USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1071 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 109 THR OG1 : rot 159:sc= 0.194 USER MOD Set 1.2: A 111 ASN : amide:sc= -2.35 K(o=-2.2,f=-7.4!) USER MOD Set 2.1: A 96 TYR OH : rot 180:sc= 0.443 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 160:sc= 0.41 (180deg=-0.434) USER MOD Set 3.1: A 25 SER OG : rot -72:sc= 0.634 USER MOD Set 3.2: A 120 LYS NZ :NH3+ -170:sc= 0.189 (180deg=-0.322) USER MOD Single : A 3 THR OG1 : rot -170:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 141:sc= 0.471 (180deg=0.00967) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.253) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= -0.0297 USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0.885 (180deg=0.587) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= 0.756 (180deg=-0.00505) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0.904 (180deg=0.885) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0.109 (180deg=-0.0758) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 72 TYR OH : rot 129:sc= 0.00107 USER MOD Single : A 74 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= 0.452 (180deg=0.314) USER MOD Single : A 84 MET CE :methyl -102:sc= -0.765 (180deg=-1.64) USER MOD Single : A 87 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 89 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.8) USER MOD Single : A 98 GLN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 101 LYS NZ :NH3+ -125:sc= 0.909 (180deg=-0.0448) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0.726 (180deg=0.718) USER MOD Single : A 117 LYS NZ :NH3+ -140:sc= 0.602 (180deg=0.0408) USER MOD Single : A 125 LYS NZ :NH3+ -168:sc= 0.525 (180deg=0.312) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 2.049 14.203 -0.732 1.00 51.13 N ATOM 21 CA GLY A 2 2.711 12.922 -0.981 1.00 13.12 C ATOM 22 C GLY A 2 2.053 11.823 -0.151 1.00 42.24 C ATOM 23 O GLY A 2 1.921 11.966 1.070 1.00 61.34 O ATOM 0 HA2 GLY A 2 2.652 12.673 -2.041 1.00 13.12 H new ATOM 0 HA3 GLY A 2 3.769 12.995 -0.729 1.00 13.12 H new ATOM 27 N THR A 3 1.606 10.741 -0.797 1.00 33.41 N ATOM 28 CA THR A 3 0.770 9.719 -0.155 1.00 21.24 C ATOM 29 C THR A 3 1.244 8.311 -0.565 1.00 40.54 C ATOM 30 O THR A 3 1.342 8.020 -1.749 1.00 23.33 O ATOM 31 CB THR A 3 -0.721 9.951 -0.568 1.00 45.14 C ATOM 32 OG1 THR A 3 -1.102 11.311 -0.272 1.00 21.15 O ATOM 33 CG2 THR A 3 -1.679 8.999 0.148 1.00 31.32 C ATOM 0 H THR A 3 1.812 10.549 -1.777 1.00 33.41 H new ATOM 0 HA THR A 3 0.855 9.797 0.929 1.00 21.24 H new ATOM 0 HB THR A 3 -0.792 9.755 -1.638 1.00 45.14 H new ATOM 0 HG1 THR A 3 -2.071 11.411 -0.382 1.00 21.15 H new ATOM 0 HG21 THR A 3 -2.701 9.201 -0.173 1.00 31.32 H new ATOM 0 HG22 THR A 3 -1.419 7.969 -0.096 1.00 31.32 H new ATOM 0 HG23 THR A 3 -1.602 9.147 1.225 1.00 31.32 H new ATOM 41 N VAL A 4 1.544 7.456 0.431 1.00 73.33 N ATOM 42 CA VAL A 4 2.115 6.114 0.208 1.00 42.33 C ATOM 43 C VAL A 4 1.085 5.019 0.559 1.00 64.52 C ATOM 44 O VAL A 4 0.776 4.793 1.723 1.00 3.42 O ATOM 45 CB VAL A 4 3.428 5.925 1.064 1.00 35.23 C ATOM 46 CG1 VAL A 4 4.089 4.554 0.798 1.00 52.34 C ATOM 47 CG2 VAL A 4 4.424 7.080 0.804 1.00 2.04 C ATOM 0 H VAL A 4 1.397 7.677 1.416 1.00 73.33 H new ATOM 0 HA VAL A 4 2.370 6.022 -0.848 1.00 42.33 H new ATOM 0 HB VAL A 4 3.142 5.950 2.116 1.00 35.23 H new ATOM 0 HG11 VAL A 4 4.990 4.460 1.405 1.00 52.34 H new ATOM 0 HG12 VAL A 4 3.392 3.757 1.058 1.00 52.34 H new ATOM 0 HG13 VAL A 4 4.352 4.476 -0.257 1.00 52.34 H new ATOM 0 HG21 VAL A 4 5.321 6.929 1.404 1.00 2.04 H new ATOM 0 HG22 VAL A 4 4.693 7.098 -0.252 1.00 2.04 H new ATOM 0 HG23 VAL A 4 3.961 8.028 1.076 1.00 2.04 H new ATOM 57 N VAL A 5 0.546 4.361 -0.471 1.00 64.41 N ATOM 58 CA VAL A 5 -0.415 3.257 -0.329 1.00 14.24 C ATOM 59 C VAL A 5 0.345 1.913 -0.377 1.00 40.35 C ATOM 60 O VAL A 5 0.895 1.556 -1.414 1.00 22.35 O ATOM 61 CB VAL A 5 -1.514 3.329 -1.464 1.00 13.42 C ATOM 62 CG1 VAL A 5 -2.542 2.174 -1.354 1.00 41.40 C ATOM 63 CG2 VAL A 5 -2.221 4.713 -1.465 1.00 51.11 C ATOM 0 H VAL A 5 0.766 4.581 -1.442 1.00 64.41 H new ATOM 0 HA VAL A 5 -0.926 3.341 0.630 1.00 14.24 H new ATOM 0 HB VAL A 5 -1.001 3.208 -2.418 1.00 13.42 H new ATOM 0 HG11 VAL A 5 -3.277 2.264 -2.154 1.00 41.40 H new ATOM 0 HG12 VAL A 5 -2.026 1.218 -1.442 1.00 41.40 H new ATOM 0 HG13 VAL A 5 -3.047 2.227 -0.389 1.00 41.40 H new ATOM 0 HG21 VAL A 5 -2.972 4.737 -2.254 1.00 51.11 H new ATOM 0 HG22 VAL A 5 -2.702 4.876 -0.501 1.00 51.11 H new ATOM 0 HG23 VAL A 5 -1.485 5.497 -1.640 1.00 51.11 H new ATOM 73 N ILE A 6 0.390 1.188 0.760 1.00 61.42 N ATOM 74 CA ILE A 6 1.129 -0.090 0.878 1.00 20.21 C ATOM 75 C ILE A 6 0.155 -1.267 0.713 1.00 12.23 C ATOM 76 O ILE A 6 -0.642 -1.550 1.599 1.00 61.24 O ATOM 77 CB ILE A 6 1.889 -0.190 2.262 1.00 24.22 C ATOM 78 CG1 ILE A 6 2.929 0.967 2.403 1.00 14.11 C ATOM 79 CG2 ILE A 6 2.576 -1.572 2.455 1.00 64.31 C ATOM 80 CD1 ILE A 6 3.989 0.997 1.310 1.00 25.15 C ATOM 0 H ILE A 6 -0.082 1.469 1.619 1.00 61.42 H new ATOM 0 HA ILE A 6 1.879 -0.129 0.088 1.00 20.21 H new ATOM 0 HB ILE A 6 1.142 -0.089 3.049 1.00 24.22 H new ATOM 0 HG12 ILE A 6 2.398 1.919 2.403 1.00 14.11 H new ATOM 0 HG13 ILE A 6 3.424 0.878 3.370 1.00 14.11 H new ATOM 0 HG21 ILE A 6 3.085 -1.594 3.419 1.00 64.31 H new ATOM 0 HG22 ILE A 6 1.823 -2.360 2.424 1.00 64.31 H new ATOM 0 HG23 ILE A 6 3.302 -1.732 1.658 1.00 64.31 H new ATOM 0 HD11 ILE A 6 4.669 1.831 1.485 1.00 25.15 H new ATOM 0 HD12 ILE A 6 4.550 0.063 1.322 1.00 25.15 H new ATOM 0 HD13 ILE A 6 3.508 1.119 0.340 1.00 25.15 H new ATOM 92 N VAL A 7 0.216 -1.923 -0.443 1.00 41.14 N ATOM 93 CA VAL A 7 -0.623 -3.079 -0.772 1.00 53.13 C ATOM 94 C VAL A 7 0.220 -4.361 -0.643 1.00 31.24 C ATOM 95 O VAL A 7 1.208 -4.531 -1.357 1.00 65.30 O ATOM 96 CB VAL A 7 -1.214 -2.953 -2.226 1.00 4.13 C ATOM 97 CG1 VAL A 7 -2.103 -4.164 -2.581 1.00 24.44 C ATOM 98 CG2 VAL A 7 -1.989 -1.621 -2.392 1.00 54.44 C ATOM 0 H VAL A 7 0.859 -1.665 -1.191 1.00 41.14 H new ATOM 0 HA VAL A 7 -1.463 -3.120 -0.078 1.00 53.13 H new ATOM 0 HB VAL A 7 -0.378 -2.947 -2.926 1.00 4.13 H new ATOM 0 HG11 VAL A 7 -2.494 -4.044 -3.591 1.00 24.44 H new ATOM 0 HG12 VAL A 7 -1.511 -5.078 -2.527 1.00 24.44 H new ATOM 0 HG13 VAL A 7 -2.932 -4.226 -1.876 1.00 24.44 H new ATOM 0 HG21 VAL A 7 -2.388 -1.556 -3.404 1.00 54.44 H new ATOM 0 HG22 VAL A 7 -2.810 -1.586 -1.675 1.00 54.44 H new ATOM 0 HG23 VAL A 7 -1.315 -0.783 -2.213 1.00 54.44 H new ATOM 108 N VAL A 8 -0.170 -5.230 0.298 1.00 60.23 N ATOM 109 CA VAL A 8 0.526 -6.490 0.598 1.00 42.51 C ATOM 110 C VAL A 8 -0.335 -7.671 0.117 1.00 31.32 C ATOM 111 O VAL A 8 -1.422 -7.906 0.659 1.00 41.14 O ATOM 112 CB VAL A 8 0.803 -6.611 2.152 1.00 62.41 C ATOM 113 CG1 VAL A 8 1.455 -7.969 2.522 1.00 72.55 C ATOM 114 CG2 VAL A 8 1.662 -5.418 2.654 1.00 12.42 C ATOM 0 H VAL A 8 -0.992 -5.076 0.883 1.00 60.23 H new ATOM 0 HA VAL A 8 1.484 -6.504 0.079 1.00 42.51 H new ATOM 0 HB VAL A 8 -0.161 -6.574 2.659 1.00 62.41 H new ATOM 0 HG11 VAL A 8 1.627 -8.009 3.598 1.00 72.55 H new ATOM 0 HG12 VAL A 8 0.791 -8.783 2.231 1.00 72.55 H new ATOM 0 HG13 VAL A 8 2.405 -8.071 1.998 1.00 72.55 H new ATOM 0 HG21 VAL A 8 1.840 -5.522 3.724 1.00 12.42 H new ATOM 0 HG22 VAL A 8 2.616 -5.409 2.127 1.00 12.42 H new ATOM 0 HG23 VAL A 8 1.134 -4.484 2.463 1.00 12.42 H new ATOM 124 N SER A 9 0.129 -8.368 -0.939 1.00 35.14 N ATOM 125 CA SER A 9 -0.486 -9.615 -1.417 1.00 21.23 C ATOM 126 C SER A 9 0.617 -10.573 -1.908 1.00 44.23 C ATOM 127 O SER A 9 1.300 -10.300 -2.898 1.00 21.12 O ATOM 128 CB SER A 9 -1.537 -9.348 -2.529 1.00 43.41 C ATOM 129 OG SER A 9 -2.569 -8.480 -2.076 1.00 14.55 O ATOM 0 H SER A 9 0.942 -8.079 -1.483 1.00 35.14 H new ATOM 0 HA SER A 9 -1.020 -10.080 -0.589 1.00 21.23 H new ATOM 0 HB2 SER A 9 -1.046 -8.908 -3.397 1.00 43.41 H new ATOM 0 HB3 SER A 9 -1.972 -10.293 -2.854 1.00 43.41 H new ATOM 0 HG SER A 9 -3.213 -8.331 -2.800 1.00 14.55 H new ATOM 135 N ARG A 10 0.786 -11.684 -1.172 1.00 22.21 N ATOM 136 CA ARG A 10 1.770 -12.766 -1.448 1.00 12.11 C ATOM 137 C ARG A 10 1.404 -13.543 -2.735 1.00 44.45 C ATOM 138 O ARG A 10 2.236 -14.269 -3.298 1.00 72.22 O ATOM 139 CB ARG A 10 1.786 -13.692 -0.207 1.00 13.21 C ATOM 140 CG ARG A 10 2.880 -14.769 -0.090 1.00 13.44 C ATOM 141 CD ARG A 10 2.639 -15.643 1.167 1.00 30.53 C ATOM 142 NE ARG A 10 3.795 -16.465 1.554 1.00 65.51 N ATOM 143 CZ ARG A 10 3.803 -17.330 2.586 1.00 1.40 C ATOM 144 NH1 ARG A 10 2.720 -17.507 3.343 1.00 60.44 N ATOM 145 NH2 ARG A 10 4.907 -18.001 2.874 1.00 44.01 N ATOM 0 H ARG A 10 0.227 -11.868 -0.339 1.00 22.21 H new ATOM 0 HA ARG A 10 2.762 -12.349 -1.621 1.00 12.11 H new ATOM 0 HB2 ARG A 10 1.855 -13.057 0.676 1.00 13.21 H new ATOM 0 HB3 ARG A 10 0.821 -14.197 -0.162 1.00 13.21 H new ATOM 0 HG2 ARG A 10 2.881 -15.395 -0.982 1.00 13.44 H new ATOM 0 HG3 ARG A 10 3.861 -14.297 -0.031 1.00 13.44 H new ATOM 0 HD2 ARG A 10 2.371 -14.995 2.002 1.00 30.53 H new ATOM 0 HD3 ARG A 10 1.786 -16.297 0.984 1.00 30.53 H new ATOM 0 HE ARG A 10 4.649 -16.374 1.003 1.00 65.51 H new ATOM 0 HH11 ARG A 10 1.868 -16.983 3.144 1.00 60.44 H new ATOM 0 HH12 ARG A 10 2.744 -18.166 4.121 1.00 60.44 H new ATOM 0 HH21 ARG A 10 5.749 -17.862 2.315 1.00 44.01 H new ATOM 0 HH22 ARG A 10 4.916 -18.657 3.655 1.00 44.01 H new ATOM 159 N ASP A 11 0.146 -13.379 -3.182 1.00 40.23 N ATOM 160 CA ASP A 11 -0.341 -13.892 -4.467 1.00 14.22 C ATOM 161 C ASP A 11 -0.214 -12.774 -5.526 1.00 71.21 C ATOM 162 O ASP A 11 -0.758 -11.675 -5.355 1.00 64.23 O ATOM 163 CB ASP A 11 -1.815 -14.357 -4.328 1.00 63.03 C ATOM 164 CG ASP A 11 -2.371 -15.039 -5.592 1.00 63.31 C ATOM 165 OD1 ASP A 11 -2.448 -16.284 -5.638 1.00 12.22 O ATOM 166 OD2 ASP A 11 -2.725 -14.336 -6.547 1.00 52.20 O ATOM 0 H ASP A 11 -0.567 -12.879 -2.651 1.00 40.23 H new ATOM 0 HA ASP A 11 0.254 -14.751 -4.778 1.00 14.22 H new ATOM 0 HB2 ASP A 11 -1.891 -15.049 -3.489 1.00 63.03 H new ATOM 0 HB3 ASP A 11 -2.437 -13.495 -4.087 1.00 63.03 H new ATOM 171 N GLU A 12 0.496 -13.085 -6.618 1.00 31.14 N ATOM 172 CA GLU A 12 0.828 -12.134 -7.702 1.00 60.32 C ATOM 173 C GLU A 12 -0.383 -11.860 -8.614 1.00 31.23 C ATOM 174 O GLU A 12 -0.503 -10.776 -9.204 1.00 13.22 O ATOM 175 CB GLU A 12 2.007 -12.717 -8.517 1.00 71.21 C ATOM 176 CG GLU A 12 2.598 -11.794 -9.595 1.00 62.45 C ATOM 177 CD GLU A 12 3.915 -12.343 -10.163 1.00 52.25 C ATOM 178 OE1 GLU A 12 5.001 -11.877 -9.741 1.00 20.25 O ATOM 179 OE2 GLU A 12 3.873 -13.255 -11.016 1.00 3.55 O ATOM 0 H GLU A 12 0.866 -14.021 -6.782 1.00 31.14 H new ATOM 0 HA GLU A 12 1.110 -11.177 -7.263 1.00 60.32 H new ATOM 0 HB2 GLU A 12 2.803 -12.990 -7.824 1.00 71.21 H new ATOM 0 HB3 GLU A 12 1.672 -13.637 -8.997 1.00 71.21 H new ATOM 0 HG2 GLU A 12 1.877 -11.673 -10.403 1.00 62.45 H new ATOM 0 HG3 GLU A 12 2.770 -10.805 -9.171 1.00 62.45 H new ATOM 186 N ARG A 13 -1.292 -12.840 -8.681 1.00 72.43 N ATOM 187 CA ARG A 13 -2.466 -12.805 -9.569 1.00 4.25 C ATOM 188 C ARG A 13 -3.531 -11.838 -9.005 1.00 34.32 C ATOM 189 O ARG A 13 -4.401 -11.363 -9.740 1.00 45.43 O ATOM 190 CB ARG A 13 -3.055 -14.239 -9.781 1.00 30.41 C ATOM 191 CG ARG A 13 -2.157 -15.233 -10.570 1.00 24.00 C ATOM 192 CD ARG A 13 -0.851 -15.642 -9.842 1.00 72.44 C ATOM 193 NE ARG A 13 -1.099 -16.405 -8.588 1.00 31.21 N ATOM 