 1461 CA LYS A 92 7.552 4.059 0.327 1.00 0.00 C ATOM 1462 C LYS A 92 8.029 2.917 -0.562 1.00 0.00 C ATOM 1463 O LYS A 92 8.391 1.845 -0.078 1.00 0.00 O ATOM 1464 CB LYS A 92 8.672 5.096 0.495 1.00 0.00 C ATOM 1465 CG LYS A 92 9.450 4.967 1.798 1.00 0.00 C ATOM 1466 CD LYS A 92 9.003 5.998 2.823 1.00 0.00 C ATOM 1467 CE LYS A 92 9.438 7.400 2.431 1.00 0.00 C ATOM 1468 NZ LYS A 92 10.888 7.460 2.100 1.00 0.00 N ATOM 0 H LYS A 92 7.504 2.691 1.919 1.00 0.00 H new ATOM 0 HA LYS A 92 6.697 4.527 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.366 5.004 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.239 6.095 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.314 3.965 2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.515 5.088 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.918 5.967 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.419 5.746 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.856 7.734 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.224 8.088 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.216 8.446 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.423 6.880 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.040 7.096 1.138 1.00 0.00 H new ATOM 1482 N PHE A 93 8.049 3.174 -1.867 1.00 0.00 N ATOM 1483 CA PHE A 93 8.513 2.198 -2.848 1.00 0.00 C ATOM 1484 C PHE A 93 9.447 2.871 -3.848 1.00 0.00 C ATOM 1485 O PHE A 93 9.600 4.092 -3.852 1.00 0.00 O ATOM 1486 CB PHE A 93 7.366 1.566 -3.641 1.00 0.00 C ATOM 1487 CG PHE A 93 6.441 0.658 -2.874 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.336 1.158 -2.200 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.655 -0.712 -2.874 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.472 0.307 -1.535 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.788 -1.566 -2.220 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.695 -1.056 -1.549 1.00 0.00 C ATOM 0 H PHE A 93 7.746 4.060 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 93 9.023 1.416 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.772 2.368 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.794 0.998 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.149 2.222 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.511 -1.117 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.622 0.709 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.965 -2.631 -2.234 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.016 -1.721 -1.036 1.00 0.00 H new ATOM 1502 N LYS A 94 10.043 2.065 -4.715 1.00 0.00 N ATOM 1503 CA LYS A 94 10.935 2.568 -5.753 1.00 0.00 C ATOM 1504 C LYS A 94 10.923 1.642 -6.963 1.00 0.00 C ATOM 1505 O LYS A 94 10.948 0.420 -6.819 1.00 0.00 O ATOM 1506 CB LYS A 94 12.368 2.725 -5.243 1.00 0.00 C ATOM 1507 CG LYS A 94 13.173 3.720 -6.045 1.00 0.00 C ATOM 1508 CD LYS A 94 13.357 5.028 -5.295 1.00 0.00 C ATOM 1509 CE LYS A 94 14.824 5.385 -5.180 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.147 6.007 -3.866 1.00 0.00 N ATOM 0 H LYS A 94 9.924 1.052 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 94 10.567 3.552 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.344 3.041 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.866 1.756 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.149 3.294 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.673 3.912 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.824 5.826 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.920 4.946 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.427 4.487 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.094 6.072 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.161 6.235 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.591 6.878 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.915 5.342 -3.101 1.00 0.00 H new ATOM 1524 N ARG A 95 10.885 2.227 -8.154 1.00 0.00 N ATOM 1525 CA ARG A 95 10.869 1.445 -9.385 1.00 0.00 C ATOM 1526 C ARG A 95 12.268 0.999 -9.771 1.00 0.00 C ATOM 1527 O ARG A 95 13.255 1.672 -9.475 1.00 0.00 O ATOM 1528 CB ARG A 95 10.255 2.246 -10.531 1.00 0.00 C ATOM 1529 CG ARG A 95 8.754 2.445 -10.400 1.00 0.00 C ATOM 1530 CD ARG A 95 8.033 2.134 -11.702 1.00 0.00 C ATOM 1531 NE ARG A 95 6.814 1.363 -11.480 1.00 0.00 N ATOM 1532 CZ ARG A 95 6.794 0.148 -10.936 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.924 -0.444 -10.569 1.00 0.00 N ATOM 1534 NH2 ARG A 95 5.640 -0.479 -10.764 1.00 0.00 N ATOM 0 H ARG A 95 10.865 3.237 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 95 10.258 0.561 -9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.739 3.221 -10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.465 1.737 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.369 1.803 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.547 3.474 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.785 3.066 -12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.699 1.578 -12.362 1.00 0.00 H new ATOM 0 HE ARG A 95 5.925 1.779 -11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.816 0.032 -10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.900 -1.375 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.769 -0.031 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.623 -1.410 -10.347 1.00 0.00 H new ATOM 1548 N THR A 96 12.335 -0.146 -10.434 1.00 0.00 N ATOM 1549 CA THR A 96 13.602 -0.713 -10.872 1.00 0.00 C ATOM 1550 C THR A 96 14.128 -0.006 -12.122 1.00 0.00 C ATOM 1551 O THR A 96 15.330 -0.005 -12.385 1.00 0.00 O ATOM 1552 CB THR A 96 13.423 -2.212 -11.129 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.617 -2.918 -10.842 1.00 0.00 O ATOM 1554 CG2 THR A 96 13.018 -2.551 -12.551 1.00 0.00 C ATOM 0 H THR A 96 11.519 -0.705 -10.682 1.00 0.00 H new ATOM 0 HA THR A 96 14.342 -0.567 -10.085 1.00 0.00 H new ATOM 0 HB THR A 96 12.612 -2.513 -10.465 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.405 -3.856 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.912 -3.631 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.068 -2.070 -12.783 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.783 -2.196 -13.242 1.00 0.00 H new ATOM 1562 N ASP A 97 13.220 0.593 -12.889 1.00 0.00 N ATOM 1563 CA ASP A 97 13.593 1.301 -14.112 1.00 0.00 C ATOM 1564 C ASP A 97 14.747 2.269 -13.858 1.00 0.00 C ATOM 1565 O ASP A 97 15.625 2.440 -14.703 1.00 0.00 O ATOM 1566 CB ASP A 97 12.388 2.061 -14.670 1.00 0.00 C ATOM 1567 CG ASP A 97 12.700 2.761 -15.979 1.00 0.00 C ATOM 1568 OD1 ASP A 97 13.403 3.793 -15.948 1.00 0.00 O ATOM 1569 OD2 ASP A 97 12.242 2.277 -17.035 1.00 0.00 O ATOM 0 H ASP A 97 12.221 0.602 -12.686 1.00 0.00 H new ATOM 0 HA ASP A 97 13.922 0.562 -14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.562 1.366 -14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.056 2.797 -13.938 1.00 0.00 H new ATOM 1574 N ASN A 98 14.736 2.898 -12.688 1.00 0.00 N ATOM 1575 CA ASN A 98 15.778 3.849 -12.317 1.00 0.00 C ATOM 1576 C ASN A 98 15.536 4.389 -10.912 1.00 0.00 C ATOM 1577 O ASN A 98 15.750 5.571 -10.643 1.00 0.00 O ATOM 1578 CB ASN A 98 15.829 5.003 -13.320 1.00 0.00 C ATOM 1579 CG ASN A 98 17.238 5.516 -13.541 1.00 0.00 C ATOM 1580 OD1 ASN A 98 18.121 4.774 -13.972 1.00 0.00 O ATOM 1581 ND2 ASN A 98 17.456 6.792 -13.246 1.00 0.00 N ATOM 0 H ASN A 98 14.015 2.766 -11.978 1.00 0.00 H new ATOM 0 HA ASN A 98 16.736 3.328 -12.330 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.413 4.672 -14.271 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.200 5.819 -12.963 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.385 7.194 -13.374 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.695 7.371 -12.891 1.00 0.00 H new ATOM 1588 N GLY A 99 15.082 3.512 -10.022 1.00 0.00 N ATOM 1589 CA GLY A 99 14.808 3.907 -8.655 1.00 0.00 C ATOM 1590 C GLY A 99 13.935 5.142 -8.566 1.00 0.00 C ATOM 1591 O GLY A 99 14.361 6.175 -8.049 1.00 0.00 O ATOM 0 H GLY A 99 14.899 2.530 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.319 3.083 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.750 4.095 -8.140 1.00 0.00 H new ATOM 1595 N ASN A 100 12.704 5.033 -9.055 1.00 0.00 N ATOM 1596 CA ASN A 100 11.771 6.151 -9.006 1.00 0.00 C ATOM 1597 C ASN A 100 11.222 6.296 -7.589 1.00 0.00 C ATOM 1598 O ASN A 100 10.944 5.306 -6.920 1.00 0.00 O ATOM 1599 CB ASN A 100 10.636 5.954 -10.013 1.00 0.00 C ATOM 1600 CG ASN A 100 11.095 6.150 -11.445 1.00 0.00 C ATOM 1601 OD1 ASN A 100 10.765 7.150 -12.082 1.00 0.00 O ATOM 1602 ND2 ASN A 100 11.860 5.194 -11.958 1.00 0.00 N ATOM 0 H ASN A 100 12.332 4.187 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 100 12.298 7.066 -9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.224 4.951 -9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.832 6.656 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.199 5.272 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.109 4.382 -11.393 1.00 0.00 H new ATOM 1609 N GLU A 101 11.106 7.531 -7.124 1.00 0.00 N ATOM 1610 CA GLU A 101 10.636 7.802 -5.773 1.00 0.00 C ATOM 1611 C GLU A 101 9.140 7.581 -5.621 1.00 0.00 C ATOM 1612 O GLU A 101 8.338 8.007 -6.454 1.00 0.00 O ATOM 1613 CB GLU A 101 10.996 9.229 -5.366 1.00 0.00 C ATOM 1614 CG GLU A 101 12.246 9.304 -4.509 1.00 0.00 C ATOM 1615 CD GLU A 101 11.942 9.616 -3.056 1.00 0.00 C ATOM 1616 OE1 GLU A 101 11.552 8.686 -2.319 1.00 0.00 O ATOM 1617 OE2 GLU A 101 12.094 10.789 -2.656 1.00 0.00 O ATOM 0 H GLU A 101 11.332 8.365 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 101 11.136 7.093 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.141 9.831 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.161 9.667 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.780 8.356 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.911 10.070 -4.909 1.00 0.00 H new ATOM 1624 N LEU A 102 8.784 6.917 -4.531 1.00 0.00 N ATOM 1625 CA LEU A 102 7.396 6.626 -4.213 1.00 0.00 C ATOM 1626 C LEU A 102 7.184 6.711 -2.703 1.00 0.00 C ATOM 1627 O LEU A 102 7.699 5.887 -1.947 1.00 0.00 O ATOM 1628 CB LEU A 102 7.031 5.239 -4.741 1.00 0.00 C ATOM 1629 CG LEU A 102 5.531 4.962 -4.886 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.227 4.312 -6.227 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.038 4.089 -3.744 1.00 0.00 C ATOM 0 H LEU A 102 9.450 6.565 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 