194 CZ ARG A 13 -0.355 -17.449 -8.150 1.00 25.33 C ATOM 195 NH1 ARG A 13 0.698 -17.879 -8.842 1.00 0.12 N ATOM 196 NH2 ARG A 13 -0.673 -18.070 -7.019 1.00 55.24 N ATOM 0 H ARG A 13 -1.235 -13.688 -8.117 1.00 72.43 H new ATOM 0 HA ARG A 13 -2.151 -12.436 -10.545 1.00 4.25 H new ATOM 0 HB2 ARG A 13 -3.269 -14.671 -8.803 1.00 30.41 H new ATOM 0 HB3 ARG A 13 -4.007 -14.146 -10.304 1.00 30.41 H new ATOM 0 HG2 ARG A 13 -2.735 -16.132 -10.784 1.00 24.00 H new ATOM 0 HG3 ARG A 13 -1.897 -14.785 -11.529 1.00 24.00 H new ATOM 0 HD2 ARG A 13 -0.241 -16.246 -10.514 1.00 72.44 H new ATOM 0 HD3 ARG A 13 -0.276 -14.746 -9.608 1.00 72.44 H new ATOM 0 HE ARG A 13 -1.892 -16.119 -8.013 1.00 31.21 H new ATOM 0 HH11 ARG A 13 0.955 -17.421 -9.716 1.00 0.12 H new ATOM 0 HH12 ARG A 13 1.247 -18.666 -8.498 1.00 0.12 H new ATOM 0 HH21 ARG A 13 -1.480 -17.761 -6.477 1.00 55.24 H new ATOM 0 HH22 ARG A 13 -0.110 -18.856 -6.693 1.00 55.24 H new ATOM 210 N ILE A 14 -3.459 -11.568 -7.686 1.00 52.40 N ATOM 211 CA ILE A 14 -4.253 -10.508 -7.038 1.00 61.41 C ATOM 212 C ILE A 14 -3.608 -9.127 -7.320 1.00 20.35 C ATOM 213 O ILE A 14 -4.311 -8.173 -7.659 1.00 25.12 O ATOM 214 CB ILE A 14 -4.387 -10.755 -5.482 1.00 24.31 C ATOM 215 CG1 ILE A 14 -5.024 -12.157 -5.199 1.00 22.23 C ATOM 216 CG2 ILE A 14 -5.209 -9.631 -4.795 1.00 13.24 C ATOM 217 CD1 ILE A 14 -5.155 -12.514 -3.726 1.00 11.12 C ATOM 0 H ILE A 14 -2.851 -12.077 -7.044 1.00 52.40 H new ATOM 0 HA ILE A 14 -5.259 -10.526 -7.457 1.00 61.41 H new ATOM 0 HB ILE A 14 -3.384 -10.737 -5.057 1.00 24.31 H new ATOM 0 HG12 ILE A 14 -6.013 -12.189 -5.655 1.00 22.23 H new ATOM 0 HG13 ILE A 14 -4.421 -12.920 -5.691 1.00 22.23 H new ATOM 0 HG21 ILE A 14 -5.281 -9.834 -3.726 1.00 13.24 H new ATOM 0 HG22 ILE A 14 -4.715 -8.672 -4.950 1.00 13.24 H new ATOM 0 HG23 ILE A 14 -6.210 -9.597 -5.226 1.00 13.24 H new ATOM 0 HD11 ILE A 14 -5.606 -13.502 -3.630 1.00 11.12 H new ATOM 0 HD12 ILE A 14 -4.168 -12.519 -3.264 1.00 11.12 H new ATOM 0 HD13 ILE A 14 -5.785 -11.777 -3.228 1.00 11.12 H new ATOM 229 N LEU A 15 -2.257 -9.054 -7.214 1.00 35.34 N ATOM 230 CA LEU A 15 -1.475 -7.801 -7.407 1.00 21.32 C ATOM 231 C LEU A 15 -1.708 -7.155 -8.787 1.00 30.52 C ATOM 232 O LEU A 15 -1.811 -5.934 -8.883 1.00 5.25 O ATOM 233 CB LEU A 15 0.045 -8.063 -7.232 1.00 3.23 C ATOM 234 CG LEU A 15 0.536 -8.407 -5.795 1.00 13.34 C ATOM 235 CD1 LEU A 15 2.038 -8.750 -5.809 1.00 50.32 C ATOM 236 CD2 LEU A 15 0.236 -7.255 -4.805 1.00 53.32 C ATOM 0 H LEU A 15 -1.676 -9.862 -6.992 1.00 35.34 H new ATOM 0 HA LEU A 15 -1.830 -7.109 -6.643 1.00 21.32 H new ATOM 0 HB2 LEU A 15 0.327 -8.883 -7.893 1.00 3.23 H new ATOM 0 HB3 LEU A 15 0.584 -7.179 -7.573 1.00 3.23 H new ATOM 0 HG LEU A 15 -0.013 -9.283 -5.450 1.00 13.34 H new ATOM 0 HD11 LEU A 15 2.366 -8.988 -4.797 1.00 50.32 H new ATOM 0 HD12 LEU A 15 2.209 -9.609 -6.458 1.00 50.32 H new ATOM 0 HD13 LEU A 15 2.603 -7.896 -6.182 1.00 50.32 H new ATOM 0 HD21 LEU A 15 0.591 -7.527 -3.811 1.00 53.32 H new ATOM 0 HD22 LEU A 15 0.744 -6.349 -5.136 1.00 53.32 H new ATOM 0 HD23 LEU A 15 -0.839 -7.076 -4.770 1.00 53.32 H new ATOM 248 N GLU A 16 -1.754 -7.991 -9.842 1.00 53.12 N ATOM 249 CA GLU A 16 -1.942 -7.528 -11.238 1.00 62.25 C ATOM 250 C GLU A 16 -3.342 -6.896 -11.435 1.00 15.22 C ATOM 251 O GLU A 16 -3.492 -5.951 -12.212 1.00 63.44 O ATOM 252 CB GLU A 16 -1.707 -8.701 -12.227 1.00 75.22 C ATOM 253 CG GLU A 16 -2.665 -9.895 -12.047 1.00 33.24 C ATOM 254 CD GLU A 16 -2.366 -11.072 -12.988 1.00 52.04 C ATOM 255 OE1 GLU A 16 -1.337 -11.752 -12.791 1.00 20.31 O ATOM 256 OE2 GLU A 16 -3.156 -11.320 -13.925 1.00 11.51 O ATOM 0 H GLU A 16 -1.663 -9.003 -9.755 1.00 53.12 H new ATOM 0 HA GLU A 16 -1.206 -6.752 -11.446 1.00 62.25 H new ATOM 0 HB2 GLU A 16 -1.804 -8.325 -13.245 1.00 75.22 H new ATOM 0 HB3 GLU A 16 -0.682 -9.054 -12.114 1.00 75.22 H new ATOM 0 HG2 GLU A 16 -2.609 -10.242 -11.015 1.00 33.24 H new ATOM 0 HG3 GLU A 16 -3.688 -9.558 -12.215 1.00 33.24 H new ATOM 263 N GLU A 17 -4.343 -7.424 -10.702 1.00 14.43 N ATOM 264 CA GLU A 17 -5.715 -6.880 -10.678 1.00 32.41 C ATOM 265 C GLU A 17 -5.736 -5.507 -9.992 1.00 21.20 C ATOM 266 O GLU A 17 -6.305 -4.548 -10.517 1.00 42.31 O ATOM 267 CB GLU A 17 -6.657 -7.858 -9.931 1.00 52.43 C ATOM 268 CG GLU A 17 -6.945 -9.163 -10.689 1.00 60.24 C ATOM 269 CD GLU A 17 -7.794 -8.941 -11.951 1.00 54.23 C ATOM 270 OE1 GLU A 17 -7.289 -9.129 -13.074 1.00 63.15 O ATOM 271 OE2 GLU A 17 -8.968 -8.536 -11.819 1.00 44.51 O ATOM 0 H GLU A 17 -4.221 -8.244 -10.107 1.00 14.43 H new ATOM 0 HA GLU A 17 -6.061 -6.762 -11.705 1.00 32.41 H new ATOM 0 HB2 GLU A 17 -6.215 -8.103 -8.965 1.00 52.43 H new ATOM 0 HB3 GLU A 17 -7.601 -7.352 -9.731 1.00 52.43 H new ATOM 0 HG2 GLU A 17 -6.001 -9.632 -10.969 1.00 60.24 H new ATOM 0 HG3 GLU A 17 -7.462 -9.857 -10.026 1.00 60.24 H new ATOM 278 N LEU A 18 -5.084 -5.446 -8.818 1.00 61.03 N ATOM 279 CA LEU A 18 -5.008 -4.240 -7.976 1.00 64.32 C ATOM 280 C LEU A 18 -4.208 -3.120 -8.671 1.00 1.13 C ATOM 281 O LEU A 18 -4.483 -1.929 -8.481 1.00 34.41 O ATOM 282 CB LEU A 18 -4.377 -4.619 -6.607 1.00 12.10 C ATOM 283 CG LEU A 18 -5.153 -5.697 -5.775 1.00 65.41 C ATOM 284 CD1 LEU A 18 -4.434 -6.031 -4.451 1.00 54.34 C ATOM 285 CD2 LEU A 18 -6.612 -5.265 -5.522 1.00 74.34 C ATOM 0 H LEU A 18 -4.588 -6.245 -8.422 1.00 61.03 H new ATOM 0 HA LEU A 18 -6.014 -3.853 -7.813 1.00 64.32 H new ATOM 0 HB2 LEU A 18 -3.364 -4.982 -6.783 1.00 12.10 H new ATOM 0 HB3 LEU A 18 -4.291 -3.715 -6.005 1.00 12.10 H new ATOM 0 HG LEU A 18 -5.171 -6.609 -6.371 1.00 65.41 H new ATOM 0 HD11 LEU A 18 -5.006 -6.782 -3.906 1.00 54.34 H new ATOM 0 HD12 LEU A 18 -3.438 -6.418 -4.666 1.00 54.34 H new ATOM 0 HD13 LEU A 18 -4.350 -5.129 -3.845 1.00 54.34 H new ATOM 0 HD21 LEU A 18 -7.124 -6.033 -4.943 1.00 74.34 H new ATOM 0 HD22 LEU A 18 -6.623 -4.326 -4.969 1.00 74.34 H new ATOM 0 HD23 LEU A 18 -7.122 -5.130 -6.476 1.00 74.34 H new ATOM 297 N LEU A 19 -3.229 -3.536 -9.488 1.00 62.43 N ATOM 298 CA LEU A 19 -2.416 -2.640 -10.320 1.00 10.44 C ATOM 299 C LEU A 19 -3.304 -1.963 -11.369 1.00 21.25 C ATOM 300 O LEU A 19 -3.274 -0.733 -11.512 1.00 10.22 O ATOM 301 CB LEU A 19 -1.280 -3.440 -11.005 1.00 61.13 C ATOM 302 CG LEU A 19 -0.374 -2.641 -11.996 1.00 44.33 C ATOM 303 CD1 LEU A 19 0.441 -1.539 -11.278 1.00 74.41 C ATOM 304 CD2 LEU A 19 0.533 -3.596 -12.791 1.00 53.32 C ATOM 0 H LEU A 19 -2.977 -4.519 -9.590 1.00 62.43 H new ATOM 0 HA LEU A 19 -1.967 -1.871 -9.691 1.00 10.44 H new ATOM 0 HB2 LEU A 19 -0.645 -3.867 -10.228 1.00 61.13 H new ATOM 0 HB3 LEU A 19 -1.727 -4.274 -11.546 1.00 61.13 H new ATOM 0 HG LEU A 19 -1.027 -2.130 -12.704 1.00 44.33 H new ATOM 0 HD11 LEU A 19 1.056 -1.009 -12.005 1.00 74.41 H new ATOM 0 HD12 LEU A 19 -0.241 -0.836 -10.799 1.00 74.41 H new ATOM 0 HD13 LEU A 19 1.082 -1.994 -10.523 1.00 74.41 H new ATOM 0 HD21 LEU A 19 1.156 -3.020 -13.476 1.00 53.32 H new ATOM 0 HD22 LEU A 19 1.169 -4.152 -12.102 1.00 53.32 H new ATOM 0 HD23 LEU A 19 -0.082 -4.293 -13.360 1.00 53.32 H new ATOM 316 N GLU A 20 -4.114 -2.792 -12.066 1.00 22.22 N ATOM 317 CA GLU A 20 -5.057 -2.327 -13.093 1.00 31.32 C ATOM 318 C GLU A 20 -6.019 -1.271 -12.539 1.00 23.44 C ATOM 319 O GLU A 20 -6.260 -0.271 -13.204 1.00 2.15 O ATOM 320 CB GLU A 20 -5.853 -3.517 -13.708 1.00 14.30 C ATOM 321 CG GLU A 20 -5.024 -4.450 -14.615 1.00 73.01 C ATOM 322 CD GLU A 20 -4.412 -3.724 -15.833 1.00 72.44 C ATOM 323 OE1 GLU A 20 -3.225 -3.333 -15.786 1.00 44.33 O ATOM 324 OE2 GLU A 20 -5.121 -3.528 -16.843 1.00 14.24 O ATOM 0 H GLU A 20 -4.128 -3.802 -11.927 1.00 22.22 H new ATOM 0 HA GLU A 20 -4.467 -1.863 -13.883 1.00 31.32 H new ATOM 0 HB2 GLU A 20 -6.281 -4.107 -12.898 1.00 14.30 H new ATOM 0 HB3 GLU A 20 -6.687 -3.118 -14.286 1.00 14.30 H new ATOM 0 HG2 GLU A 20 -4.223 -4.900 -14.028 1.00 73.01 H new ATOM 0 HG3 GLU A 20 -5.659 -5.264 -14.966 1.00 73.01 H new ATOM 331 N VAL A 21 -6.511 -1.482 -11.298 1.00 22.33 N ATOM 332 CA VAL A 21 -7.504 -0.589 -10.664 1.00 1.11 C ATOM 333 C VAL A 21 -6.978 0.857 -10.542 1.00 64.34 C ATOM 334 O VAL A 21 -7.733 1.801 -10.797 1.00 51.31 O ATOM 335 CB VAL A 21 -7.955 -1.119 -9.254 1.00 43.32 C ATOM 336 CG1 VAL A 21 -8.992 -0.181 -8.580 1.00 40.10 C ATOM 337 CG2 VAL A 21 -8.510 -2.551 -9.362 1.00 34.24 C ATOM 0 H VAL A 21 -6.233 -2.270 -10.712 1.00 22.33 H new ATOM 0 HA VAL A 21 -8.374 -0.584 -11.320 1.00 1.11 H new ATOM 0 HB VAL A 21 -7.070 -1.132 -8.618 1.00 43.32 H new ATOM 0 HG11 VAL A 21 -9.274 -0.588 -7.609 1.00 40.10 H new ATOM 0 HG12 VAL A 21 -8.555 0.808 -8.446 1.00 40.10 H new ATOM 0 HG13 VAL A 21 -9.877 -0.104 -9.211 1.00 40.10 H new ATOM 0 HG21 VAL A 21 -8.816 -2.898 -8.375 1.00 34.24 H new ATOM 0 HG22 VAL A 21 -9.370 -2.558 -10.032 1.00 34.24 H new ATOM 0 HG23 VAL A 21 -7.738 -3.212 -9.756 1.00 34.24 H new ATOM 347 N VAL A 22 -5.679 1.019 -10.189 1.00 64.22 N ATOM 348 CA VAL A 22 -5.046 2.360 -10.124 1.00 61.13 C ATOM 349 C VAL A 22 -5.053 2.996 -11.527 1.00 51.45 C ATOM 350 O VAL A 22 -5.431 4.146 -11.695 1.00 51.54 O ATOM 351 CB VAL A 22 -3.551 2.343 -9.611 1.00 23.42 C ATOM 352 CG1 VAL A 22 -3.021 3.787 -9.385 1.00 51.21 C ATOM 353 CG2 VAL A 22 -3.385 1.491 -8.340 1.00 34.11 C ATOM 0 H VAL A 22 -5.056 0.248 -9.948 1.00 64.22 H new ATOM 0 HA VAL A 22 -5.633 2.932 -9.405 1.00 61.13 H new ATOM 0 HB VAL A 22 -2.951 1.877 -10.392 1.00 23.42 H new ATOM 0 HG11 VAL A 22 -1.990 3.745 -9.032 1.00 51.21 H new ATOM 0 HG12 VAL A 22 -3.061 4.340 -10.323 1.00 51.21 H new ATOM 0 HG13 VAL A 22 -3.639 4.289 -8.641 1.00 51.21 H new ATOM 0 HG21 VAL A 22 -2.342 1.508 -8.024 1.00 34.11 H new ATOM 0 HG22 VAL A 22 -4.012 1.897 -7.546 1.00 34.11 H new ATOM 0 HG23 VAL A 22 -3.684 0.464 -8.549 1.00 34.11 H new ATOM 363 N LEU A 23 -4.675 2.184 -12.525 1.00 55.12 N ATOM 364 CA LEU A 23 -4.481 2.631 -13.916 1.00 70.21 C ATOM 365 C LEU A 23 -5.814 3.046 -14.579 1.00 2.30 C ATOM 366 O LEU A 23 -5.829 3.955 -15.417 1.00 31.00 O ATOM 367 CB LEU A 23 -3.777 1.506 -14.717 1.00 30.13 C ATOM 368 CG LEU A 23 -2.420 1.002 -14.115 1.00 42.13 C ATOM 369 CD1 LEU A 23 -1.916 -0.262 -14.837 1.00 23.31 C ATOM 370 CD2 LEU A 23 -1.345 2.118 -14.106 1.00 23.40 C ATOM 0 H LEU A 23 -4.493 1.189 -12.390 1.00 55.12 H new ATOM 0 HA LEU A 23 -3.850 3.520 -13.914 1.00 70.21 H new ATOM 0 HB2 LEU A 23 -4.458 0.658 -14.795 1.00 30.13 H new ATOM 0 HB3 LEU A 23 -3.595 1.864 -15.730 1.00 30.13 H new ATOM 0 HG LEU A 23 -2.610 0.731 -13.077 1.00 42.13 H new ATOM 0 HD11 LEU A 23 -0.974 -0.583 -14.393 1.00 23.31 H new ATOM 0 HD12 LEU A 23 -2.654 -1.058 -14.736 1.00 23.31 H new ATOM 0 HD13 LEU A 23 -1.763 -0.041 -15.893 1.00 23.31 H new ATOM 0 HD21 LEU A 23 -0.420 1.729 -13.681 1.00 23.40 H new ATOM 0 HD22 LEU A 23 -1.162 2.455 -15.126 1.00 23.40 H new ATOM 0 HD23 LEU A 23 -1.696 2.956 -13.504 1.00 23.40 H new ATOM 382 N LYS A 24 -6.935 2.389 -14.182 1.00 0.04 N ATOM 383 CA LYS A 24 -8.287 2.744 -14.681 1.00 21.44 C ATOM 384 C LYS A 24 -8.769 4.022 -13.962 1.00 53.00 C ATOM 385 O LYS A 24 -9.347 4.915 -14.584 1.00 64.35 O ATOM 386 CB LYS A 24 -9.342 1.603 -14.446 1.00 4.24 C ATOM 387 CG LYS A 24 -8.900 0.161 -14.775 1.00 74.33 C ATOM 388 CD LYS A 24 -8.363 -0.051 -16.211 1.00 10.14 C ATOM 389 CE LYS A 24 -7.914 -1.509 -16.429 1.00 10.10 C ATOM 390 NZ LYS A 24 -7.356 -1.740 -17.786 1.00 52.03 N ATOM 0 H LYS A 24 -6.928 1.613 -13.520 1.00 0.04 H new ATOM 0 HA LYS A 24 -8.205 2.899 -15.757 1.00 21.44 H new ATOM 0 HB2 LYS A 24 -9.647 1.634 -13.400 1.00 4.24 H new ATOM 0 HB3 LYS A 24 -10.226 1.831 -15.042 1.00 4.24 H new ATOM 0 HG2 LYS A 24 -8.126 -0.135 -14.067 1.00 74.33 H new ATOM 0 HG3 LYS A 24 -9.747 -0.507 -14.619 1.00 74.33 H new ATOM 0 HD2 LYS A 24 -9.138 0.205 -16.933 1.00 10.14 H new ATOM 0 HD3 LYS A 24 -7.524 0.621 -16.391 1.00 10.14 H new ATOM 0 HE2 LYS A 24 -7.163 -1.769 -15.683 1.00 10.10 H new ATOM 0 HE3 LYS A 24 -8.763 -2.174 -16.272 1.00 10.10 H new ATOM 0 HZ1 LYS A 24 -6.541 -2.383 -17.721 1.00 52.03 H new ATOM 0 HZ2 LYS A 24 -8.085 -2.165 -18.394 1.00 52.03 H new ATOM 0 HZ3 LYS A 24 -7.050 -0.834 -18.194 1.00 52.03 H new ATOM 404 N SER A 25 -8.507 4.077 -12.636 1.00 35.01 N ATOM 405 CA SER A 25 -8.996 5.143 -11.744 1.00 73.54 C ATOM 406 C SER A 25 -8.194 6.444 -11.957 1.00 52.03 C ATOM 407 O SER A 25 -8.705 7.406 -12.540 1.00 45.13 O ATOM 408 CB SER A 25 -8.921 4.668 -10.265 1.00 21.42 C ATOM 409 OG SER A 25 -9.578 5.565 -9.385 1.00 41.11 O ATOM 0 H SER A 25 -7.945 3.375 -12.155 1.00 35.01 H new ATOM 0 HA SER A 25 -10.037 5.358 -11.984 1.00 73.54 H new ATOM 0 HB2 SER A 25 -9.372 3.680 -10.178 1.00 21.42 H new ATOM 0 HB3 SER A 25 -7.877 4.569 -9.969 1.00 21.42 H new ATOM 0 HG SER A 25 -9.050 6.386 -9.301 1.00 41.11 H new ATOM 415 N ASP A 26 -6.934 6.454 -11.486 1.00 44.12 N ATOM 416 CA ASP A 26 -6.019 7.606 -11.593 1.00 71.12 C ATOM 417 C ASP A 26 -4.657 7.128 -12.164 1.00 30.11 C ATOM 418 O ASP A 26 -3.792 6.681 -11.395 1.00 24.23 O ATOM 419 CB ASP A 26 -5.823 8.283 -10.206 1.00 41.42 C ATOM 420 CG ASP A 26 -7.105 8.912 -9.641 1.00 14.51 C ATOM 421 OD1 ASP A 26 -7.917 8.183 -9.044 1.00 51.21 O ATOM 422 OD2 ASP A 26 -7.307 10.133 -9.804 1.00 71.52 O ATOM 0 H ASP A 26 -6.517 5.652 -11.014 1.00 44.12 H new ATOM 0 HA ASP A 26 -6.452 8.345 -12.267 1.00 71.12 H new ATOM 0 HB2 ASP A 26 -5.450 7.542 -9.499 1.00 41.42 H new ATOM 0 HB3 ASP A 26 -5.058 9.054 -10.293 1.00 41.42 H new ATOM 427 N PRO A 27 -4.445 7.188 -13.524 1.00 74.42 N ATOM 428 CA PRO A 27 -3.162 6.769 -14.169 1.00 12.40 C ATOM 429 C PRO A 27 -2.012 7.783 -13.943 1.00 63.34 C ATOM 430 O PRO A 27 -0.876 7.546 -14.363 1.00 2.42 O ATOM 431 CB PRO A 27 -3.551 6.670 -15.667 1.00 31.12 C ATOM 432 CG PRO A 27 -4.646 7.682 -15.837 1.00 14.04 C ATOM 433 CD PRO A 27 -5.435 7.649 -14.541 1.00 42.44 C ATOM 0 HA PRO A 27 -2.771 5.840 -13.754 1.00 12.40 H new ATOM 0 HB2 PRO A 27 -2.702 6.891 -16.313 1.00 31.12 H new ATOM 0 HB3 PRO A 27 -3.894 5.667 -15.923 1.00 31.12 H new ATOM 0 HG2 PRO A 27 -4.237 8.675 -16.022 1.00 14.04 H new ATOM 0 HG3 PRO A 27 -5.280 7.435 -16.689 1.00 14.04 H new ATOM 0 HD2 PRO A 27 -5.834 8.632 -14.292 1.00 42.44 H new ATOM 0 HD3 PRO A 27 -6.284 6.968 -14.608 1.00 42.44 H new ATOM 441 N ASN A 28 -2.334 8.914 -13.283 1.00 41.03 N ATOM 442 CA ASN A 28 -1.360 9.969 -12.924 1.00 24.31 C ATOM 443 C ASN A 28 -0.594 9.606 -11.638 1.00 61.31 C ATOM 444 O ASN A 28 0.450 10.194 -11.344 1.00 22.35 O ATOM 445 CB ASN A 28 -2.086 11.328 -12.748 1.00 52.25 C ATOM 446 CG ASN A 28 -2.753 11.816 -14.038 1.00 64.01 C ATOM 447 OD1 ASN A 28 -2.152 12.534 -14.840 1.00 31.03 O ATOM 448 ND2 ASN A 28 -3.997 11.435 -14.253 1.00 41.54 N ATOM 0 H ASN A 28 -3.285 9.124 -12.981 1.00 41.03 H new ATOM 0 HA ASN A 28 -0.637 10.052 -13.735 1.00 24.31 H new ATOM 0 HB2 ASN A 28 -2.841 11.233 -11.967 1.00 52.25 H new ATOM 0 HB3 ASN A 28 -1.370 12.076 -12.409 1.00 52.25 H new ATOM 0 HD21 ASN A 28 -4.483 11.735 -15.098 1.00 41.54 H new ATOM 0 HD22 ASN A 28 -4.473 10.841 -13.574 1.00 41.54 H new ATOM 455 N VAL A 29 -1.143 8.649 -10.871 1.00 3.40 N ATOM 456 CA VAL A 29 -0.525 8.134 -9.640 1.00 41.23 C ATOM 457 C VAL A 29 0.592 7.139 -9.995 1.00 63.02 C ATOM 458 O VAL A 29 0.388 6.266 -10.852 1.00 62.53 O ATOM 459 CB VAL A 29 -1.608 7.435 -8.735 1.00 75.42 C ATOM 460 CG1 VAL A 29 -0.999 6.820 -7.447 1.00 51.41 C ATOM 461 CG2 VAL A 29 -2.745 8.428 -8.400 1.00 41.22 C ATOM 0 H VAL A 29 -2.036 8.208 -11.091 1.00 3.40 H new ATOM 0 HA VAL A 29 -0.096 8.968 -9.085 1.00 41.23 H new ATOM 0 HB VAL A 29 -2.024 6.603 -9.304 1.00 75.42 H new ATOM 0 HG11 VAL A 29 -1.788 6.351 -6.859 1.00 51.41 H new ATOM 0 HG12 VAL A 29 -0.255 6.071 -7.718 1.00 51.41 H new ATOM 0 HG13 VAL A 29 -0.526 7.605 -6.858 1.00 51.41 H new ATOM 0 HG21 VAL A 29 -3.488 7.933 -7.774 1.00 41.22 H new ATOM 0 HG22 VAL A 29 -2.334 9.285 -7.867 1.00 41.22 H new ATOM 0 HG23 VAL A 29 -3.216 8.767 -9.323 1.00 41.22 H new ATOM 471 N LYS A 30 1.760 7.285 -9.345 1.00 74.43 N ATOM 472 CA LYS A 30 2.892 6.371 -9.531 1.00 25.23 C ATOM 473 C LYS A 30 2.563 5.003 -8.907 1.00 31.42 C ATOM 474 O LYS A 30 1.963 4.940 -7.840 1.00 41.35 O ATOM 475 CB LYS A 30 4.177 6.963 -8.894 1.00 13.43 C ATOM 476 CG LYS A 30 5.455 6.095 -9.053 1.00 74.31 C ATOM 477 CD LYS A 30 5.864 5.878 -10.532 1.00 33.54 C ATOM 478 CE LYS A 30 7.147 5.042 -10.681 1.00 25.44 C ATOM 479 NZ LYS A 30 8.336 5.719 -10.097 1.00 53.41 N ATOM 0 H LYS A 30 1.942 8.037 -8.680 1.00 74.43 H new ATOM 0 HA LYS A 30 3.070 6.240 -10.598 1.00 25.23 H new ATOM 0 HB2 LYS A 30 4.365 7.942 -9.336 1.00 13.43 H new ATOM 0 HB3 LYS A 30 3.996 7.123 -7.831 1.00 13.43 H new ATOM 0 HG2 LYS A 30 6.279 6.571 -8.521 1.00 74.31 H new ATOM 0 HG3 LYS A 30 5.289 5.126 -8.582 1.00 74.31 H new ATOM 0 HD2 LYS A 30 5.050 5.382 -11.060 1.00 33.54 H new ATOM 0 HD3 LYS A 30 6.010 6.847 -11.009 1.00 33.54 H new ATOM 0 HE2 LYS A 30 7.007 4.077 -10.195 1.00 25.44 H new ATOM 0 HE3 LYS A 30 7.328 4.844 -11.737 1.00 25.44 H new ATOM 0 HZ1 LYS A 30 9.063 5.838 -10.831 1.00 53.41 H new ATOM 0 HZ2 LYS A 30 8.059 6.652 -9.729 1.00 53.41 H new ATOM 0 HZ3 LYS A 30 8.719 5.141 -9.322 1.00 53.41 H new ATOM 493 N THR A 31 2.925 3.926 -9.600 1.00 43.24 N ATOM 494 CA THR A 31 2.774 2.550 -9.106 1.00 44.32 C ATOM 495 C THR A 31 4.103 1.809 -9.266 1.00 63.33 C ATOM 496 O THR A 31 4.775 1.952 -10.294 1.00 32.44 O ATOM 497 CB THR A 31 1.632 1.800 -9.872 1.00 40.20 C ATOM 498 OG1 THR A 31 1.791 1.981 -11.292 1.00 15.25 O ATOM 499 CG2 THR A 31 0.236 2.284 -9.455 1.00 15.01 C ATOM 0 H THR A 31 3.337 3.980 -10.532 1.00 43.24 H new ATOM 0 HA THR A 31 2.499 2.581 -8.052 1.00 44.32 H new ATOM 0 HB THR A 31 1.712 0.744 -9.613 1.00 40.20 H new ATOM 0 HG1 THR A 31 1.074 1.508 -11.764 1.00 15.25 H new ATOM 0 HG21 THR A 31 -0.522 1.734 -10.014 1.00 15.01 H new ATOM 0 HG22 THR A 31 0.095 2.113 -8.388 1.00 15.01 H new ATOM 0 HG23 THR A 31 0.142 3.349 -9.667 1.00 15.01 H new ATOM 507 N VAL A 32 4.497 1.057 -8.223 1.00 4.31 N ATOM 508 CA VAL A 32 5.730 0.243 -8.210 1.00 11.11 C ATOM 509 C VAL A 32 5.417 -1.089 -7.519 1.00 43.31 C ATOM 510 O VAL A 32 5.001 -1.085 -6.364 1.00 42.21 O ATOM 511 CB VAL A 32 6.929 0.947 -7.437 1.00 4.31 C ATOM 512 CG1 VAL A 32 8.240 0.124 -7.549 1.00 70.30 C ATOM 513 CG2 VAL A 32 7.141 2.405 -7.911 1.00 64.12 C ATOM 0 H VAL A 32 3.964 0.995 -7.355 1.00 4.31 H new ATOM 0 HA VAL A 32 6.047 0.104 -9.243 1.00 11.11 H new ATOM 0 HB VAL A 32 6.651 0.985 -6.384 1.00 4.31 H new ATOM 0 HG11 VAL A 32 9.037 0.635 -7.009 1.00 70.30 H new ATOM 0 HG12 VAL A 32 8.086 -0.865 -7.118 1.00 70.30 H new ATOM 0 HG13 VAL A 32 8.518 0.024 -8.598 1.00 70.30 H new ATOM 0 HG21 VAL A 32 7.969 2.850 -7.359 1.00 64.12 H new ATOM 0 HG22 VAL A 32 7.370 2.411 -8.977 1.00 64.12 H new ATOM 0 HG23 VAL A 32 6.233 2.981 -7.732 1.00 64.12 H new ATOM 523 N ARG A 33 5.628 -2.216 -8.209 1.00 13.02 N ATOM 524 CA ARG A 33 5.423 -3.551 -7.630 1.00 24.43 C ATOM 525 C ARG A 33 6.803 -4.193 -7.430 1.00 52.54 C ATOM 526 O ARG A 33 7.350 -4.819 -8.337 1.00 74.14 O ATOM 527 CB ARG A 33 4.486 -4.411 -8.534 1.00 34.52 C ATOM 528 CG ARG A 33 4.227 -5.853 -8.028 1.00 64.34 C ATOM 529 CD ARG A 33 3.179 -6.608 -8.865 1.00 2.11 C ATOM 530 NE ARG A 33 3.562 -6.726 -10.288 1.00 14.25 N ATOM 531 CZ ARG A 33 4.076 -7.823 -10.873 1.00 4.44 C ATOM 532 NH1 ARG A 33 4.291 -8.932 -10.173 1.00 35.33 N ATOM 533 NH2 ARG A 33 4.377 -7.797 -12.165 1.00 12.55 N ATOM 0 H ARG A 33 5.944 -2.230 -9.179 1.00 13.02 H new ATOM 0 HA ARG A 33 4.922 -3.481 -6.665 1.00 24.43 H new ATOM 0 HB2 ARG A 33 3.529 -3.899 -8.630 1.00 34.52 H new ATOM 0 HB3 ARG A 33 4.920 -4.465 -9.533 1.00 34.52 H new ATOM 0 HG2 ARG A 33 5.164 -6.410 -8.042 1.00 64.34 H new ATOM 0 HG3 ARG A 33 3.895 -5.813 -6.991 1.00 64.34 H new ATOM 0 HD2 ARG A 33 3.036 -7.605 -8.448 1.00 2.11 H new ATOM 0 HD3 ARG A 33 2.222 -6.092 -8.792 1.00 2.11 H new ATOM 0 HE ARG A 33 3.425 -5.905 -10.877 1.00 14.25 H new ATOM 0 HH11 ARG A 33 4.066 -8.959 -9.179 1.00 35.33 H new ATOM 0 HH12 ARG A 33 4.681 -9.756 -10.630 1.00 35.33 H new ATOM 0 HH21 ARG A 33 4.218 -6.949 -12.709 1.00 12.55 H new ATOM 0 HH22 ARG A 33 4.767 -8.625 -12.615 1.00 12.55 H new ATOM 547 N THR A 34 7.401 -3.928 -6.259 1.00 52.44 N ATOM 548 CA THR A 34 8.707 -4.475 -5.859 1.00 31.34 C ATOM 549 C THR A 34 8.583 -5.228 -4.521 1.00 25.41 C ATOM 550 O THR A 34 7.870 -4.780 -3.610 1.00 5.01 O ATOM 551 CB THR A 34 9.800 -3.346 -5.778 1.00 42.34 C ATOM 552 OG1 THR A 34 11.061 -3.884 -5.337 1.00 34.25 O ATOM 553 CG2 THR A 34 9.392 -2.184 -4.852 1.00 44.34 C ATOM 0 H THR A 34 6.986 -3.320 -5.553 1.00 52.44 H new ATOM 0 HA THR A 34 9.029 -5.183 -6.623 1.00 31.34 H new ATOM 0 HB THR A 34 9.899 -2.948 -6.788 1.00 42.34 H new ATOM 0 HG1 THR A 34 11.793 -3.362 -5.726 1.00 34.25 H new ATOM 0 HG21 THR A 34 10.185 -1.436 -4.836 1.00 44.34 H new ATOM 0 HG22 THR A 34 8.472 -1.730 -5.221 1.00 44.34 H new ATOM 0 HG23 THR A 34 9.230 -2.563 -3.843 1.00 44.34 H new ATOM 561 N ASP A 35 9.262 -6.385 -4.417 1.00 33.21 N ATOM 562 CA ASP A 35 9.402 -7.126 -3.149 1.00 42.01 C ATOM 563 C ASP A 35 10.600 -6.582 -2.348 1.00 72.11 C ATOM 564 O ASP A 35 10.652 -6.751 -1.126 1.00 21.30 O ATOM 565 CB ASP A 35 9.539 -8.656 -3.388 1.00 41.40 C ATOM 566 CG ASP A 35 10.795 -9.070 -4.188 1.00 23.13 C ATOM 567 OD1 ASP A 35 11.879 -9.218 -3.591 1.00 52.10 O ATOM 568 OD2 ASP A 35 10.701 -9.261 -5.422 1.00 72.42 O ATOM 0 H ASP A 35 9.728 -6.832 -5.207 1.00 33.21 H new ATOM 0 HA ASP A 35 8.493 -6.974 -2.567 1.00 42.01 H new ATOM 0 HB2 ASP A 35 9.556 -9.162 -2.423 1.00 41.40 H new ATOM 0 HB3 ASP A 35 8.654 -9.009 -3.917 1.00 41.40 H new ATOM 573 N ASP A 36 11.563 -5.936 -3.058 1.00 44.32 N ATOM 574 CA ASP A 36 12.718 -5.280 -2.423 1.00 62.12 C ATOM 575 C ASP A 36 12.223 -4.097 -1.577 1.00 22.34 C ATOM 576 O ASP A 36 11.894 -3.038 -2.122 1.00 45.44 O ATOM 577 CB ASP A 36 13.756 -4.768 -3.462 1.00 74.11 C ATOM 578 CG ASP A 36 14.409 -5.884 -4.287 1.00 4.43 C ATOM 579 OD1 ASP A 36 15.144 -6.706 -3.710 1.00 72.25 O ATOM 580 OD2 ASP A 36 14.211 -5.929 -5.522 1.00 71.15 O ATOM 0 H ASP A 36 11.554 -5.860 -4.075 1.00 44.32 H new ATOM 0 HA ASP A 36 13.217 -6.022 -1.800 1.00 62.12 H new ATOM 0 HB2 ASP A 36 13.264 -4.069 -4.139 1.00 74.11 H new ATOM 0 HB3 ASP A 36 14.535 -4.212 -2.940 1.00 74.11 H new ATOM 585 N LYS A 37 12.128 -4.323 -0.258 1.00 5.12 N ATOM 586 CA LYS A 37 11.743 -3.300 0.740 1.00 22.22 C ATOM 587 C LYS A 37 12.720 -2.103 0.758 1.00 42.41 C ATOM 588 O LYS A 37 12.353 -1.002 1.182 1.00 52.21 O ATOM 589 CB LYS A 37 11.568 -3.917 2.167 1.00 31.52 C ATOM 590 CG LYS A 37 12.766 -4.694 2.786 1.00 74.50 C ATOM 591 CD LYS A 37 12.911 -6.141 2.249 1.00 5.53 C ATOM 592 CE LYS A 37 13.885 -7.003 3.070 1.00 