102 6.746 7.359 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.503 5.104 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.458 4.491 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 102 5.003 5.915 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.156 4.125 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.540 4.976 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.767 3.368 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.971 3.902 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.575 3.141 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.214 4.597 -2.796 1.00 0.00 H new ATOM 1643 N ASN A 103 6.448 7.730 -2.269 1.00 0.00 N ATOM 1644 CA ASN A 103 6.194 7.947 -0.849 1.00 0.00 C ATOM 1645 C ASN A 103 4.770 7.574 -0.466 1.00 0.00 C ATOM 1646 O ASN A 103 3.854 7.632 -1.286 1.00 0.00 O ATOM 1647 CB ASN A 103 6.450 9.411 -0.480 1.00 0.00 C ATOM 1648 CG ASN A 103 7.655 9.993 -1.196 1.00 0.00 C ATOM 1649 OD1 ASN A 103 7.566 10.399 -2.355 1.00 0.00 O ATOM 1650 ND2 ASN A 103 8.789 10.037 -0.507 1.00 0.00 N ATOM 0 H ASN A 103 6.016 8.420 -2.883 1.00 0.00 H new ATOM 0 HA ASN A 103 6.877 7.302 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.567 10.002 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.599 9.489 0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.632 10.419 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.817 9.689 0.451 1.00 0.00 H new ATOM 1657 N THR A 104 4.598 7.207 0.797 1.00 0.00 N ATOM 1658 CA THR A 104 3.290 6.837 1.324 1.00 0.00 C ATOM 1659 C THR A 104 3.157 7.271 2.779 1.00 0.00 C ATOM 1660 O THR A 104 3.886 6.797 3.649 1.00 0.00 O ATOM 1661 CB THR A 104 3.054 5.325 1.204 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.525 4.644 2.354 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.719 4.700 -0.006 1.00 0.00 C ATOM 0 H THR A 104 5.354 7.157 1.480 1.00 0.00 H new ATOM 0 HA THR A 104 2.534 7.351 0.731 1.00 0.00 H new ATOM 0 HB THR A 104 1.975 5.218 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.363 3.683 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.509 3.631 -0.025 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.331 5.162 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.796 4.857 0.049 1.00 0.00 H new ATOM 1671 N VAL A 105 2.217 8.173 3.034 1.00 0.00 N ATOM 1672 CA VAL A 105 1.982 8.672 4.381 1.00 0.00 C ATOM 1673 C VAL A 105 0.676 8.125 4.940 1.00 0.00 C ATOM 1674 O VAL A 105 -0.394 8.346 4.373 1.00 0.00 O ATOM 1675 CB VAL A 105 1.936 10.211 4.412 1.00 0.00 C ATOM 1676 CG1 VAL A 105 1.887 10.716 5.846 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.131 10.796 3.674 1.00 0.00 C ATOM 0 H VAL A 105 1.605 8.574 2.323 1.00 0.00 H new ATOM 0 HA VAL A 105 2.814 8.332 4.997 1.00 0.00 H new ATOM 0 HB VAL A 105 1.029 10.539 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.855 11.806 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.996 10.326 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.775 10.379 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.081 11.884 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.052 10.460 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.116 10.463 2.636 1.00 0.00 H new ATOM 1687 N ARG A 106 0.770 7.406 6.052 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.406 6.824 6.684 1.00 0.00 C ATOM 1689 C ARG A 106 -0.639 7.428 8.064 1.00 0.00 C ATOM 1690 O ARG A 106 0.179 7.268 8.970 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.248 5.307 6.798 1.00 0.00 C ATOM 1692 CG ARG A 106 -0.204 4.597 5.455 1.00 0.00 C ATOM 1693 CD ARG A 106 -0.754 3.183 5.553 1.00 0.00 C ATOM 1694 NE ARG A 106 -0.263 2.328 4.475 1.00 0.00 N ATOM 1695 CZ ARG A 106 -0.580 1.042 4.347 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -1.386 0.459 5.225 1.00 0.00 N ATOM 1697 NH2 ARG A 106 -0.090 0.337 3.336 1.00 0.00 N ATOM 0 H ARG A 106 1.648 7.213 6.534 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.272 7.048 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.667 5.086 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.075 4.907 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.781 5.163 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.824 4.564 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.474 2.751 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.843 3.215 5.523 1.00 0.00 H new ATOM 0 HE ARG A 106 0.359 2.741 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.766 0.997 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.625 -0.527 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.529 0.781 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.332 -0.649 3.237 1.00 0.00 H new ATOM 1711 N GLU A 107 -1.765 8.116 8.218 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.112 8.738 9.490 1.00 0.00 C ATOM 1713 C GLU A 107 -3.356 8.086 10.078 1.00 0.00 C ATOM 1714 O GLU A 107 -4.335 7.846 9.372 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.354 10.241 9.319 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.481 10.896 8.258 1.00 0.00 C ATOM 1717 CD GLU A 107 -1.938 10.587 6.847 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -2.887 