41.02 C ATOM 593 NZ LYS A 37 15.291 -6.534 2.975 1.00 54.25 N ATOM 0 H LYS A 37 12.319 -5.235 0.157 1.00 5.12 H new ATOM 0 HA LYS A 37 10.772 -2.913 0.430 1.00 22.22 H new ATOM 0 HB2 LYS A 37 11.308 -3.108 2.850 1.00 31.52 H new ATOM 0 HB3 LYS A 37 10.714 -4.593 2.134 1.00 31.52 H new ATOM 0 HG2 LYS A 37 13.687 -4.146 2.584 1.00 74.50 H new ATOM 0 HG3 LYS A 37 12.646 -4.728 3.869 1.00 74.50 H new ATOM 0 HD2 LYS A 37 11.931 -6.618 2.244 1.00 5.53 H new ATOM 0 HD3 LYS A 37 13.253 -6.104 1.215 1.00 5.53 H new ATOM 0 HE2 LYS A 37 13.575 -6.998 4.115 1.00 41.02 H new ATOM 0 HE3 LYS A 37 13.827 -8.036 2.726 1.00 41.02 H new ATOM 0 HZ1 LYS A 37 15.856 -6.976 3.728 1.00 54.25 H new ATOM 0 HZ2 LYS A 37 15.683 -6.797 2.048 1.00 54.25 H new ATOM 0 HZ3 LYS A 37 15.320 -5.500 3.082 1.00 54.25 H new ATOM 607 N GLU A 38 13.947 -2.339 0.265 1.00 22.11 N ATOM 608 CA GLU A 38 14.959 -1.295 0.019 1.00 15.44 C ATOM 609 C GLU A 38 14.452 -0.342 -1.079 1.00 24.11 C ATOM 610 O GLU A 38 14.384 0.874 -0.879 1.00 24.11 O ATOM 611 CB GLU A 38 16.315 -1.941 -0.417 1.00 75.50 C ATOM 612 CG GLU A 38 17.064 -2.737 0.683 1.00 1.33 C ATOM 613 CD GLU A 38 16.248 -3.875 1.323 1.00 30.51 C ATOM 614 OE1 GLU A 38 15.821 -4.808 0.598 1.00 33.41 O ATOM 615 OE2 GLU A 38 16.016 -3.836 2.551 1.00 24.51 O ATOM 0 H GLU A 38 14.270 -3.275 0.022 1.00 22.11 H new ATOM 0 HA GLU A 38 15.125 -0.735 0.939 1.00 15.44 H new ATOM 0 HB2 GLU A 38 16.125 -2.609 -1.257 1.00 75.50 H new ATOM 0 HB3 GLU A 38 16.973 -1.151 -0.780 1.00 75.50 H new ATOM 0 HG2 GLU A 38 17.973 -3.158 0.253 1.00 1.33 H new ATOM 0 HG3 GLU A 38 17.373 -2.045 1.466 1.00 1.33 H new ATOM 622 N LYS A 39 14.039 -0.945 -2.214 1.00 53.25 N ATOM 623 CA LYS A 39 13.575 -0.222 -3.412 1.00 14.32 C ATOM 624 C LYS A 39 12.270 0.556 -3.136 1.00 24.11 C ATOM 625 O LYS A 39 12.067 1.641 -3.699 1.00 73.30 O ATOM 626 CB LYS A 39 13.392 -1.222 -4.590 1.00 42.14 C ATOM 627 CG LYS A 39 12.842 -0.621 -5.911 1.00 3.14 C ATOM 628 CD LYS A 39 13.717 0.531 -6.458 1.00 42.32 C ATOM 629 CE LYS A 39 13.093 1.212 -7.680 1.00 21.02 C ATOM 630 NZ LYS A 39 13.882 2.395 -8.114 1.00 21.34 N ATOM 0 H LYS A 39 14.019 -1.959 -2.323 1.00 53.25 H new ATOM 0 HA LYS A 39 14.332 0.513 -3.686 1.00 14.32 H new ATOM 0 HB2 LYS A 39 14.355 -1.687 -4.799 1.00 42.14 H new ATOM 0 HB3 LYS A 39 12.718 -2.015 -4.266 1.00 42.14 H new ATOM 0 HG2 LYS A 39 12.775 -1.408 -6.662 1.00 3.14 H new ATOM 0 HG3 LYS A 39 11.830 -0.254 -5.743 1.00 3.14 H new ATOM 0 HD2 LYS A 39 13.870 1.271 -5.672 1.00 42.32 H new ATOM 0 HD3 LYS A 39 14.699 0.142 -6.725 1.00 42.32 H new ATOM 0 HE2 LYS A 39 13.027 0.498 -8.501 1.00 21.02 H new ATOM 0 HE3 LYS A 39 12.075 1.521 -7.444 1.00 21.02 H new ATOM 0 HZ1 LYS A 39 13.327 3.260 -7.956 1.00 21.34 H new ATOM 0 HZ2 LYS A 39 14.764 2.444 -7.565 1.00 21.34 H new ATOM 0 HZ3 LYS A 39 14.108 2.309 -9.125 1.00 21.34 H new ATOM 644 N VAL A 40 11.408 -0.003 -2.258 1.00 32.12 N ATOM 645 CA VAL A 40 10.157 0.655 -1.830 1.00 1.32 C ATOM 646 C VAL A 40 10.459 2.041 -1.219 1.00 74.42 C ATOM 647 O VAL A 40 9.868 3.041 -1.629 1.00 24.21 O ATOM 648 CB VAL A 40 9.360 -0.204 -0.778 1.00 23.15 C ATOM 649 CG1 VAL A 40 8.063 0.515 -0.342 1.00 4.42 C ATOM 650 CG2 VAL A 40 9.048 -1.627 -1.306 1.00 5.21 C ATOM 0 H VAL A 40 11.560 -0.916 -1.830 1.00 32.12 H new ATOM 0 HA VAL A 40 9.539 0.763 -2.721 1.00 1.32 H new ATOM 0 HB VAL A 40 10.002 -0.315 0.096 1.00 23.15 H new ATOM 0 HG11 VAL A 40 7.532 -0.100 0.385 1.00 4.42 H new ATOM 0 HG12 VAL A 40 8.313 1.475 0.110 1.00 4.42 H new ATOM 0 HG13 VAL A 40 7.427 0.678 -1.212 1.00 4.42 H new ATOM 0 HG21 VAL A 40 8.497 -2.184 -0.548 1.00 5.21 H new ATOM 0 HG22 VAL A 40 8.446 -1.555 -2.212 1.00 5.21 H new ATOM 0 HG23 VAL A 40 9.981 -2.144 -1.530 1.00 5.21 H new ATOM 660 N LYS A 41 11.418 2.066 -0.268 1.00 22.43 N ATOM 661 CA LYS A 41 11.821 3.289 0.463 1.00 72.41 C ATOM 662 C LYS A 41 12.395 4.350 -0.481 1.00 54.24 C ATOM 663 O LYS A 41 12.150 5.545 -0.296 1.00 45.25 O ATOM 664 CB LYS A 41 12.877 2.957 1.536 1.00 60.13 C ATOM 665 CG LYS A 41 12.419 1.960 2.612 1.00 31.50 C ATOM 666 CD LYS A 41 13.545 1.687 3.627 1.00 21.13 C ATOM 667 CE LYS A 41 13.192 0.611 4.648 1.00 51.12 C ATOM 668 NZ LYS A 41 14.295 0.429 5.628 1.00 22.41 N ATOM 0 H LYS A 41 11.937 1.235 0.016 1.00 22.43 H new ATOM 0 HA LYS A 41 10.923 3.687 0.935 1.00 72.41 H new ATOM 0 HB2 LYS A 41 13.761 2.554 1.042 1.00 60.13 H new ATOM 0 HB3 LYS A 41 13.179 3.883 2.025 1.00 60.13 H new ATOM 0 HG2 LYS A 41 11.545 2.355 3.130 1.00 31.50 H new ATOM 0 HG3 LYS A 41 12.115 1.025 2.141 1.00 31.50 H new ATOM 0 HD2 LYS A 41 14.444 1.386 3.089 1.00 21.13 H new ATOM 0 HD3 LYS A 41 13.783 2.612 4.152 1.00 21.13 H new ATOM 0 HE2 LYS A 41 12.277 0.887 5.171 1.00 51.12 H new ATOM 0 HE3 LYS A 41 12.995 -0.331 4.136 1.00 51.12 H new ATOM 0 HZ1 LYS A 41 13.999 -0.246 6.362 1.00 22.41 H new ATOM 0 HZ2 LYS A 41 15.137 0.063 5.139 1.00 22.41 H new ATOM 0 HZ3 LYS A 41 14.521 1.343 6.069 1.00 22.41 H new ATOM 682 N GLU A 42 13.176 3.885 -1.470 1.00 11.32 N ATOM 683 CA GLU A 42 13.760 4.749 -2.509 1.00 72.42 C ATOM 684 C GLU A 42 12.648 5.455 -3.303 1.00 71.04 C ATOM 685 O GLU A 42 12.741 6.647 -3.569 1.00 34.44 O ATOM 686 CB GLU A 42 14.669 3.914 -3.455 1.00 0.22 C ATOM 687 CG GLU A 42 15.796 3.135 -2.744 1.00 12.25 C ATOM 688 CD GLU A 42 16.720 4.033 -1.897 1.00 42.33 C ATOM 689 OE1 GLU A 42 17.637 4.664 -2.471 1.00 74.20 O ATOM 690 OE2 GLU A 42 16.531 4.124 -0.659 1.00 14.50 O ATOM 0 H GLU A 42 13.420 2.900 -1.572 1.00 11.32 H new ATOM 0 HA GLU A 42 14.374 5.511 -2.029 1.00 72.42 H new ATOM 0 HB2 GLU A 42 14.047 3.207 -4.004 1.00 0.22 H new ATOM 0 HB3 GLU A 42 15.116 4.583 -4.191 1.00 0.22 H new ATOM 0 HG2 GLU A 42 15.353 2.374 -2.102 1.00 12.25 H new ATOM 0 HG3 GLU A 42 16.394 2.613 -3.491 1.00 12.25 H new ATOM 697 N GLU A 43 11.582 4.697 -3.631 1.00 12.53 N ATOM 698 CA GLU A 43 10.410 5.212 -4.371 1.00 34.51 C ATOM 699 C GLU A 43 9.524 6.138 -3.510 1.00 1.43 C ATOM 700 O GLU A 43 8.893 7.057 -4.046 1.00 72.43 O ATOM 701 CB GLU A 43 9.585 4.033 -4.942 1.00 74.11 C ATOM 702 CG GLU A 43 10.307 3.237 -6.045 1.00 63.14 C ATOM 703 CD GLU A 43 10.690 4.112 -7.261 1.00 31.52 C ATOM 704 OE1 GLU A 43 11.887 4.427 -7.443 1.00 13.33 O ATOM 705 OE2 GLU A 43 9.790 4.499 -8.034 1.00 70.44 O ATOM 0 H GLU A 43 11.509 3.709 -3.390 1.00 12.53 H new ATOM 0 HA GLU A 43 10.785 5.821 -5.194 1.00 34.51 H new ATOM 0 HB2 GLU A 43 9.329 3.355 -4.128 1.00 74.11 H new ATOM 0 HB3 GLU A 43 8.648 4.419 -5.342 1.00 74.11 H new ATOM 0 HG2 GLU A 43 11.208 2.785 -5.630 1.00 63.14 H new ATOM 0 HG3 GLU A 43 9.665 2.421 -6.378 1.00 63.14 H new ATOM 712 N ILE A 44 9.478 5.887 -2.184 1.00 35.32 N ATOM 713 CA ILE A 44 8.785 6.764 -1.214 1.00 63.54 C ATOM 714 C ILE A 44 9.517 8.123 -1.130 1.00 2.30 C ATOM 715 O ILE A 44 8.881 9.178 -1.042 1.00 3.42 O ATOM 716 CB ILE A 44 8.712 6.094 0.219 1.00 14.24 C ATOM 717 CG1 ILE A 44 7.856 4.783 0.189 1.00 4.45 C ATOM 718 CG2 ILE A 44 8.181 7.077 1.298 1.00 3.54 C ATOM 719 CD1 ILE A 44 7.831 4.012 1.504 1.00 62.21 C ATOM 0 H ILE A 44 9.919 5.073 -1.756 1.00 35.32 H new ATOM 0 HA ILE A 44 7.763 6.920 -1.561 1.00 63.54 H new ATOM 0 HB ILE A 44 9.732 5.829 0.497 1.00 14.24 H new ATOM 0 HG12 ILE A 44 6.833 5.039 -0.087 1.00 4.45 H new ATOM 0 HG13 ILE A 44 8.243 4.130 -0.593 1.00 4.45 H new ATOM 0 HG21 ILE A 44 8.148 6.574 2.264 1.00 3.54 H new ATOM 0 HG22 ILE A 44 8.843 7.941 1.361 1.00 3.54 H new ATOM 0 HG23 ILE A 44 7.178 7.408 1.027 1.00 3.54 H new ATOM 0 HD11 ILE A 44 7.215 3.120 1.391 1.00 62.21 H new ATOM 0 HD12 ILE A 44 8.846 3.721 1.774 1.00 62.21 H new ATOM 0 HD13 ILE A 44 7.414 4.644 2.288 1.00 62.21 H new ATOM 731 N GLU A 45 10.861 8.056 -1.190 1.00 45.23 N ATOM 732 CA GLU A 45 11.750 9.229 -1.170 1.00 3.33 C ATOM 733 C GLU A 45 11.489 10.101 -2.423 1.00 4.35 C ATOM 734 O GLU A 45 11.429 11.332 -2.333 1.00 42.34 O ATOM 735 CB GLU A 45 13.244 8.754 -1.108 1.00 3.44 C ATOM 736 CG GLU A 45 14.202 9.641 -0.280 1.00 35.11 C ATOM 737 CD GLU A 45 14.307 11.102 -0.761 1.00 30.54 C ATOM 738 OE1 GLU A 45 15.036 11.377 -1.739 1.00 32.31 O ATOM 739 OE2 GLU A 45 13.672 11.988 -0.157 1.00 53.03 O ATOM 0 H GLU A 45 11.365 7.172 -1.255 1.00 45.23 H new ATOM 0 HA GLU A 45 11.547 9.834 -0.287 1.00 3.33 H new ATOM 0 HB2 GLU A 45 13.267 7.745 -0.696 1.00 3.44 H new ATOM 0 HB3 GLU A 45 13.627 8.691 -2.126 1.00 3.44 H new ATOM 0 HG2 GLU A 45 13.871 9.638 0.759 1.00 35.11 H new ATOM 0 HG3 GLU A 45 15.196 9.194 -0.299 1.00 35.11 H new ATOM 746 N LYS A 46 11.307 9.426 -3.585 1.00 12.33 N ATOM 747 CA LYS A 46 11.007 10.095 -4.866 1.00 44.05 C ATOM 748 C LYS A 46 9.654 10.824 -4.780 1.00 70.21 C ATOM 749 O LYS A 46 9.574 12.026 -5.029 1.00 23.23 O ATOM 750 CB LYS A 46 10.981 9.080 -6.056 1.00 64.12 C ATOM 751 CG LYS A 46 12.246 8.202 -6.217 1.00 61.23 C ATOM 752 CD LYS A 46 13.569 8.998 -6.285 1.00 34.22 C ATOM 753 CE LYS A 46 13.665 9.919 -7.512 1.00 63.24 C ATOM 754 NZ LYS A 46 14.898 10.745 -7.474 1.00 41.02 N ATOM 0 H LYS A 46 11.364 8.410 -3.656 1.00 12.33 H new ATOM 0 HA LYS A 46 11.802 10.817 -5.053 1.00 44.05 H new ATOM 0 HB2 LYS A 46 10.119 8.424 -5.931 1.00 64.12 H new ATOM 0 HB3 LYS A 46 10.827 9.636 -6.981 1.00 64.12 H new ATOM 0 HG2 LYS A 46 12.298 7.504 -5.381 1.00 61.23 H new ATOM 0 HG3 LYS A 46 12.147 7.606 -7.124 1.00 61.23 H new ATOM 0 HD2 LYS A 46 13.670 9.598 -5.381 1.00 34.22 H new ATOM 0 HD3 LYS A 46 14.405 8.299 -6.299 1.00 34.22 H new ATOM 0 HE2 LYS A 46 13.656 9.318 -8.421 1.00 63.24 H new ATOM 0 HE3 LYS A 46 12.791 10.569 -7.550 1.00 63.24 H new ATOM 0 HZ1 LYS A 46 14.933 11.355 -8.315 1.00 41.02 H new ATOM 0 HZ2 LYS A 46 14.894 11.335 -6.618 1.00 41.02 H new ATOM 0 HZ3 LYS A 46 15.732 10.124 -7.462 1.00 41.02 H new ATOM 768 N ALA A 47 8.613 10.071 -4.366 1.00 43.24 N ATOM 769 CA ALA A 47 7.219 10.564 -4.270 1.00 13.33 C ATOM 770 C ALA A 47 7.076 11.704 -3.242 1.00 4.01 C ATOM 771 O ALA A 47 6.176 12.542 -3.364 1.00 74.44 O ATOM 772 CB ALA A 47 6.277 9.403 -3.919 1.00 75.21 C ATOM 0 H ALA A 47 8.715 9.095 -4.086 1.00 43.24 H new ATOM 0 HA ALA A 47 6.944 10.973 -5.242 1.00 13.33 H new ATOM 0 HB1 ALA A 47 5.254 9.773 -3.850 1.00 75.21 H new ATOM 0 HB2 ALA A 47 6.335 8.640 -4.695 1.00 75.21 H new ATOM 0 HB3 ALA A 47 6.572 8.971 -2.963 1.00 75.21 H new ATOM 778 N ARG A 48 7.965 11.701 -2.229 1.00 62.31 N ATOM 779 CA ARG A 48 8.091 12.784 -1.236 1.00 71.35 C ATOM 780 C ARG A 48 8.549 14.094 -1.916 1.00 1.31 C ATOM 781 O ARG A 48 7.987 15.162 -1.661 1.00 33.35 O ATOM 782 CB ARG A 48 9.092 12.354 -0.117 1.00 21.53 C ATOM 783 CG ARG A 48 9.474 13.450 0.912 1.00 41.01 C ATOM 784 CD ARG A 48 8.271 14.008 1.699 1.00 53.33 C ATOM 785 NE ARG A 48 8.669 15.061 2.649 1.00 75.32 N ATOM 786 CZ ARG A 48 8.420 16.377 2.518 1.00 25.41 C ATOM 787 NH1 ARG A 48 7.766 16.849 1.463 1.00 1.42 N ATOM 788 NH2 ARG A 48 8.832 17.213 3.455 1.00 72.01 N ATOM 0 H ARG A 48 8.623 10.937 -2.076 1.00 62.31 H new ATOM 0 HA ARG A 48 7.117 12.969 -0.782 1.00 71.35 H new ATOM 0 HB2 ARG A 48 8.662 11.511 0.423 1.00 21.53 H new ATOM 0 HB3 ARG A 48 10.005 11.996 -0.592 1.00 21.53 H new ATOM 0 HG2 ARG A 48 10.198 13.039 1.616 1.00 41.01 H new ATOM 0 HG3 ARG A 48 9.967 14.270 0.390 1.00 41.01 H new ATOM 0 HD2 ARG A 48 7.537 14.409 1.001 1.00 53.33 H new ATOM 0 HD3 ARG A 48 7.785 13.197 2.241 