11.245 6.373 1.00 0.00 O ATOM 1719 OE2 GLU A 107 -1.346 9.688 6.214 1.00 0.00 O ATOM 0 H GLU A 107 -2.453 8.257 7.478 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.273 8.594 10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.401 10.402 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.180 10.737 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.484 11.976 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.452 10.560 8.383 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.315 7.807 11.374 1.00 0.00 N ATOM 1727 CA ILE A 108 -4.444 7.187 12.052 1.00 0.00 C ATOM 1728 C ILE A 108 -5.485 8.234 12.425 1.00 0.00 C ATOM 1729 O ILE A 108 -5.357 8.917 13.441 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.006 6.435 13.326 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -2.806 5.520 13.030 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -5.173 5.644 13.907 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.163 4.222 12.327 1.00 0.00 C ATOM 0 H ILE A 108 -2.514 8.000 11.975 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.876 6.467 11.357 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.692 7.167 14.070 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.091 6.067 12.415 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.305 5.284 13.969 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.846 5.120 14.805 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.985 6.326 14.160 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -5.524 4.920 13.172 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.258 3.639 12.158 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.852 3.650 12.948 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.635 4.444 11.370 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.515 8.355 11.596 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.578 9.316 11.834 1.00 0.00 C ATOM 1747 C ILE A 109 -8.688 8.679 12.650 1.00 0.00 C ATOM 1748 O ILE A 109 -9.853 8.644 12.250 1.00 0.00 O ATOM 1749 CB ILE A 109 -8.131 9.858 10.502 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -8.786 11.223 10.705 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.112 8.870 9.891 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -7.898 12.219 11.419 1.00 0.00 C ATOM 0 H ILE A 109 -6.634 7.796 10.751 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.166 10.153 12.397 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.299 9.984 9.809 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.067 11.630 9.734 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.706 11.094 11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.493 9.269 8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.606 7.923 9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.942 8.709 10.579 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.428 13.165 11.529 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.637 11.833 12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.989 12.377 10.839 1.00 0.00 H new ATOM 1764 N GLY A 110 -8.310 8.156 13.792 1.00 0.00 N ATOM 1765 CA GLY A 110 -9.266 7.504 14.636 1.00 0.00 C ATOM 1766 C GLY A 110 -9.428 6.056 14.256 1.00 0.00 C ATOM 1767 O GLY A 110 -8.448 5.319 14.144 1.00 0.00 O ATOM 0 H GLY A 110 -7.355 8.172 14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.947 7.577 15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.227 8.012 14.562 1.00 0.00 H new ATOM 1771 N ASP A 111 -10.661 5.654 14.032 1.00 0.00 N ATOM 1772 CA ASP A 111 -10.949 4.287 13.631 1.00 0.00 C ATOM 1773 C ASP A 111 -10.668 4.094 12.140 1.00 0.00 C ATOM 1774 O ASP A 111 -10.687 2.969 11.639 1.00 0.00 O ATOM 1775 CB ASP A 111 -12.406 3.936 13.939 1.00 0.00 C ATOM 1776 CG ASP A 111 -12.639 3.681 15.415 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -11.887 2.877 16.005 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -13.575 4.284 15.982 1.00 0.00 O ATOM 0 H ASP A 111 -11.483 6.252 14.120 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.299 3.621 14.198 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.051 4.750 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.692 3.051 13.371 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.416 5.198 11.430 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.145 5.143 10.001 1.00 0.00 C ATOM 1785 C GLU A 112 -8.694 5.512 9.709 1.00 0.00 C ATOM 1786 O GLU A 112 -7.999 6.061 10.564 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.075 6.103 9.258 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.558 5.801 9.427 1.00 0.00 C ATOM 1789 CD GLU A 112 -12.960 5.510 10.860 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -12.923 6.444 11.688 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -13.311 4.348 11.154 1.00 0.00 O ATOM 0 H GLU A 112 -10.395 6.137 11.827 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.321 4.123 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.882 7.118 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.830 6.077 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.137 6.649 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.819 4.945 8.805 