1.00 53.33 H new ATOM 0 HE ARG A 48 9.179 14.766 3.481 1.00 75.32 H new ATOM 0 HH11 ARG A 48 7.444 16.211 0.735 1.00 1.42 H new ATOM 0 HH12 ARG A 48 7.586 17.850 1.380 1.00 1.42 H new ATOM 0 HH21 ARG A 48 9.334 16.859 4.269 1.00 72.01 H new ATOM 0 HH22 ARG A 48 8.648 18.212 3.364 1.00 72.01 H new ATOM 802 N LYS A 49 9.554 13.983 -2.798 1.00 41.50 N ATOM 803 CA LYS A 49 10.152 15.142 -3.502 1.00 42.03 C ATOM 804 C LYS A 49 9.246 15.646 -4.639 1.00 21.33 C ATOM 805 O LYS A 49 9.291 16.825 -4.996 1.00 71.24 O ATOM 806 CB LYS A 49 11.547 14.750 -4.043 1.00 31.31 C ATOM 807 CG LYS A 49 12.553 14.387 -2.934 1.00 34.14 C ATOM 808 CD LYS A 49 12.886 15.590 -2.014 1.00 72.24 C ATOM 809 CE LYS A 49 13.793 15.199 -0.843 1.00 71.13 C ATOM 810 NZ LYS A 49 14.995 14.456 -1.296 1.00 14.15 N ATOM 0 H LYS A 49 9.979 13.090 -3.047 1.00 41.50 H new ATOM 0 HA LYS A 49 10.257 15.962 -2.791 1.00 42.03 H new ATOM 0 HB2 LYS A 49 11.441 13.902 -4.719 1.00 31.31 H new ATOM 0 HB3 LYS A 49 11.947 15.577 -4.630 1.00 31.31 H new ATOM 0 HG2 LYS A 49 12.146 13.575 -2.331 1.00 34.14 H new ATOM 0 HG3 LYS A 49 13.472 14.017 -3.389 1.00 34.14 H new ATOM 0 HD2 LYS A 49 13.372 16.369 -2.601 1.00 72.24 H new ATOM 0 HD3 LYS A 49 11.960 16.014 -1.626 1.00 72.24 H new ATOM 0 HE2 LYS A 49 14.102 16.097 -0.308 1.00 71.13 H new ATOM 0 HE3 LYS A 49 13.232 14.585 -0.138 1.00 71.13 H new ATOM 0 HZ1 LYS A 49 15.697 14.432 -0.529 1.00 14.15 H new ATOM 0 HZ2 LYS A 49 14.727 13.484 -1.551 1.00 14.15 H new ATOM 0 HZ3 LYS A 49 15.404 14.931 -2.126 1.00 14.15 H new ATOM 824 N GLN A 50 8.430 14.740 -5.191 1.00 44.33 N ATOM 825 CA GLN A 50 7.441 15.062 -6.242 1.00 64.31 C ATOM 826 C GLN A 50 6.145 15.608 -5.613 1.00 44.13 C ATOM 827 O GLN A 50 5.413 16.381 -6.242 1.00 52.32 O ATOM 828 CB GLN A 50 7.151 13.792 -7.080 1.00 3.34 C ATOM 829 CG GLN A 50 8.403 13.176 -7.741 1.00 61.03 C ATOM 830 CD GLN A 50 8.135 11.818 -8.384 1.00 61.04 C ATOM 831 OE1 GLN A 50 8.226 10.786 -7.726 1.00 23.24 O ATOM 832 NE2 GLN A 50 7.823 11.800 -9.670 1.00 23.42 N ATOM 0 H GLN A 50 8.433 13.756 -4.924 1.00 44.33 H new ATOM 0 HA GLN A 50 7.847 15.834 -6.895 1.00 64.31 H new ATOM 0 HB2 GLN A 50 6.687 13.044 -6.438 1.00 3.34 H new ATOM 0 HB3 GLN A 50 6.427 14.039 -7.857 1.00 3.34 H new ATOM 0 HG2 GLN A 50 8.781 13.862 -8.499 1.00 61.03 H new ATOM 0 HG3 GLN A 50 9.186 13.068 -6.991 1.00 61.03 H new ATOM 0 HE21 GLN A 50 7.755 12.675 -10.191 1.00 23.42 H new ATOM 0 HE22 GLN A 50 7.651 10.912 -10.141 1.00 23.42 H new ATOM 841 N GLY A 51 5.885 15.197 -4.355 1.00 55.32 N ATOM 842 CA GLY A 51 4.662 15.566 -3.638 1.00 5.20 C ATOM 843 C GLY A 51 3.418 14.878 -4.183 1.00 75.14 C ATOM 844 O GLY A 51 2.297 15.365 -3.987 1.00 2.24 O ATOM 0 H GLY A 51 6.517 14.604 -3.816 1.00 55.32 H new ATOM 0 HA2 GLY A 51 4.776 15.314 -2.584 1.00 5.20 H new ATOM 0 HA3 GLY A 51 4.527 16.646 -3.695 1.00 5.20 H new ATOM 848 N ARG A 52 3.623 13.729 -4.852 1.00 54.23 N ATOM 849 CA ARG A 52 2.554 12.976 -5.533 1.00 53.40 C ATOM 850 C ARG A 52 2.177 11.714 -4.722 1.00 15.44 C ATOM 851 O ARG A 52 2.953 11.276 -3.854 1.00 22.53 O ATOM 852 CB ARG A 52 3.006 12.562 -6.967 1.00 4.51 C ATOM 853 CG ARG A 52 4.178 11.545 -7.021 1.00 10.31 C ATOM 854 CD ARG A 52 4.394 10.963 -8.429 1.00 14.40 C ATOM 855 NE ARG A 52 4.659 12.005 -9.444 1.00 41.42 N ATOM 856 CZ ARG A 52 3.961 12.186 -10.582 1.00 71.52 C ATOM 857 NH1 ARG A 52 2.927 11.404 -10.880 1.00 41.14 N ATOM 858 NH2 ARG A 52 4.300 13.158 -11.412 1.00 32.44 N ATOM 0 H ARG A 52 4.542 13.294 -4.936 1.00 54.23 H new ATOM 0 HA ARG A 52 1.680 13.623 -5.609 1.00 53.40 H new ATOM 0 HB2 ARG A 52 2.151 12.135 -7.491 1.00 4.51 H new ATOM 0 HB3 ARG A 52 3.299 13.459 -7.512 1.00 4.51 H new ATOM 0 HG2 ARG A 52 5.094 12.034 -6.690 1.00 10.31 H new ATOM 0 HG3 ARG A 52 3.981 10.732 -6.322 1.00 10.31 H new ATOM 0 HD2 ARG A 52 5.231 10.265 -8.404 1.00 14.40 H new ATOM 0 HD3 ARG A 52 3.512 10.393 -8.721 1.00 14.40 H new ATOM 0 HE ARG A 52 5.437 12.641 -9.268 1.00 41.42 H new ATOM 0 HH11 ARG A 52 2.653 10.656 -10.243 1.00 41.14 H new ATOM 0 HH12 ARG A 52 2.408 11.553 -11.745 1.00 41.14 H new ATOM 0 HH21 ARG A 52 5.087 13.767 -11.190 1.00 32.44 H new ATOM 0 HH22 ARG A 52 3.774 13.299 -12.275 1.00 32.44 H new ATOM 872 N PRO A 53 0.968 11.118 -4.970 1.00 2.10 N ATOM 873 CA PRO A 53 0.643 9.767 -4.468 1.00 11.10 C ATOM 874 C PRO A 53 1.448 8.659 -5.195 1.00 3.25 C ATOM 875 O PRO A 53 1.912 8.838 -6.339 1.00 34.20 O ATOM 876 CB PRO A 53 -0.877 9.634 -4.730 1.00 44.44 C ATOM 877 CG PRO A 53 -1.151 10.569 -5.873 1.00 21.44 C ATOM 878 CD PRO A 53 -0.195 11.729 -5.691 1.00 33.43 C ATOM 0 HA PRO A 53 0.904 9.645 -3.417 1.00 11.10 H new ATOM 0 HB2 PRO A 53 -1.147 8.609 -4.984 1.00 44.44 H new ATOM 0 HB3 PRO A 53 -1.456 9.907 -3.848 1.00 44.44 H new ATOM 0 HG2 PRO A 53 -0.989 10.075 -6.831 1.00 21.44 H new ATOM 0 HG3 PRO A 53 -2.186 10.909 -5.861 1.00 21.44 H new ATOM 0 HD2 PRO A 53 0.106 12.155 -6.648 1.00 33.43 H new ATOM 0 HD3 PRO A 53 -0.647 12.534 -5.112 1.00 33.43 H new ATOM 886 N ILE A 54 1.575 7.517 -4.516 1.00 2.20 N ATOM 887 CA ILE A 54 2.302 6.344 -4.999 1.00 43.20 C ATOM 888 C ILE A 54 1.671 5.098 -4.360 1.00 74.15 C ATOM 889 O ILE A 54 1.281 5.131 -3.193 1.00 41.31 O ATOM 890 CB ILE A 54 3.850 6.436 -4.680 1.00 22.23 C ATOM 891 CG1 ILE A 54 4.637 5.258 -5.344 1.00 4.32 C ATOM 892 CG2 ILE A 54 4.128 6.497 -3.150 1.00 42.32 C ATOM 893 CD1 ILE A 54 6.150 5.383 -5.267 1.00 1.24 C ATOM 0 H ILE A 54 1.164 7.380 -3.592 1.00 2.20 H new ATOM 0 HA ILE A 54 2.222 6.288 -6.085 1.00 43.20 H new ATOM 0 HB ILE A 54 4.208 7.370 -5.112 1.00 22.23 H new ATOM 0 HG12 ILE A 54 4.338 4.325 -4.867 1.00 4.32 H new ATOM 0 HG13 ILE A 54 4.344 5.188 -6.392 1.00 4.32 H new ATOM 0 HG21 ILE A 54 5.202 6.559 -2.978 1.00 42.32 H new ATOM 0 HG22 ILE A 54 3.641 7.375 -2.726 1.00 42.32 H new ATOM 0 HG23 ILE A 54 3.736 5.599 -2.673 1.00 42.32 H new ATOM 0 HD11 ILE A 54 6.611 4.523 -5.752 1.00 1.24 H new ATOM 0 HD12 ILE A 54 6.466 6.296 -5.771 1.00 1.24 H new ATOM 0 HD13 ILE A 54 6.459 5.419 -4.222 1.00 1.24 H new ATOM 905 N VAL A 55 1.516 4.024 -5.144 1.00 52.35 N ATOM 906 CA VAL A 55 0.954 2.753 -4.673 1.00 75.14 C ATOM 907 C VAL A 55 2.010 1.661 -4.875 1.00 32.43 C ATOM 908 O VAL A 55 2.379 1.350 -6.015 1.00 3.24 O ATOM 909 CB VAL A 55 -0.383 2.372 -5.428 1.00 25.14 C ATOM 910 CG1 VAL A 55 -1.039 1.118 -4.801 1.00 52.24 C ATOM 911 CG2 VAL A 55 -1.383 3.558 -5.461 1.00 42.02 C ATOM 0 H VAL A 55 1.779 4.013 -6.129 1.00 52.35 H new ATOM 0 HA VAL A 55 0.697 2.852 -3.618 1.00 75.14 H new ATOM 0 HB VAL A 55 -0.116 2.139 -6.459 1.00 25.14 H new ATOM 0 HG11 VAL A 55 -1.956 0.879 -5.340 1.00 52.24 H new ATOM 0 HG12 VAL A 55 -0.350 0.276 -4.866 1.00 52.24 H new ATOM 0 HG13 VAL A 55 -1.274 1.315 -3.755 1.00 52.24 H new ATOM 0 HG21 VAL A 55 -2.288 3.256 -5.988 1.00 42.02 H new ATOM 0 HG22 VAL A 55 -1.637 3.849 -4.442 1.00 42.02 H new ATOM 0 HG23 VAL A 55 -0.928 4.404 -5.977 1.00 42.02 H new ATOM 921 N ILE A 56 2.512 1.115 -3.763 1.00 40.42 N ATOM 922 CA ILE A 56 3.514 0.052 -3.767 1.00 3.34 C ATOM 923 C ILE A 56 2.800 -1.298 -3.592 1.00 51.41 C ATOM 924 O ILE A 56 1.982 -1.449 -2.687 1.00 53.32 O ATOM 925 CB ILE A 56 4.576 0.228 -2.619 1.00 34.43 C ATOM 926 CG1 ILE A 56 5.245 1.646 -2.657 1.00 44.43 C ATOM 927 CG2 ILE A 56 5.649 -0.889 -2.698 1.00 31.53 C ATOM 928 CD1 ILE A 56 6.151 1.910 -3.855 1.00 4.23 C ATOM 0 H ILE A 56 2.229 1.404 -2.827 1.00 40.42 H new ATOM 0 HA ILE A 56 4.048 0.095 -4.716 1.00 3.34 H new ATOM 0 HB ILE A 56 4.051 0.143 -1.667 1.00 34.43 H new ATOM 0 HG12 ILE A 56 4.458 2.401 -2.645 1.00 44.43 H new ATOM 0 HG13 ILE A 56 5.828 1.778 -1.746 1.00 44.43 H new ATOM 0 HG21 ILE A 56 6.376 -0.753 -1.897 1.00 31.53 H new ATOM 0 HG22 ILE A 56 5.170 -1.862 -2.591 1.00 31.53 H new ATOM 0 HG23 ILE A 56 6.157 -0.838 -3.661 1.00 31.53 H new ATOM 0 HD11 ILE A 56 6.562 2.917 -3.785 1.00 4.23 H new ATOM 0 HD12 ILE A 56 6.965 1.185 -3.862 1.00 4.23 H new ATOM 0 HD13 ILE A 56 5.574 1.817 -4.775 1.00 4.23 H new ATOM 940 N PHE A 57 3.111 -2.258 -4.465 1.00 61.22 N ATOM 941 CA PHE A 57 2.575 -3.620 -4.407 1.00 72.31 C ATOM 942 C PHE A 57 3.723 -4.574 -4.023 1.00 4.22 C ATOM 943 O PHE A 57 4.601 -4.860 -4.841 1.00 0.15 O ATOM 944 CB PHE A 57 1.974 -4.006 -5.782 1.00 73.21 C ATOM 945 CG PHE A 57 0.890 -3.059 -6.295 1.00 25.24 C ATOM 946 CD1 PHE A 57 -0.451 -3.259 -5.960 1.00 43.21 C ATOM 947 CD2 PHE A 57 1.208 -1.976 -7.123 1.00 40.34 C ATOM 948 CE1 PHE A 57 -1.427 -2.402 -6.420 1.00 44.05 C ATOM 949 CE2 PHE A 57 0.227 -1.123 -7.580 1.00 41.41 C ATOM 950 CZ PHE A 57 -1.092 -1.342 -7.236 1.00 20.05 C ATOM 0 H PHE A 57 3.752 -2.109 -5.244 1.00 61.22 H new ATOM 0 HA PHE A 57 1.781 -3.688 -3.663 1.00 72.31 H new ATOM 0 HB2 PHE A 57 2.779 -4.047 -6.516 1.00 73.21 H new ATOM 0 HB3 PHE A 57 1.556 -5.010 -5.711 1.00 73.21 H new ATOM 0 HD1 PHE A 57 -0.726 -4.095 -5.333 1.00 43.21 H new ATOM 0 HD2 PHE A 57 2.236 -1.807 -7.407 1.00 40.34 H new ATOM 0 HE1 PHE A 57 -2.458 -2.561 -6.140 1.00 44.05 H new ATOM 0 HE2 PHE A 57 0.490 -0.284 -8.207 1.00 41.41 H new ATOM 0 HZ PHE A 57 -1.863 -0.682 -7.607 1.00 20.05 H new ATOM 960 N ILE A 58 3.736 -5.028 -2.766 1.00 13.10 N ATOM 961 CA ILE A 58 4.776 -5.934 -2.248 1.00 21.44 C ATOM 962 C ILE A 58 4.212 -7.357 -2.201 1.00 3.11 C ATOM 963 O ILE A 58 3.157 -7.589 -1.590 1.00 41.13 O ATOM 964 CB ILE A 58 5.257 -5.517 -0.805 1.00 1.10 C ATOM 965 CG1 ILE A 58 5.557 -3.985 -0.742 1.00 62.53 C ATOM 966 CG2 ILE A 58 6.506 -6.347 -0.382 1.00 35.51 C ATOM 967 CD1 ILE A 58 5.783 -3.439 0.654 1.00 32.03 C ATOM 0 H ILE A 58 3.027 -4.780 -2.076 1.00 13.10 H new ATOM 0 HA ILE A 58 5.638 -5.878 -2.913 1.00 21.44 H new ATOM 0 HB ILE A 58 4.453 -5.731 -0.101 1.00 1.10 H new ATOM 0 HG12 ILE A 58 6.440 -3.777 -1.346 1.00 62.53 H new ATOM 0 HG13 ILE A 58 4.725 -3.447 -1.197 1.00 62.53 H new ATOM 0 HG21 ILE A 58 6.823 -6.045 0.616 1.00 35.51 H new ATOM 0 HG22 ILE A 58 6.254 -7.407 -0.377 1.00 35.51 H new ATOM 0 HG23 ILE A 58 7.317 -6.170 -1.089 1.00 35.51 H new ATOM 0 HD11 ILE A 58 5.984 -2.369 0.598 1.00 32.03 H new ATOM 0 HD12 ILE A 58 4.893 -3.610 1.260 1.00 32.03 H new ATOM 0 HD13 ILE A 58 6.635 -3.945 1.109 1.00 32.03 H new ATOM 979 N ARG A 59 4.908 -8.305 -2.850 1.00 2.24 N ATOM 980 CA ARG A 59 4.502 -9.711 -2.860 1.00 64.03 C ATOM 981 C ARG A 59 5.214 -10.469 -1.738 1.00 60.22 C ATOM 982 O ARG A 59 6.436 -10.660 -1.794 1.00 10.14 O ATOM 983 CB ARG A 59 4.792 -10.375 -4.226 1.00 72.34 C ATOM 984 CG ARG A 59 4.116 -11.750 -4.383 1.00 14.44 C ATOM 985 CD ARG A 59 4.324 -12.378 -5.760 1.00 12.14 C ATOM 986 NE ARG A 59 5.742 -12.620 -6.054 1.00 14.31 N ATOM 987 CZ ARG A 59 6.223 -13.620 -6.801 1.00 22.20 C ATOM 988 NH1 ARG A 59 5.409 -14.514 -7.354 1.00 54.23 N ATOM 989 NH2 ARG A 59 7.527 -13.712 -7.013 1.00 71.01 N ATOM 0 H ARG A 59 5.761 -8.116 -3.377 1.00 2.24 H new ATOM 0 HA ARG A 59 3.425 -9.752 -2.694 1.00 64.03 H new ATOM 0 HB2 ARG A 59 4.451 -9.715 -5.024 1.00 72.34 H new ATOM 0 HB3 ARG A 59 5.869 -10.490 -4.346 1.00 72.34 H new ATOM 0 HG2 ARG A 59 4.505 -12.426 -3.622 1.00 14.44 H new ATOM 0 HG3 ARG A 59 3.047 -11.644 -4.199 1.00 14.44 H new ATOM 0 HD2 ARG A 59 3.778 -13.320 -5.813 1.00 12.14 H new ATOM 0 HD3 ARG A 59 3.904 -11.723 -6.523 1.00 12.14 H new ATOM 0 HE ARG A 59 6.419 -11.970 -5.654 1.00 14.31 H new ATOM 