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.243 5.215 8.494 1.00 0.00 N ATOM 1799 CA LEU A 113 -6.878 5.531 8.094 1.00 0.00 C ATOM 1800 C LEU A 113 -6.861 6.443 6.871 1.00 0.00 C ATOM 1801 O LEU A 113 -7.486 6.146 5.853 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.096 4.249 7.789 1.00 0.00 C ATOM 1803 CG LEU A 113 -4.749 4.117 8.501 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -3.905 5.369 8.309 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -4.962 3.831 9.978 1.00 0.00 C ATOM 0 H LEU A 113 -8.801 4.758 7.773 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.403 6.052 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.715 3.393 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.926 4.194 6.714 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.207 3.280 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.953 5.249 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.724 5.526 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.433 6.230 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.996 3.739 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.525 4.648 10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.518 2.900 10.092 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.116 7.536 6.968 1.00 0.00 N ATOM 1818 CA VAL A 114 -5.985 8.473 5.859 1.00 0.00 C ATOM 1819 C VAL A 114 -4.602 8.319 5.238 1.00 0.00 C ATOM 1820 O VAL A 114 -3.597 8.694 5.840 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.201 9.937 6.314 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.427 10.230 7.592 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -5.813 10.915 5.211 1.00 0.00 C ATOM 0 H VAL A 114 -5.593 7.796 7.804 1.00 0.00 H new ATOM 0 HA VAL A 114 -6.756 8.244 5.123 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.263 10.068 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.596 11.265 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.768 9.564 8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.363 10.072 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.974 11.936 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.761 10.780 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.425 10.730 4.328 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.552 7.733 4.047 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.282 7.498 3.372 1.00 0.00 C ATOM 1835 C GLN A 115 -3.055 8.457 2.210 1.00 0.00 C ATOM 1836 O GLN A 115 -3.971 8.767 1.449 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.214 6.055 2.873 1.00 0.00 C ATOM 1838 CG GLN A 115 -3.439 5.023 3.967 1.00 0.00 C ATOM 1839 CD GLN A 115 -4.577 4.072 3.653 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -4.354 2.937 3.233 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -5.806 4.532 3.857 1.00 0.00 N ATOM 0 H GLN A 115 -5.372 7.413 3.531 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.492 7.677 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.961 5.914 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.239 5.882 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.523 4.450 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.648 5.535 4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -5.944 5.480 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.612 3.937 3.664 1.00 0.00 H new ATOM 1850 N THR A 116 -1.810 8.899 2.079 1.00 0.00 N ATOM 1851 CA THR A 116 -1.404 9.804 1.010 1.00 0.00 C ATOM 1852 C THR A 116 -0.108 9.299 0.391 1.00 0.00 C ATOM 1853 O THR A 116 0.939 9.295 1.038 1.00 0.00 O ATOM 1854 CB THR A 116 -1.218 11.223 1.548 1.00 0.00 C ATOM 1855 OG1 THR A 116 -1.897 11.387 2.780 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.719 12.293 0.602 1.00 0.00 C ATOM 0 H THR A 116 -1.053 8.640 2.711 1.00 0.00 H new ATOM 0 HA THR A 116 -2.184 9.831 0.249 1.00 0.00 H new ATOM 0 HB THR A 116 -0.142 11.345 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.764 12.301 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.557 13.276 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.178 12.227 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.784 12.148 0.420 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.185 8.861 -0.857 1.00 0.00 N ATOM 1865 CA TYR A 117 0.977 8.339 -1.553 1.00 0.00 C ATOM 1866 C TYR A 117 1.409 9.296 -2.650 1.00 0.00 C ATOM 1867 O TYR A 117 0.599 10.074 -3.150 1.00 0.00 O ATOM 1868 CB TYR A 117 0.657 6.971 -2.165 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.062 6.013 -1.235 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.356 6.267 -0.787 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.557 4.843 -0.813 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -2.005 5.384 0.055 1.00 0.00 C ATOM 1873 CE2 TYR A 117 -0.088 3.956 0.028 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.367 4.231 0.459 1.00 0.00 C ATOM 1875 OH TYR A 117 -2.011 3.350 1.297 1.00 0.00 O ATOM 0 H TYR A 117 -1.043 8.858 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 117 1.789 8.230 -0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.045 7.120 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.588 6.508 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.860 7.168 -1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.560 4.623 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.008 5.597 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.409 3.051 0.346 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.879 3.722 1.559 1.00 0.00 H new ATOM 1885 N VAL A 118 2.678 9.226 -3.038 1.00 0.00 N ATOM 1886 CA VAL A 118 3.189 10.079 -4.093 1.00 0.00 C ATOM 1887 C VAL A 118 4.332 9.400 -4.847 1.00 0.00 C ATOM 1888 O VAL A 118 5.231 8.827 -4.239 1.00 0.00 O ATOM 1889 CB VAL A 118 3.674 11.438 -3.551 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.920 11.272 -2.692 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.935 12.393 -4.704 1.00 0.00 C ATOM 0 H VAL A 118 3.366 8.588 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 118 2.359 10.255 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 118 2.892 11.858 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.240 12.246 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.696 10.620 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.718 10.830 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.277 13.351 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.700 11.974 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.015 12.540 -5.270 1.00 0.00 H new ATOM 1901 N TYR A 119 4.294 9.473 -6.173 1.00 0.00 N ATOM 1902 CA TYR A 119 5.332 8.869 -7.000 1.00 0.00 C ATOM 1903 C TYR A 119 5.543 9.682 -8.274 1.00 0.00 C ATOM 1904 O TYR A 119 4.645 9.787 -9.110 1.00 0.00 O ATOM 1905 CB TYR A 119 4.973 7.417 -7.332 1.00 0.00 C ATOM 1906 CG TYR A 119 5.806 6.810 -8.435 1.00 0.00 C ATOM 1907 CD1 TYR A 119 6.998 6.170 -8.149 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.397 6.877 -9.758 1.00 0.00 C ATOM 1909 CE1 TYR A 119 7.764 5.609 -9.147 1.00 0.00 C ATOM 1910 CE2 TYR A 119 6.159 6.318 -10.767 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.341 5.685 -10.456 1.00 0.00 C ATOM 1912 OH TYR A 119 8.104 5.131 -11.458 1.00 0.00 O ATOM 0 H TYR A 119 3.557 9.944 -6.698 1.00 0.00 H new ATOM 0 HA TYR A 119 6.267 8.870 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.085 6.812 -6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.922 7.371 -7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.334 6.109 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.470 7.373 -10.004 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.692 5.112 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 119 5.829 6.378 -11.794 1.00 0.00 H new ATOM 0 HH TYR A 119 7.619 5.187 -12.308 1.00 0.00 H new ATOM 1922 N GLU A 120 6.742 10.255 -8.402 1.00 0.00 N ATOM 1923 CA GLU A 120 7.118 11.077 -9.557 1.00 0.00 C ATOM 1924 C GLU A 120 5.904 11.699 -10.244 1.00 0.00 C ATOM 1925 O GLU A 120 5.340 11.120 -11.171 1.00 0.00 O ATOM 1926 CB GLU A 120 7.907 10.241 -10.562 1.00 0.00 C ATOM 1927 CG GLU A 120 8.764 9.170 -9.913 1.00 0.00 C ATOM 1928 CD GLU A 120 9.684 9.725 -8.842 1.00 0.00 C ATOM 1929 OE1 GLU A 120 9.207 9.961 -7.712 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.882 9.925 -9.134 1.00 0.00 O ATOM 0 H GLU A 120 7.482 10.162 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 120 7.739 11.891 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.212 9.769 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.546 10.900 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.118 8.411 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.362 8.675 -10.679 1.00 0.00 H new ATOM 1937 N GLY A 121 5.516 12.886 -9.791 1.00 0.00 N ATOM 1938 CA GLY A 121 4.381 13.571 -10.382 1.00 0.00 C ATOM 1939 C GLY A 121 3.037 12.971 -10.007 1.00 0.00 C ATOM 1940 O GLY A 121 1.993 13.536 -10.329 1.00 0.00 O ATOM 0 H GLY A 121 5.967 13.386 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.400 14.617 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.485 13.556 -11.467 1.00 0.00 H new ATOM 1944 N VAL A 122 3.055 11.824 -9.340 1.00 0.00 N ATOM 1945 CA VAL A 122 1.824 11.156 -8.944 1.00 0.00 C ATOM 1946 C VAL A 122 1.584 11.271 -7.447 1.00 0.00 C ATOM 1947 O VAL A 122 2.522 11.230 -6.657 1.00 0.00 O ATOM 1948 CB VAL A 122 1.865 9.668 -9.332 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.506 9.018 -9.162 1.00 0.00 C ATOM 1950 CG2 VAL A 122 2.355 9.509 -10.757 1.00 0.00 C ATOM 0 H VAL A 122 3.908 11.338 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 122 1.007 11.651 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 122 2.562 9.164 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.568 7.967 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.193 9.097 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.221 9.523 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.379 8.451 -11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.682 10.034 -11.434 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.358 9.927 -10.846 1.00 0.00 H new ATOM 1960 N GLU A 123 0.321 11.406 -7.064 1.00 0.00 N ATOM 1961 CA GLU A 123 -0.047 11.511 -5.665 1.00 0.00 C ATOM 1962 C GLU A 123 -1.479 11.036 -5.462 1.00 0.00 C ATOM 1963 O GLU A 123 -2.421 11.627 -5.990 1.00 0.00 O ATOM 1964 CB GLU A 123 0.114 12.946 -5.173 1.00 0.00 C ATOM 1965 CG