0 HH11 ARG A 59 4.401 -14.443 -7.211 1.00 54.23 H new ATOM 0 HH12 ARG A 59 5.792 -15.271 -7.921 1.00 54.23 H new ATOM 0 HH21 ARG A 59 8.160 -13.022 -6.607 1.00 71.01 H new ATOM 0 HH22 ARG A 59 7.899 -14.473 -7.582 1.00 71.01 H new ATOM 1003 N GLY A 60 4.436 -10.868 -0.721 1.00 25.24 N ATOM 1004 CA GLY A 60 4.938 -11.667 0.387 1.00 33.24 C ATOM 1005 C GLY A 60 5.718 -10.833 1.380 1.00 42.41 C ATOM 1006 O GLY A 60 6.930 -11.011 1.534 1.00 73.33 O ATOM 0 H GLY A 60 3.444 -10.642 -0.651 1.00 25.24 H new ATOM 0 HA2 GLY A 60 4.102 -12.148 0.895 1.00 33.24 H new ATOM 0 HA3 GLY A 60 5.576 -12.462 0.001 1.00 33.24 H new ATOM 1010 N ALA A 61 5.020 -9.896 2.033 1.00 30.33 N ATOM 1011 CA ALA A 61 5.610 -9.009 3.039 1.00 2.23 C ATOM 1012 C ALA A 61 5.224 -9.497 4.437 1.00 31.51 C ATOM 1013 O ALA A 61 4.035 -9.538 4.773 1.00 1.15 O ATOM 1014 CB ALA A 61 5.137 -7.561 2.825 1.00 13.54 C ATOM 0 H ALA A 61 4.025 -9.732 1.877 1.00 30.33 H new ATOM 0 HA ALA A 61 6.695 -9.028 2.940 1.00 2.23 H new ATOM 0 HB1 ALA A 61 5.585 -6.916 3.581 1.00 13.54 H new ATOM 0 HB2 ALA A 61 5.439 -7.222 1.834 1.00 13.54 H new ATOM 0 HB3 ALA A 61 4.051 -7.517 2.908 1.00 13.54 H new ATOM 1020 N THR A 62 6.234 -9.897 5.225 1.00 50.11 N ATOM 1021 CA THR A 62 6.064 -10.204 6.656 1.00 54.43 C ATOM 1022 C THR A 62 5.924 -8.888 7.448 1.00 41.15 C ATOM 1023 O THR A 62 6.076 -7.794 6.870 1.00 3.14 O ATOM 1024 CB THR A 62 7.273 -11.047 7.203 1.00 61.14 C ATOM 1025 OG1 THR A 62 7.019 -11.467 8.557 1.00 63.54 O ATOM 1026 CG2 THR A 62 8.615 -10.277 7.152 1.00 61.11 C ATOM 0 H THR A 62 7.190 -10.017 4.890 1.00 50.11 H new ATOM 0 HA THR A 62 5.161 -10.802 6.781 1.00 54.43 H new ATOM 0 HB THR A 62 7.365 -11.914 6.549 1.00 61.14 H new ATOM 0 HG1 THR A 62 7.779 -11.992 8.885 1.00 63.54 H new ATOM 0 HG21 THR A 62 9.412 -10.909 7.542 1.00 61.11 H new ATOM 0 HG22 THR A 62 8.839 -10.005 6.121 1.00 61.11 H new ATOM 0 HG23 THR A 62 8.539 -9.374 7.757 1.00 61.11 H new ATOM 1034 N GLU A 63 5.657 -9.006 8.765 1.00 3.35 N ATOM 1035 CA GLU A 63 5.548 -7.859 9.678 1.00 44.10 C ATOM 1036 C GLU A 63 6.768 -6.931 9.548 1.00 52.42 C ATOM 1037 O GLU A 63 6.604 -5.739 9.333 1.00 40.30 O ATOM 1038 CB GLU A 63 5.420 -8.346 11.138 1.00 64.43 C ATOM 1039 CG GLU A 63 5.259 -7.208 12.180 1.00 62.52 C ATOM 1040 CD GLU A 63 5.369 -7.660 13.647 1.00 23.43 C ATOM 1041 OE1 GLU A 63 5.426 -8.883 13.922 1.00 21.45 O ATOM 1042 OE2 GLU A 63 5.405 -6.790 14.542 1.00 65.20 O ATOM 0 H GLU A 63 5.511 -9.906 9.223 1.00 3.35 H new ATOM 0 HA GLU A 63 4.654 -7.298 9.405 1.00 44.10 H new ATOM 0 HB2 GLU A 63 4.562 -9.014 11.212 1.00 64.43 H new ATOM 0 HB3 GLU A 63 6.303 -8.932 11.392 1.00 64.43 H new ATOM 0 HG2 GLU A 63 6.018 -6.449 11.990 1.00 62.52 H new ATOM 0 HG3 GLU A 63 4.289 -6.733 12.032 1.00 62.52 H new ATOM 1049 N GLU A 64 7.975 -7.538 9.601 1.00 2.54 N ATOM 1050 CA GLU A 64 9.270 -6.823 9.577 1.00 54.14 C ATOM 1051 C GLU A 64 9.436 -5.920 8.339 1.00 0.52 C ATOM 1052 O GLU A 64 10.035 -4.843 8.431 1.00 2.52 O ATOM 1053 CB GLU A 64 10.434 -7.846 9.661 1.00 73.03 C ATOM 1054 CG GLU A 64 10.497 -8.620 10.993 1.00 64.41 C ATOM 1055 CD GLU A 64 10.692 -7.699 12.214 1.00 75.04 C ATOM 1056 OE1 GLU A 64 9.696 -7.372 12.903 1.00 15.11 O ATOM 1057 OE2 GLU A 64 11.843 -7.296 12.483 1.00 73.12 O ATOM 0 H GLU A 64 8.078 -8.551 9.662 1.00 2.54 H new ATOM 0 HA GLU A 64 9.291 -6.164 10.445 1.00 54.14 H new ATOM 0 HB2 GLU A 64 10.336 -8.560 8.843 1.00 73.03 H new ATOM 0 HB3 GLU A 64 11.377 -7.320 9.514 1.00 73.03 H new ATOM 0 HG2 GLU A 64 9.578 -9.192 11.119 1.00 64.41 H new ATOM 0 HG3 GLU A 64 11.316 -9.338 10.952 1.00 64.41 H new ATOM 1064 N VAL A 65 8.901 -6.369 7.193 1.00 1.40 N ATOM 1065 CA VAL A 65 8.908 -5.587 5.952 1.00 32.14 C ATOM 1066 C VAL A 65 7.927 -4.397 6.073 1.00 73.43 C ATOM 1067 O VAL A 65 8.334 -3.228 5.931 1.00 63.40 O ATOM 1068 CB VAL A 65 8.549 -6.500 4.714 1.00 64.33 C ATOM 1069 CG1 VAL A 65 8.405 -5.688 3.405 1.00 23.24 C ATOM 1070 CG2 VAL A 65 9.595 -7.633 4.547 1.00 52.10 C ATOM 0 H VAL A 65 8.454 -7.281 7.103 1.00 1.40 H new ATOM 0 HA VAL A 65 9.911 -5.191 5.789 1.00 32.14 H new ATOM 0 HB VAL A 65 7.577 -6.948 4.918 1.00 64.33 H new ATOM 0 HG11 VAL A 65 8.158 -6.362 2.584 1.00 23.24 H new ATOM 0 HG12 VAL A 65 7.611 -4.950 3.520 1.00 23.24 H new ATOM 0 HG13 VAL A 65 9.344 -5.180 3.187 1.00 23.24 H new ATOM 0 HG21 VAL A 65 9.329 -8.250 3.689 1.00 52.10 H new ATOM 0 HG22 VAL A 65 10.581 -7.197 4.389 1.00 52.10 H new ATOM 0 HG23 VAL A 65 9.611 -8.249 5.446 1.00 52.10 H new ATOM 1080 N VAL A 66 6.658 -4.706 6.413 1.00 31.30 N ATOM 1081 CA VAL A 66 5.564 -3.715 6.412 1.00 40.10 C ATOM 1082 C VAL A 66 5.824 -2.584 7.438 1.00 44.13 C ATOM 1083 O VAL A 66 5.902 -1.421 7.045 1.00 25.44 O ATOM 1084 CB VAL A 66 4.160 -4.377 6.684 1.00 43.42 C ATOM 1085 CG1 VAL A 66 3.017 -3.333 6.560 1.00 64.03 C ATOM 1086 CG2 VAL A 66 3.917 -5.585 5.743 1.00 12.25 C ATOM 0 H VAL A 66 6.366 -5.642 6.694 1.00 31.30 H new ATOM 0 HA VAL A 66 5.542 -3.283 5.412 1.00 40.10 H new ATOM 0 HB VAL A 66 4.162 -4.750 7.708 1.00 43.42 H new ATOM 0 HG11 VAL A 66 2.060 -3.817 6.753 1.00 64.03 H new ATOM 0 HG12 VAL A 66 3.173 -2.535 7.286 1.00 64.03 H new ATOM 0 HG13 VAL A 66 3.015 -2.913 5.554 1.00 64.03 H new ATOM 0 HG21 VAL A 66 2.940 -6.020 5.955 1.00 12.25 H new ATOM 0 HG22 VAL A 66 3.948 -5.250 4.706 1.00 12.25 H new ATOM 0 HG23 VAL A 66 4.691 -6.335 5.906 1.00 12.25 H new ATOM 1096 N ARG A 67 6.012 -2.959 8.730 1.00 11.20 N ATOM 1097 CA ARG A 67 6.235 -2.006 9.858 1.00 65.53 C ATOM 1098 C ARG A 67 7.340 -0.972 9.552 1.00 40.24 C ATOM 1099 O ARG A 67 7.193 0.207 9.863 1.00 61.55 O ATOM 1100 CB ARG A 67 6.594 -2.773 11.179 1.00 22.43 C ATOM 1101 CG ARG A 67 7.920 -3.582 11.135 1.00 13.21 C ATOM 1102 CD ARG A 67 8.283 -4.289 12.461 1.00 22.53 C ATOM 1103 NE ARG A 67 8.821 -3.361 13.478 1.00 44.24 N ATOM 1104 CZ ARG A 67 9.729 -3.676 14.428 1.00 42.50 C ATOM 1105 NH1 ARG A 67 10.229 -4.909 14.528 1.00 51.02 N ATOM 1106 NH2 ARG A 67 10.147 -2.737 15.270 1.00 3.21 N ATOM 0 H ARG A 67 6.014 -3.936 9.024 1.00 11.20 H new ATOM 0 HA ARG A 67 5.297 -1.467 9.990 1.00 65.53 H new ATOM 0 HB2 ARG A 67 6.654 -2.052 11.994 1.00 22.43 H new ATOM 0 HB3 ARG A 67 5.778 -3.456 11.417 1.00 22.43 H new ATOM 0 HG2 ARG A 67 7.848 -4.331 10.346 1.00 13.21 H new ATOM 0 HG3 ARG A 67 8.733 -2.909 10.862 1.00 13.21 H new ATOM 0 HD2 ARG A 67 7.396 -4.782 12.859 1.00 22.53 H new ATOM 0 HD3 ARG A 67 9.019 -5.068 12.262 1.00 22.53 H new ATOM 0 HE ARG A 67 8.478 -2.401 13.461 1.00 44.24 H new ATOM 0 HH11 ARG A 67 9.927 -5.636 13.880 1.00 51.02 H new ATOM 0 HH12 ARG A 67 10.913 -5.125 15.253 1.00 51.02 H new ATOM 0 HH21 ARG A 67 9.783 -1.787 15.196 1.00 3.21 H new ATOM 0 HH22 ARG A 67 10.832 -2.966 15.990 1.00 3.21 H new ATOM 1120 N ASP A 68 8.413 -1.444 8.894 1.00 12.44 N ATOM 1121 CA ASP A 68 9.649 -0.683 8.663 1.00 13.52 C ATOM 1122 C ASP A 68 9.500 0.294 7.475 1.00 4.12 C ATOM 1123 O ASP A 68 10.070 1.391 7.481 1.00 13.21 O ATOM 1124 CB ASP A 68 10.799 -1.693 8.450 1.00 71.21 C ATOM 1125 CG ASP A 68 12.170 -1.058 8.182 1.00 31.32 C ATOM 1126 OD1 ASP A 68 12.836 -1.446 7.207 1.00 35.34 O ATOM 1127 OD2 ASP A 68 12.592 -0.181 8.956 1.00 31.01 O ATOM 0 H ASP A 68 8.444 -2.385 8.501 1.00 12.44 H new ATOM 0 HA ASP A 68 9.872 -0.060 9.529 1.00 13.52 H new ATOM 0 HB2 ASP A 68 10.874 -2.328 9.333 1.00 71.21 H new ATOM 0 HB3 ASP A 68 10.544 -2.341 7.612 1.00 71.21 H new ATOM 1132 N ILE A 69 8.728 -0.121 6.459 1.00 70.22 N ATOM 1133 CA ILE A 69 8.390 0.731 5.295 1.00 12.43 C ATOM 1134 C ILE A 69 7.370 1.825 5.684 1.00 33.02 C ATOM 1135 O ILE A 69 7.495 2.997 5.276 1.00 42.45 O ATOM 1136 CB ILE A 69 7.821 -0.158 4.133 1.00 34.31 C ATOM 1137 CG1 ILE A 69 8.938 -1.079 3.551 1.00 23.50 C ATOM 1138 CG2 ILE A 69 7.157 0.688 3.023 1.00 15.40 C ATOM 1139 CD1 ILE A 69 8.445 -2.068 2.518 1.00 1.25 C ATOM 0 H ILE A 69 8.318 -1.054 6.416 1.00 70.22 H new ATOM 0 HA ILE A 69 9.299 1.227 4.955 1.00 12.43 H new ATOM 0 HB ILE A 69 7.039 -0.789 4.556 1.00 34.31 H new ATOM 0 HG12 ILE A 69 9.711 -0.456 3.102 1.00 23.50 H new ATOM 0 HG13 ILE A 69 9.406 -1.627 4.369 1.00 23.50 H new ATOM 0 HG21 ILE A 69 6.778 0.030 2.241 1.00 15.40 H new ATOM 0 HG22 ILE A 69 6.332 1.261 3.446 1.00 15.40 H new ATOM 0 HG23 ILE A 69 7.892 1.371 2.598 1.00 15.40 H new ATOM 0 HD11 ILE A 69 9.281 -2.670 2.163 1.00 1.25 H new ATOM 0 HD12 ILE A 69 7.694 -2.718 2.966 1.00 1.25 H new ATOM 0 HD13 ILE A 69 8.004 -1.529 1.679 1.00 1.25 H new ATOM 1151 N VAL A 70 6.365 1.416 6.469 1.00 53.11 N ATOM 1152 CA VAL A 70 5.257 2.285 6.876 1.00 15.10 C ATOM 1153 C VAL A 70 5.774 3.414 7.789 1.00 30.22 C ATOM 1154 O VAL A 70 5.493 4.591 7.528 1.00 62.01 O ATOM 1155 CB VAL A 70 4.111 1.440 7.559 1.00 4.23 C ATOM 1156 CG1 VAL A 70 3.033 2.330 8.217 1.00 64.54 C ATOM 1157 CG2 VAL A 70 3.462 0.474 6.527 1.00 52.34 C ATOM 0 H VAL A 70 6.299 0.468 6.840 1.00 53.11 H new ATOM 0 HA VAL A 70 4.824 2.753 5.992 1.00 15.10 H new ATOM 0 HB VAL A 70 4.574 0.857 8.356 1.00 4.23 H new ATOM 0 HG11 VAL A 70 2.269 1.700 8.672 1.00 64.54 H new ATOM 0 HG12 VAL A 70 3.494 2.953 8.984 1.00 64.54 H new ATOM 0 HG13 VAL A 70 2.575 2.967 7.460 1.00 64.54 H new ATOM 0 HG21 VAL A 70 2.674 -0.101 7.013 1.00 52.34 H new ATOM 0 HG22 VAL A 70 3.036 1.051 5.706 1.00 52.34 H new ATOM 0 HG23 VAL A 70 4.220 -0.206 6.138 1.00 52.34 H new ATOM 1167 N GLU A 71 6.595 3.052 8.807 1.00 65.22 N ATOM 1168 CA GLU A 71 7.184 4.044 9.737 1.00 11.14 C ATOM 1169 C GLU A 71 8.134 5.002 8.999 1.00 21.23 C ATOM 1170 O GLU A 71 8.208 6.177 9.352 1.00 14.22 O ATOM 1171 CB GLU A 71 7.876 3.352 10.953 1.00 3.35 C ATOM 1172 CG GLU A 71 9.135 2.486 10.657 1.00 65.42 C ATOM 1173 CD GLU A 71 10.472 3.258 10.613 1.00 13.43 C ATOM 1174 OE1 GLU A 71 10.876 3.823 11.651 1.00 25.10 O ATOM 1175 OE2 GLU A 71 11.144 3.276 9.561 1.00 63.13 O ATOM 0 H GLU A 71 6.862 2.087 9.002 1.00 65.22 H new ATOM 0 HA GLU A 71 6.369 4.645 10.140 1.00 11.14 H new ATOM 0 HB2 GLU A 71 8.159 4.126 11.666 1.00 3.35 H new ATOM 0 HB3 GLU A 71 7.138 2.718 11.446 1.00 3.35 H new ATOM 0 HG2 GLU A 71 9.208 1.709 11.418 1.00 65.42 H new ATOM 0 HG3 GLU A 71 8.993 1.983 9.700 1.00 65.42 H new ATOM 1182 N TYR A 72 8.836 4.477 7.958 1.00 13.05 N ATOM 1183 CA TYR A 72 9.709 5.278 7.077 1.00 32.54 C ATOM 1184 C TYR A 72 8.922 6.451 6.473 1.00 52.34 C ATOM 1185 O TYR A 72 9.300 7.617 6.642 1.00 2.43 O ATOM 1186 CB TYR A 72 10.321 4.385 5.954 1.00 21.13 C ATOM 1187 CG TYR A 72 11.183 5.143 4.922 1.00 41.43 C ATOM 1188 CD1 TYR A 72 12.539 5.379 5.143 1.00 23.51 C ATOM 1189 CD2 TYR A 72 10.629 5.646 3.736 1.00 44.44 C ATOM 1190 CE1 TYR A 72 13.304 6.079 4.226 1.00 71.51 C ATOM 1191 CE2 TYR A 72 11.394 6.341 2.824 1.00 4.40 C ATOM 1192 CZ TYR A 72 12.726 6.559 3.072 1.00 11.33 C ATOM 1193 OH TYR A 72 13.483 7.259 2.159 1.00 53.24 O ATOM 0 H TYR A 72 8.808 3.487 7.712 1.00 13.05 H new ATOM 0 HA TYR A 72 10.528 5.683 7.672 1.00 32.54 H new ATOM 0 HB2 TYR A 72 10.932 3.610 6.418 1.00 21.13 H new ATOM 0 HB3 TYR A 72 9.510 3.880 5.429 1.00 21.13 H new ATOM 0 HD1 TYR A 72 13.001 5.009 6.046 1.00 23.51 H new ATOM 0 HD2 TYR A 72 9.581 5.485 3.533 1.00 44.44 H new ATOM 0 HE1 TYR A 72 14.354 6.249 4.416 1.00 71.51 H new ATOM 0 HE2 TYR A 72 10.945 6.714 1.915 1.00 4.40 H new ATOM 0 HH TYR A 72 13.358 6.874 1.267 1.00 53.24 H