GLU A 123 0.570 13.030 -3.730 1.00 0.00 C ATOM 1966 CD GLU A 123 1.427 14.249 -3.454 1.00 0.00 C ATOM 1967 OE1 GLU A 123 2.023 14.785 -4.413 1.00 0.00 O ATOM 1968 OE2 GLU A 123 1.503 14.669 -2.280 1.00 0.00 O ATOM 0 H GLU A 123 -0.467 11.445 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 123 0.619 10.874 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.835 13.463 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.836 13.469 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.304 13.051 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.133 12.131 -3.479 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.636 9.952 -4.709 1.00 0.00 N ATOM 1976 CA ALA A 124 -2.955 9.389 -4.458 1.00 0.00 C ATOM 1977 C ALA A 124 -3.275 9.340 -2.971 1.00 0.00 C ATOM 1978 O ALA A 124 -2.412 9.059 -2.146 1.00 0.00 O ATOM 1979 CB ALA A 124 -3.057 7.995 -5.072 1.00 0.00 C ATOM 0 H ALA A 124 -0.869 9.449 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.690 10.042 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.048 7.584 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.895 8.059 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.302 7.346 -4.629 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.536 9.595 -2.644 1.00 0.00 N ATOM 1986 CA LYS A 125 -4.994 9.561 -1.263 1.00 0.00 C ATOM 1987 C LYS A 125 -5.863 8.329 -1.066 1.00 0.00 C ATOM 1988 O LYS A 125 -6.284 7.708 -2.043 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.784 10.828 -0.926 1.00 0.00 C ATOM 1990 CG LYS A 125 -4.950 11.897 -0.239 1.00 0.00 C ATOM 1991 CD LYS A 125 -5.277 13.285 -0.765 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.819 13.458 -2.204 1.00 0.00 C ATOM 1993 NZ LYS A 125 -4.255 14.814 -2.449 1.00 0.00 N ATOM 0 H LYS A 125 -5.262 9.829 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.133 9.516 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.204 11.240 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.623 10.563 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.128 11.863 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.891 11.689 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -6.352 13.455 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.797 14.036 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.067 12.705 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.661 13.288 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.955 14.891 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.980 15.533 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.436 14.967 -1.827 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.118 7.948 0.180 1.00 0.00 N ATOM 2008 CA ARG A 126 -6.920 6.759 0.423 1.00 0.00 C ATOM 2009 C ARG A 126 -7.493 6.703 1.837 1.00 0.00 C ATOM 2010 O ARG A 126 -6.755 6.703 2.822 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.069 5.515 0.162 1.00 0.00 C ATOM 2012 CG ARG A 126 -6.818 4.208 0.357 1.00 0.00 C ATOM 2013 CD ARG A 126 -5.889 3.008 0.257 1.00 0.00 C ATOM 2014 NE ARG A 126 -6.002 2.134 1.423 1.00 0.00 N ATOM 2015 CZ ARG A 126 -5.789 0.821 1.393 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -5.426 0.221 0.265 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -5.933 0.104 2.499 1.00 0.00 N ATOM 0 H ARG A 126 -5.791 8.431 1.017 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.769 6.797 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.687 5.555 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.205 5.531 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.306 4.210 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.604 4.123 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.122 2.442 -0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.860 3.353 0.160 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.260 2.557 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.308 0.767 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.265 -0.786 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.206 0.559 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.770 -0.903 2.479 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.818 6.606 1.917 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.508 6.490 3.195 1.00 0.00 C ATOM 2033 C ILE A 127 -9.678 5.015 3.525 1.00 0.00 C ATOM 2034 O ILE A 127 -9.919 4.198 2.633 1.00 0.00 O ATOM 2035 CB ILE A 127 -10.893 7.167 3.184 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -10.893 8.395 2.271 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.301 7.551 4.598 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -9.993 9.506 2.748 1.00 0.00 C ATOM 0 H ILE A 127 -9.436 6.606 1.106 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.904 6.998 3.947 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.620 6.456 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.583 8.093 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -11.911 8.775 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.281 8.028 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.346 6.656 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.569 8.244 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.046 