new ATOM 1203 N ALA A 73 7.808 6.112 5.807 1.00 62.34 N ATOM 1204 CA ALA A 73 6.951 7.085 5.113 1.00 4.03 C ATOM 1205 C ALA A 73 6.321 8.100 6.092 1.00 14.54 C ATOM 1206 O ALA A 73 6.165 9.272 5.751 1.00 35.13 O ATOM 1207 CB ALA A 73 5.879 6.341 4.309 1.00 72.51 C ATOM 0 H ALA A 73 7.475 5.151 5.734 1.00 62.34 H new ATOM 0 HA ALA A 73 7.570 7.663 4.427 1.00 4.03 H new ATOM 0 HB1 ALA A 73 5.244 7.062 3.795 1.00 72.51 H new ATOM 0 HB2 ALA A 73 6.359 5.692 3.576 1.00 72.51 H new ATOM 0 HB3 ALA A 73 5.271 5.738 4.984 1.00 72.51 H new ATOM 1213 N GLN A 74 6.000 7.647 7.319 1.00 41.14 N ATOM 1214 CA GLN A 74 5.419 8.512 8.376 1.00 35.03 C ATOM 1215 C GLN A 74 6.455 9.529 8.914 1.00 22.31 C ATOM 1216 O GLN A 74 6.086 10.641 9.306 1.00 14.52 O ATOM 1217 CB GLN A 74 4.844 7.640 9.523 1.00 1.13 C ATOM 1218 CG GLN A 74 3.711 6.697 9.069 1.00 33.44 C ATOM 1219 CD GLN A 74 3.221 5.758 10.167 1.00 43.04 C ATOM 1220 OE1 GLN A 74 3.775 4.683 10.368 1.00 43.24 O ATOM 1221 NE2 GLN A 74 2.166 6.134 10.860 1.00 50.03 N ATOM 0 H GLN A 74 6.133 6.678 7.609 1.00 41.14 H new ATOM 0 HA GLN A 74 4.605 9.087 7.934 1.00 35.03 H new ATOM 0 HB2 GLN A 74 5.649 7.046 9.956 1.00 1.13 H new ATOM 0 HB3 GLN A 74 4.469 8.292 10.312 1.00 1.13 H new ATOM 0 HG2 GLN A 74 2.872 7.295 8.713 1.00 33.44 H new ATOM 0 HG3 GLN A 74 4.060 6.104 8.224 1.00 33.44 H new ATOM 0 HE21 GLN A 74 1.726 7.034 10.671 1.00 50.03 H new ATOM 0 HE22 GLN A 74 1.789 5.525 11.586 1.00 50.03 H new ATOM 1230 N LYS A 75 7.752 9.149 8.902 1.00 30.32 N ATOM 1231 CA LYS A 75 8.865 10.060 9.289 1.00 2.41 C ATOM 1232 C LYS A 75 9.166 11.070 8.158 1.00 14.04 C ATOM 1233 O LYS A 75 9.742 12.133 8.410 1.00 51.20 O ATOM 1234 CB LYS A 75 10.139 9.252 9.647 1.00 34.32 C ATOM 1235 CG LYS A 75 9.979 8.298 10.857 1.00 12.35 C ATOM 1236 CD LYS A 75 11.245 7.442 11.134 1.00 14.15 C ATOM 1237 CE LYS A 75 11.718 6.653 9.897 1.00 34.41 C ATOM 1238 NZ LYS A 75 12.793 5.679 10.221 1.00 0.24 N ATOM 0 H LYS A 75 8.060 8.216 8.628 1.00 30.32 H new ATOM 0 HA LYS A 75 8.552 10.617 10.172 1.00 2.41 H new ATOM 0 HB2 LYS A 75 10.439 8.667 8.777 1.00 34.32 H new ATOM 0 HB3 LYS A 75 10.949 9.950 9.856 1.00 34.32 H new ATOM 0 HG2 LYS A 75 9.744 8.885 11.745 1.00 12.35 H new ATOM 0 HG3 LYS A 75 9.132 7.635 10.679 1.00 12.35 H new ATOM 0 HD2 LYS A 75 12.051 8.093 11.473 1.00 14.15 H new ATOM 0 HD3 LYS A 75 11.036 6.745 11.945 1.00 14.15 H new ATOM 0 HE2 LYS A 75 10.871 6.123 9.462 1.00 34.41 H new ATOM 0 HE3 LYS A 75 12.080 7.350 9.141 1.00 34.41 H new ATOM 0 HZ1 LYS A 75 13.656 5.928 9.697 1.00 0.24 H new ATOM 0 HZ2 LYS A 75 12.988 5.704 11.242 1.00 0.24 H new ATOM 0 HZ3 LYS A 75 12.488 4.722 9.951 1.00 0.24 H new ATOM 1252 N GLU A 76 8.776 10.720 6.911 1.00 60.22 N ATOM 1253 CA GLU A 76 8.806 11.655 5.761 1.00 44.30 C ATOM 1254 C GLU A 76 7.609 12.633 5.837 1.00 65.32 C ATOM 1255 O GLU A 76 7.593 13.659 5.145 1.00 44.42 O ATOM 1256 CB GLU A 76 8.757 10.871 4.416 1.00 73.41 C ATOM 1257 CG GLU A 76 9.822 9.765 4.237 1.00 62.24 C ATOM 1258 CD GLU A 76 11.263 10.287 4.072 1.00 73.21 C ATOM 1259 OE1 GLU A 76 11.785 10.289 2.934 1.00 32.24 O ATOM 1260 OE2 GLU A 76 11.884 10.688 5.083 1.00 11.14 O ATOM 0 H GLU A 76 8.434 9.789 6.674 1.00 60.22 H new ATOM 0 HA GLU A 76 9.736 12.221 5.805 1.00 44.30 H new ATOM 0 HB2 GLU A 76 7.771 10.417 4.319 1.00 73.41 H new ATOM 0 HB3 GLU A 76 8.862 11.584 3.599 1.00 73.41 H new ATOM 0 HG2 GLU A 76 9.786 9.100 5.100 1.00 62.24 H new ATOM 0 HG3 GLU A 76 9.563 9.167 3.363 1.00 62.24 H new ATOM 1267 N GLY A 77 6.611 12.287 6.687 1.00 74.42 N ATOM 1268 CA GLY A 77 5.389 13.075 6.863 1.00 34.51 C ATOM 1269 C GLY A 77 4.351 12.770 5.792 1.00 15.33 C ATOM 1270 O GLY A 77 3.615 13.658 5.354 1.00 74.41 O ATOM 0 H GLY A 77 6.642 11.449 7.267 1.00 74.42 H new ATOM 0 HA2 GLY A 77 4.965 12.871 7.846 1.00 34.51 H new ATOM 0 HA3 GLY A 77 5.636 14.136 6.836 1.00 34.51 H new ATOM 1274 N LEU A 78 4.309 11.499 5.360 1.00 34.31 N ATOM 1275 CA LEU A 78 3.428 11.032 4.275 1.00 23.51 C ATOM 1276 C LEU A 78 2.314 10.150 4.848 1.00 31.13 C ATOM 1277 O LEU A 78 2.550 9.372 5.787 1.00 33.22 O ATOM 1278 CB LEU A 78 4.260 10.256 3.212 1.00 12.01 C ATOM 1279 CG LEU A 78 5.477 11.037 2.606 1.00 21.33 C ATOM 1280 CD1 LEU A 78 6.206 10.213 1.527 1.00 24.03 C ATOM 1281 CD2 LEU A 78 5.051 12.416 2.063 1.00 51.43 C ATOM 0 H LEU A 78 4.890 10.760 5.757 1.00 34.31 H new ATOM 0 HA LEU A 78 2.968 11.892 3.789 1.00 23.51 H new ATOM 0 HB2 LEU A 78 4.630 9.337 3.666 1.00 12.01 H new ATOM 0 HB3 LEU A 78 3.596 9.965 2.398 1.00 12.01 H new ATOM 0 HG LEU A 78 6.184 11.206 3.418 1.00 21.33 H new ATOM 0 HD11 LEU A 78 7.043 10.790 1.132 1.00 24.03 H new ATOM 0 HD12 LEU A 78 6.578 9.287 1.966 1.00 24.03 H new ATOM 0 HD13 LEU A 78 5.514 9.979 0.719 1.00 24.03 H new ATOM 0 HD21 LEU A 78 5.920 12.929 1.651 1.00 51.43 H new ATOM 0 HD22 LEU A 78 4.303 12.284 1.281 1.00 51.43 H new ATOM 0 HD23 LEU A 78 4.629 13.011 2.873 1.00 51.43 H new ATOM 1293 N ARG A 79 1.103 10.290 4.283 1.00 1.23 N ATOM 1294 CA ARG A 79 -0.084 9.537 4.704 1.00 75.31 C ATOM 1295 C ARG A 79 -0.024 8.110 4.127 1.00 23.32 C ATOM 1296 O ARG A 79 -0.004 7.935 2.904 1.00 52.11 O ATOM 1297 CB ARG A 79 -1.359 10.297 4.243 1.00 41.42 C ATOM 1298 CG ARG A 79 -2.710 9.625 4.587 1.00 42.00 C ATOM 1299 CD ARG A 79 -2.856 9.269 6.073 1.00 74.30 C ATOM 1300 NE ARG A 79 -2.762 10.447 6.955 1.00 12.14 N ATOM 1301 CZ ARG A 79 -2.588 10.403 8.289 1.00 12.12 C ATOM 1302 NH1 ARG A 79 -2.469 9.244 8.928 1.00 53.45 N ATOM 1303 NH2 ARG A 79 -2.560 11.530 8.982 1.00 53.51 N ATOM 0 H ARG A 79 0.922 10.936 3.514 1.00 1.23 H new ATOM 0 HA ARG A 79 -0.115 9.451 5.790 1.00 75.31 H new ATOM 0 HB2 ARG A 79 -1.346 11.292 4.689 1.00 41.42 H new ATOM 0 HB3 ARG A 79 -1.307 10.431 3.163 1.00 41.42 H new ATOM 0 HG2 ARG A 79 -3.522 10.293 4.300 1.00 42.00 H new ATOM 0 HG3 ARG A 79 -2.818 8.718 3.992 1.00 42.00 H new ATOM 0 HD2 ARG A 79 -3.816 8.778 6.232 1.00 74.30 H new ATOM 0 HD3 ARG A 79 -2.082 8.552 6.348 1.00 74.30 H new ATOM 0 HE ARG A 79 -2.834 11.367 6.520 1.00 12.14 H new ATOM 0 HH11 ARG A 79 -2.509 8.368 8.407 1.00 53.45 H new ATOM 0 HH12 ARG A 79 -2.338 9.230 9.939 1.00 53.45 H new ATOM 0 HH21 ARG A 79 -2.670 12.425 8.505 1.00 53.51 H new ATOM 0 HH22 ARG A 79 -2.429 11.504 9.993 1.00 53.51 H new ATOM 1317 N VAL A 80 0.021 7.099 5.020 1.00 13.54 N ATOM 1318 CA VAL A 80 0.189 5.688 4.632 1.00 73.52 C ATOM 1319 C VAL A 80 -1.152 4.938 4.731 1.00 53.03 C ATOM 1320 O VAL A 80 -1.705 4.774 5.822 1.00 54.23 O ATOM 1321 CB VAL A 80 1.278 4.958 5.509 1.00 42.21 C ATOM 1322 CG1 VAL A 80 1.588 3.547 4.946 1.00 74.34 C ATOM 1323 CG2 VAL A 80 2.564 5.808 5.619 1.00 44.30 C ATOM 0 H VAL A 80 -0.058 7.240 6.027 1.00 13.54 H new ATOM 0 HA VAL A 80 0.534 5.679 3.598 1.00 73.52 H new ATOM 0 HB VAL A 80 0.873 4.836 6.514 1.00 42.21 H new ATOM 0 HG11 VAL A 80 2.342 3.064 5.568 1.00 74.34 H new ATOM 0 HG12 VAL A 80 0.678 2.947 4.947 1.00 74.34 H new ATOM 0 HG13 VAL A 80 1.962 3.636 3.926 1.00 74.34 H new ATOM 0 HG21 VAL A 80 3.298 5.281 6.229 1.00 44.30 H new ATOM 0 HG22 VAL A 80 2.974 5.977 4.624 1.00 44.30 H new ATOM 0 HG23 VAL A 80 2.328 6.766 6.082 1.00 44.30 H new ATOM 1333 N LEU A 81 -1.662 4.493 3.574 1.00 4.33 N ATOM 1334 CA LEU A 81 -2.921 3.734 3.470 1.00 54.15 C ATOM 1335 C LEU A 81 -2.561 2.287 3.099 1.00 70.14 C ATOM 1336 O LEU A 81 -2.143 2.029 1.972 1.00 51.11 O ATOM 1337 CB LEU A 81 -3.856 4.336 2.369 1.00 4.42 C ATOM 1338 CG LEU A 81 -4.380 5.806 2.530 1.00 4.15 C ATOM 1339 CD1 LEU A 81 -5.115 6.020 3.862 1.00 23.04 C ATOM 1340 CD2 LEU A 81 -3.261 6.834 2.340 1.00 44.34 C ATOM 0 H LEU A 81 -1.209 4.650 2.674 1.00 4.33 H new ATOM 0 HA LEU A 81 -3.454 3.780 4.420 1.00 54.15 H new ATOM 0 HB2 LEU A 81 -3.323 4.280 1.420 1.00 4.42 H new ATOM 0 HB3 LEU A 81 -4.726 3.685 2.286 1.00 4.42 H new ATOM 0 HG LEU A 81 -5.108 5.963 1.734 1.00 4.15 H new ATOM 0 HD11 LEU A 81 -5.458 7.052 3.926 1.00 23.04 H new ATOM 0 HD12 LEU A 81 -5.972 5.348 3.917 1.00 23.04 H new ATOM 0 HD13 LEU A 81 -4.437 5.811 4.689 1.00 23.04 H new ATOM 0 HD21 LEU A 81 -3.666 7.839 2.460 1.00 44.34 H new ATOM 0 HD22 LEU A 81 -2.482 6.666 3.084 1.00 44.34 H new ATOM 0 HD23 LEU A 81 -2.837 6.730 1.341 1.00 44.34 H new ATOM 1352 N VAL A 82 -2.719 1.348 4.033 1.00 32.54 N ATOM 1353 CA VAL A 82 -2.275 -0.043 3.843 1.00 71.30 C ATOM 1354 C VAL A 82 -3.475 -0.959 3.531 1.00 33.43 C ATOM 1355 O VAL A 82 -4.468 -0.980 4.273 1.00 43.41 O ATOM 1356 CB VAL A 82 -1.495 -0.590 5.102 1.00 41.13 C ATOM 1357 CG1 VAL A 82 -0.963 -2.034 4.875 1.00 12.02 C ATOM 1358 CG2 VAL A 82 -0.349 0.368 5.508 1.00 62.41 C ATOM 0 H VAL A 82 -3.155 1.523 4.938 1.00 32.54 H new ATOM 0 HA VAL A 82 -1.589 -0.048 2.996 1.00 71.30 H new ATOM 0 HB VAL A 82 -2.207 -0.635 5.926 1.00 41.13 H new ATOM 0 HG11 VAL A 82 -0.433 -2.371 5.766 1.00 12.02 H new ATOM 0 HG12 VAL A 82 -1.800 -2.703 4.676 1.00 12.02 H new ATOM 0 HG13 VAL A 82 -0.283 -2.041 4.024 1.00 12.02 H new ATOM 0 HG21 VAL A 82 0.171 -0.034 6.378 1.00 62.41 H new ATOM 0 HG22 VAL A 82 0.353 0.467 4.680 1.00 62.41 H new ATOM 0 HG23 VAL A 82 -0.762 1.346 5.753 1.00 62.41 H new ATOM 1368 N ILE A 83 -3.384 -1.672 2.398 1.00 12.11 N ATOM 1369 CA ILE A 83 -4.234 -2.826 2.086 1.00 33.20 C ATOM 1370 C ILE A 83 -3.423 -4.091 2.361 1.00 73.22 C ATOM 1371 O ILE A 83 -2.229 -4.144 2.059 1.00 33.44 O ATOM 1372 CB ILE A 83 -4.713 -2.838 0.585 1.00 33.52 C ATOM 1373 CG1 ILE A 83 -5.495 -1.549 0.266 1.00 43.13 C ATOM 1374 CG2 ILE A 83 -5.574 -4.086 0.267 1.00 33.11 C ATOM 1375 CD1 ILE A 83 -6.067 -1.464 -1.131 1.00 32.21 C ATOM 0 H ILE A 83 -2.708 -1.459 1.664 1.00 12.11 H new ATOM 0 HA ILE A 83 -5.128 -2.772 2.707 1.00 33.20 H new ATOM 0 HB ILE A 83 -3.826 -2.883 -0.047 1.00 33.52 H new ATOM 0 HG12 ILE A 83 -6.312 -1.454 0.981 1.00 43.13 H new ATOM 0 HG13 ILE A 83 -4.835 -0.696 0.422 1.00 43.13 H new ATOM 0 HG21 ILE A 83 -5.885 -4.057 -0.777 1.00 33.11 H new ATOM 0 HG22 ILE A 83 -4.988 -4.988 0.447 1.00 33.11 H new ATOM 0 HG23 ILE A 83 -6.456 -4.093 0.908 1.00 33.11 H new ATOM 0 HD11 ILE A 83 -6.597 -0.519 -1.250 1.00 32.21 H new ATOM 0 HD12 ILE A 83 -5.258 -1.521 -1.859 1.00 32.21 H new ATOM 0 HD13 ILE A 83 -6.759 -2.291 -1.292 1.00 32.21 H new ATOM 1387 N MET A 84 -4.066 -5.080 2.963 1.00 23.52 N ATOM 1388 CA MET A 84 -3.511 -6.415 3.164 1.00 64.02 C ATOM 1389 C MET A 84 -4.568 -7.424 2.709 1.00 33.02 C ATOM 1390 O MET A 84 -5.661 -7.489 3.284 1.00 71.33 O ATOM 1391 CB MET A 84 -3.126 -6.598 4.657 1.00 71.22 C ATOM 1392 CG MET A 84 -1.840 -5.870 5.084 1.00 23.22 C ATOM 1393 SD MET A 84 -1.671 -5.751 6.877 1.00 61.31 S ATOM 1394 CE MET A 84 -2.920 -4.525 7.280 1.00 40.50 C ATOM 0 H MET A 84 -5.010 -4.977 3.335 1.00 23.52 H new ATOM 0 HA MET A 84 -2.602 -6.567 2.582 1.00 64.02 H new ATOM 0 HB2 MET A 84 -3.950 -6.244 5.276 1.00 71.22 H new ATOM 0 HB3 MET A 84 -3.009 -7.663 4.860 1.00 71.22 H new ATOM 0 HG2 MET A 84 -0.977 -6.396 4.676 1.00 23.22 H new ATOM 0 HG3 MET A 84 -1.835 -4.868 4.655 1.00 23.22 H new ATOM 0 HE1 MET A 84 -2.441 -3.562 7.456 1.00 40.50 H new ATOM 0 HE2 MET A 84 -3.622 -4.435 6.451 1.00 40.50 H new ATOM 0 HE3 MET A 84 -3.456 -4.833 8.178 1.00 40.50 H new ATOM 1404 N VAL A 85 -4.249 -8.175 1.646 1.00 70.35 N ATOM 1405 CA VAL A 85 -5.120 -9.212 1.074 1.00 70.05 C ATOM 1406 C VAL A 85 -4.289 -10.480 0.895 