10.342 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.315 9.837 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -8.966 9.144 2.804 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.515 4.662 4.790 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.610 3.266 5.190 1.00 0.00 C ATOM 2052 C PHE A 128 -10.731 2.998 6.194 1.00 0.00 C ATOM 2053 O PHE A 128 -11.114 3.865 6.979 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.275 2.821 5.786 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.375 1.560 6.586 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.437 0.338 5.952 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.433 1.599 7.970 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.555 -0.818 6.673 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.544 0.432 8.700 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.607 -0.778 8.049 1.00 0.00 C ATOM 0 H PHE A 128 -9.319 5.313 5.550 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.849 2.694 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.556 2.676 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.886 3.616 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.392 0.293 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.391 2.549 8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.608 -1.767 6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.581 0.469 9.779 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.697 -1.694 8.615 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.213 1.755 6.171 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.252 1.291 7.081 1.00 0.00 C ATOM 2072 C LYS A 129 -11.971 -0.158 7.450 1.00 0.00 C ATOM 2073 O LYS A 129 -11.241 -0.850 6.744 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.639 1.417 6.450 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.967 2.824 5.981 1.00 0.00 C ATOM 2076 CD LYS A 129 -14.230 3.755 7.153 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.719 3.926 7.406 1.00 0.00 C ATOM 2078 NZ LYS A 129 -16.436 2.621 7.405 1.00 0.00 N ATOM 0 H LYS A 129 -10.890 1.042 5.517 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.241 1.912 7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.707 0.735 5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.389 1.100 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.141 3.212 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.843 2.798 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.751 3.359 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.780 4.728 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -15.870 4.422 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -16.145 4.575 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -17.423 2.767 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -16.415 2.214 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.971 1.969 8.069 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.530 -0.618 8.555 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.299 -1.991 8.988 1.00 0.00 C ATOM 2094 C LYS A 130 -13.537 -2.860 8.806 1.00 0.00 C ATOM 2095 O LYS A 130 -14.667 -2.374 8.848 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.845 -2.027 10.443 1.00 0.00 C ATOM 2097 CG LYS A 130 -10.905 -0.893 10.822 1.00 0.00 C ATOM 2098 CD LYS A 130 -10.543 -0.938 12.297 1.00 0.00 C ATOM 2099 CE LYS A 130 -9.193 -1.600 12.520 1.00 0.00 C ATOM 2100 NZ LYS A 130 -8.102 -0.598 12.675 1.00 0.00 N ATOM 0 H LYS A 130 -13.140 -0.072 9.164 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.509 -2.399 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.723 -1.990 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.348 -2.978 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -9.997 -0.956 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -11.375 0.063 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.523 0.075 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.312 -1.483 12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.239 -2.227 13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.967 -2.256 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -7.300 -0.861 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.452 0.342 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.792 -0.574 13.667 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.305 -4.153 8.605 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.385 -5.110 8.416 1.00 0.00 C ATOM 2116 C ASP A 131 -15.288 -5.165 9.645 1.00 0.00 C ATOM 2117 O ASP A 131 -16.490 -4.857 9.509 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.807 -6.497 8.128 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.805 -7.411 7.445 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -15.117 -7.168 6.260 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -15.274 -8.369 8.094 1.00 0.00 O ATOM 2122 OXT ASP A 131 -14.784 -5.516 10.732 1.00 0.35 O ATOM 0 H ASP A 131 -12.372 -4.563 8.569 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.986 -4.786 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.923 -6.395 7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.482 -6.953 9.063 1.00 0.00 H new