1.00 73.14 C ATOM 1407 O VAL A 85 -3.350 -10.477 0.096 1.00 74.15 O ATOM 1408 CB VAL A 85 -5.741 -8.786 -0.315 1.00 3.44 C ATOM 1409 CG1 VAL A 85 -6.675 -9.888 -0.872 1.00 2.24 C ATOM 1410 CG2 VAL A 85 -6.481 -7.436 -0.205 1.00 74.40 C ATOM 0 H VAL A 85 -3.363 -8.077 1.150 1.00 70.35 H new ATOM 0 HA VAL A 85 -5.955 -9.374 1.756 1.00 70.05 H new ATOM 0 HB VAL A 85 -4.919 -8.659 -1.019 1.00 3.44 H new ATOM 0 HG11 VAL A 85 -7.087 -9.566 -1.828 1.00 2.24 H new ATOM 0 HG12 VAL A 85 -6.108 -10.808 -1.012 1.00 2.24 H new ATOM 0 HG13 VAL A 85 -7.488 -10.066 -0.168 1.00 2.24 H new ATOM 0 HG21 VAL A 85 -6.897 -7.169 -1.176 1.00 74.40 H new ATOM 0 HG22 VAL A 85 -7.287 -7.521 0.524 1.00 74.40 H new ATOM 0 HG23 VAL A 85 -5.782 -6.663 0.115 1.00 74.40 H new ATOM 1420 N ASP A 86 -4.637 -11.545 1.636 1.00 73.24 N ATOM 1421 CA ASP A 86 -3.885 -12.811 1.644 1.00 23.21 C ATOM 1422 C ASP A 86 -4.704 -13.931 2.252 1.00 4.14 C ATOM 1423 O ASP A 86 -5.461 -13.720 3.205 1.00 10.41 O ATOM 1424 CB ASP A 86 -2.530 -12.701 2.433 1.00 73.22 C ATOM 1425 CG ASP A 86 -1.343 -12.407 1.534 1.00 3.02 C ATOM 1426 OD1 ASP A 86 -0.686 -11.346 1.665 1.00 43.32 O ATOM 1427 OD2 ASP A 86 -1.092 -13.242 0.660 1.00 0.21 O ATOM 0 H ASP A 86 -5.452 -11.552 2.249 1.00 73.24 H new ATOM 0 HA ASP A 86 -3.665 -13.032 0.600 1.00 23.21 H new ATOM 0 HB2 ASP A 86 -2.615 -11.914 3.182 1.00 73.22 H new ATOM 0 HB3 ASP A 86 -2.351 -13.633 2.969 1.00 73.22 H new ATOM 1432 N GLN A 87 -4.490 -15.137 1.706 1.00 53.31 N ATOM 1433 CA GLN A 87 -4.968 -16.403 2.282 1.00 12.04 C ATOM 1434 C GLN A 87 -4.318 -16.665 3.664 1.00 40.55 C ATOM 1435 O GLN A 87 -4.782 -17.517 4.426 1.00 12.41 O ATOM 1436 CB GLN A 87 -4.728 -17.587 1.286 1.00 24.41 C ATOM 1437 CG GLN A 87 -3.252 -17.979 0.994 1.00 21.44 C ATOM 1438 CD GLN A 87 -2.433 -16.907 0.257 1.00 0.50 C ATOM 1439 OE1 GLN A 87 -2.417 -16.845 -0.971 1.00 13.42 O ATOM 1440 NE2 GLN A 87 -1.725 -16.078 0.998 1.00 0.32 N ATOM 0 H GLN A 87 -3.971 -15.262 0.837 1.00 53.31 H new ATOM 0 HA GLN A 87 -6.043 -16.326 2.445 1.00 12.04 H new ATOM 0 HB2 GLN A 87 -5.241 -18.466 1.676 1.00 24.41 H new ATOM 0 HB3 GLN A 87 -5.205 -17.334 0.339 1.00 24.41 H new ATOM 0 HG2 GLN A 87 -2.758 -18.208 1.938 1.00 21.44 H new ATOM 0 HG3 GLN A 87 -3.244 -18.893 0.401 1.00 21.44 H new ATOM 0 HE21 GLN A 87 -1.755 -16.150 2.015 1.00 0.32 H new ATOM 0 HE22 GLN A 87 -1.147 -15.364 0.554 1.00 0.32 H new ATOM 1449 N ASP A 88 -3.238 -15.914 3.973 1.00 41.23 N ATOM 1450 CA ASP A 88 -2.631 -15.853 5.313 1.00 55.44 C ATOM 1451 C ASP A 88 -3.306 -14.742 6.140 1.00 30.30 C ATOM 1452 O ASP A 88 -2.682 -13.731 6.463 1.00 10.14 O ATOM 1453 CB ASP A 88 -1.098 -15.608 5.204 1.00 43.31 C ATOM 1454 CG ASP A 88 -0.340 -16.790 4.594 1.00 71.33 C ATOM 1455 OD1 ASP A 88 -0.161 -16.820 3.362 1.00 71.11 O ATOM 1456 OD2 ASP A 88 0.061 -17.704 5.348 1.00 51.54 O ATOM 0 H ASP A 88 -2.761 -15.328 3.288 1.00 41.23 H new ATOM 0 HA ASP A 88 -2.784 -16.807 5.818 1.00 55.44 H new ATOM 0 HB2 ASP A 88 -0.921 -14.719 4.598 1.00 43.31 H new ATOM 0 HB3 ASP A 88 -0.698 -15.402 6.197 1.00 43.31 H new ATOM 1461 N GLN A 89 -4.602 -14.942 6.462 1.00 21.21 N ATOM 1462 CA GLN A 89 -5.401 -13.987 7.269 1.00 72.52 C ATOM 1463 C GLN A 89 -4.840 -13.856 8.693 1.00 10.04 C ATOM 1464 O GLN A 89 -4.918 -12.782 9.296 1.00 31.42 O ATOM 1465 CB GLN A 89 -6.897 -14.417 7.299 1.00 52.03 C ATOM 1466 CG GLN A 89 -7.649 -14.181 5.972 1.00 5.00 C ATOM 1467 CD GLN A 89 -7.862 -12.693 5.662 1.00 3.24 C ATOM 1468 OE1 GLN A 89 -8.887 -12.104 6.009 1.00 74.23 O ATOM 1469 NE2 GLN A 89 -6.891 -12.069 5.030 1.00 42.14 N ATOM 0 H GLN A 89 -5.126 -15.768 6.172 1.00 21.21 H new ATOM 0 HA GLN A 89 -5.334 -13.007 6.796 1.00 72.52 H new ATOM 0 HB2 GLN A 89 -6.954 -15.475 7.553 1.00 52.03 H new ATOM 0 HB3 GLN A 89 -7.405 -13.871 8.094 1.00 52.03 H new ATOM 0 HG2 GLN A 89 -7.090 -14.640 5.157 1.00 5.00 H new ATOM 0 HG3 GLN A 89 -8.617 -14.680 6.015 1.00 5.00 H new ATOM 0 HE21 GLN A 89 -6.052 -12.579 4.753 1.00 42.14 H new ATOM 0 HE22 GLN A 89 -6.977 -11.075 4.817 1.00 42.14 H new ATOM 1478 N GLU A 90 -4.263 -14.961 9.196 1.00 53.43 N ATOM 1479 CA GLU A 90 -3.604 -15.007 10.515 1.00 1.35 C ATOM 1480 C GLU A 90 -2.351 -14.114 10.532 1.00 62.03 C ATOM 1481 O GLU A 90 -2.128 -13.371 11.495 1.00 31.33 O ATOM 1482 CB GLU A 90 -3.228 -16.462 10.879 1.00 22.44 C ATOM 1483 CG GLU A 90 -4.430 -17.420 10.969 1.00 12.12 C ATOM 1484 CD GLU A 90 -3.999 -18.882 11.132 1.00 32.42 C ATOM 1485 OE1 GLU A 90 -3.641 -19.510 10.112 1.00 25.22 O ATOM 1486 OE2 GLU A 90 -4.005 -19.406 12.268 1.00 31.11 O ATOM 0 H GLU A 90 -4.240 -15.851 8.698 1.00 53.43 H new ATOM 0 HA GLU A 90 -4.305 -14.629 11.259 1.00 1.35 H new ATOM 0 HB2 GLU A 90 -2.529 -16.842 10.134 1.00 22.44 H new ATOM 0 HB3 GLU A 90 -2.705 -16.462 11.835 1.00 22.44 H new ATOM 0 HG2 GLU A 90 -5.058 -17.133 11.812 1.00 12.12 H new ATOM 0 HG3 GLU A 90 -5.038 -17.321 10.070 1.00 12.12 H new ATOM 1493 N GLU A 91 -1.552 -14.187 9.449 1.00 41.42 N ATOM 1494 CA GLU A 91 -0.315 -13.394 9.309 1.00 5.01 C ATOM 1495 C GLU A 91 -0.652 -11.897 9.198 1.00 33.31 C ATOM 1496 O GLU A 91 -0.011 -11.053 9.840 1.00 45.42 O ATOM 1497 CB GLU A 91 0.490 -13.864 8.076 1.00 64.12 C ATOM 1498 CG GLU A 91 1.893 -13.242 7.967 1.00 34.35 C ATOM 1499 CD GLU A 91 2.632 -13.639 6.686 1.00 71.13 C ATOM 1500 OE1 GLU A 91 2.900 -14.848 6.499 1.00 61.34 O ATOM 1501 OE2 GLU A 91 2.979 -12.747 5.882 1.00 13.43 O ATOM 0 H GLU A 91 -1.744 -14.793 8.652 1.00 41.42 H new ATOM 0 HA GLU A 91 0.299 -13.545 10.197 1.00 5.01 H new ATOM 0 HB2 GLU A 91 0.587 -14.949 8.111 1.00 64.12 H new ATOM 0 HB3 GLU A 91 -0.073 -13.623 7.174 1.00 64.12 H new ATOM 0 HG2 GLU A 91 1.806 -12.156 8.007 1.00 34.35 H new ATOM 0 HG3 GLU A 91 2.486 -13.546 8.830 1.00 34.35 H new ATOM 1508 N LEU A 92 -1.697 -11.600 8.396 1.00 40.22 N ATOM 1509 CA LEU A 92 -2.211 -10.233 8.213 1.00 14.22 C ATOM 1510 C LEU A 92 -2.822 -9.683 9.504 1.00 4.24 C ATOM 1511 O LEU A 92 -2.865 -8.486 9.677 1.00 12.44 O ATOM 1512 CB LEU A 92 -3.289 -10.166 7.106 1.00 62.14 C ATOM 1513 CG LEU A 92 -2.886 -10.630 5.677 1.00 23.41 C ATOM 1514 CD1 LEU A 92 -4.042 -10.354 4.696 1.00 21.04 C ATOM 1515 CD2 LEU A 92 -1.547 -9.998 5.206 1.00 34.33 C ATOM 0 H LEU A 92 -2.205 -12.303 7.859 1.00 40.22 H new ATOM 0 HA LEU A 92 -1.352 -9.628 7.923 1.00 14.22 H new ATOM 0 HB2 LEU A 92 -4.138 -10.769 7.428 1.00 62.14 H new ATOM 0 HB3 LEU A 92 -3.637 -9.135 7.039 1.00 62.14 H new ATOM 0 HG LEU A 92 -2.707 -11.705 5.703 1.00 23.41 H new ATOM 0 HD11 LEU A 92 -3.756 -10.680 3.696 1.00 21.04 H new ATOM 0 HD12 LEU A 92 -4.929 -10.900 5.016 1.00 21.04 H new ATOM 0 HD13 LEU A 92 -4.259 -9.286 4.681 1.00 21.04 H new ATOM 0 HD21 LEU A 92 -1.310 -10.353 4.203 1.00 34.33 H new ATOM 0 HD22 LEU A 92 -1.642 -8.912 5.193 1.00 34.33 H new ATOM 0 HD23 LEU A 92 -0.749 -10.285 5.891 1.00 34.33 H new ATOM 1527 N GLU A 93 -3.331 -10.581 10.374 1.00 35.22 N ATOM 1528 CA GLU A 93 -3.947 -10.207 11.667 1.00 52.15 C ATOM 1529 C GLU A 93 -2.876 -9.610 12.613 1.00 73.32 C ATOM 1530 O GLU A 93 -3.164 -8.667 13.365 1.00 31.03 O ATOM 1531 CB GLU A 93 -4.664 -11.461 12.262 1.00 2.44 C ATOM 1532 CG GLU A 93 -5.597 -11.234 13.486 1.00 41.43 C ATOM 1533 CD GLU A 93 -4.867 -11.191 14.842 1.00 12.21 C ATOM 1534 OE1 GLU A 93 -4.204 -12.185 15.200 1.00 74.10 O ATOM 1535 OE2 GLU A 93 -4.966 -10.176 15.561 1.00 4.35 O ATOM 0 H GLU A 93 -3.327 -11.586 10.201 1.00 35.22 H new ATOM 0 HA GLU A 93 -4.699 -9.430 11.530 1.00 52.15 H new ATOM 0 HB2 GLU A 93 -5.254 -11.921 11.469 1.00 2.44 H new ATOM 0 HB3 GLU A 93 -3.899 -12.182 12.550 1.00 2.44 H new ATOM 0 HG2 GLU A 93 -6.137 -10.297 13.348 1.00 41.43 H new ATOM 0 HG3 GLU A 93 -6.341 -12.030 13.513 1.00 41.43 H new ATOM 1542 N ARG A 94 -1.634 -10.149 12.537 1.00 2.41 N ATOM 1543 CA ARG A 94 -0.478 -9.612 13.294 1.00 60.52 C ATOM 1544 C ARG A 94 -0.086 -8.214 12.767 1.00 61.42 C ATOM 1545 O ARG A 94 0.067 -7.264 13.550 1.00 51.41 O ATOM 1546 CB ARG A 94 0.749 -10.576 13.234 1.00 62.31 C ATOM 1547 CG ARG A 94 2.056 -9.999 13.858 1.00 75.11 C ATOM 1548 CD ARG A 94 1.908 -9.603 15.350 1.00 24.43 C ATOM 1549 NE ARG A 94 2.974 -8.683 15.781 1.00 34.25 N ATOM 1550 CZ ARG A 94 2.924 -7.864 16.844 1.00 72.04 C ATOM 1551 NH1 ARG A 94 1.859 -7.839 17.644 1.00 13.54 N ATOM 1552 NH2 ARG A 94 3.943 -7.052 17.085 1.00 23.31 N ATOM 0 H ARG A 94 -1.408 -10.957 11.957 1.00 2.41 H new ATOM 0 HA ARG A 94 -0.782 -9.525 14.337 1.00 60.52 H new ATOM 0 HB2 ARG A 94 0.493 -11.502 13.750 1.00 62.31 H new ATOM 0 HB3 ARG A 94 0.942 -10.834 12.193 1.00 62.31 H new ATOM 0 HG2 ARG A 94 2.851 -10.739 13.764 1.00 75.11 H new ATOM 0 HG3 ARG A 94 2.366 -9.124 13.287 1.00 75.11 H new ATOM 0 HD2 ARG A 94 0.937 -9.133 15.506 1.00 24.43 H new ATOM 0 HD3 ARG A 94 1.931 -10.501 15.968 1.00 24.43 H new ATOM 0 HE ARG A 94 3.827 -8.666 15.222 1.00 34.25 H new ATOM 0 HH11 ARG A 94 1.064 -8.449 17.454 1.00 13.54 H new ATOM 0 HH12 ARG A 94 1.839 -7.210 18.447 1.00 13.54 H new ATOM 0 HH21 ARG A 94 4.754 -7.054 16.466 1.00 23.31 H new ATOM 0 HH22 ARG A 94 3.917 -6.425 17.889 1.00 23.31 H new ATOM 1566 N ILE A 95 0.072 -8.121 11.436 1.00 32.03 N ATOM 1567 CA ILE A 95 0.508 -6.890 10.754 1.00 64.02 C ATOM 1568 C ILE A 95 -0.531 -5.762 10.960 1.00 40.32 C ATOM 1569 O ILE A 95 -0.176 -4.628 11.299 1.00 51.45 O ATOM 1570 CB ILE A 95 0.750 -7.162 9.222 1.00 42.43 C ATOM 1571 CG1 ILE A 95 1.770 -8.333 9.029 1.00 22.53 C ATOM 1572 CG2 ILE A 95 1.231 -5.885 8.501 1.00 4.23 C ATOM 1573 CD1 ILE A 95 2.056 -8.719 7.586 1.00 2.50 C ATOM 0 H ILE A 95 -0.100 -8.900 10.800 1.00 32.03 H new ATOM 0 HA ILE A 95 1.452 -6.566 11.191 1.00 64.02 H new ATOM 0 HB ILE A 95 -0.199 -7.457 8.774 1.00 42.43 H new ATOM 0 HG12 ILE A 95 2.710 -8.056 9.506 1.00 22.53 H new ATOM 0 HG13 ILE A 95 1.393 -9.211 9.554 1.00 22.53 H new ATOM 0 HG21 ILE A 95 1.390 -6.102 7.445 1.00 4.23 H new ATOM 0 HG22 ILE A 95 0.477 -5.104 8.602 1.00 4.23 H new ATOM 0 HG23 ILE A 95 2.166 -5.546 8.947 1.00 4.23 H new ATOM 0 HD11 ILE A 95 2.774 -9.539 7.564 1.00 2.50 H new ATOM 0 HD12 ILE A 95 1.131 -9.034 7.103 1.00 2.50 H new ATOM 0 HD13 ILE A 95 2.468 -7.861 7.055 1.00 2.50 H new ATOM 1585 N TYR A 96 -1.816 -6.131 10.814 1.00 42.21 N ATOM 1586 CA TYR A 96 -2.970 -5.239 11.032 1.00 23.53 C ATOM 1587 C TYR A 96 -2.908 -4.624 12.429 1.00 21.31 C ATOM 1588 O TYR A 96 -3.059 -3.416 12.571 1.00 21.32 O ATOM 1589 CB TYR A 96 -4.298 -6.039 10.851 1.00 53.22 C ATOM 1590 CG TYR A 96 -5.598 -5.307 11.253 1.00 21.14 C ATOM 1591 CD1 TYR A 96 -6.317 -4.530 10.342 1.00 63.31 C ATOM 1592 CD2 TYR A 96 -6.108 -5.410 12.553 1.00 22.10 C ATOM 1593 CE1 TYR A 96 -7.479 -3.876 10.719 1.00 64.34 C ATOM 1594 CE2 TYR A 96 -7.265 -4.759 12.930 1.00 24.12 C ATOM 1595 CZ TYR A 96 -7.949 -3.998 12.013 1.00 53.01 C ATOM 1596 OH TYR A 96 -9.097 -3.336 12.400 1.00 12.53 O ATOM 0 H TYR A 96 -2.087 -7.074 10.536 1.00 42.21 H new ATOM 0 HA TYR A 96 -2.939 -4.433 10.299 1.00 23.53 H new ATOM 0 HB2 TYR A 96 -4.380 -6.333 9.805 1.00 53.22 H new ATOM 0 HB3 TYR A 96 -4.227 -6.956 11.435 1.00 53.22 H new ATOM 0 HD1 TYR A 96 -5.961 -4.437 9.326 1.00 63.31 H new ATOM 0 HD2 TYR A 96 -5.583 -6.014 13.278 1.00 22.10 H new ATOM 0 HE1 TYR A 96 -8.016 -3.272 10.003 1.00 64.34 H new ATOM 0 HE2 TYR A 96 -7.631 -4.847 13.942 1.00 24.12 H new ATOM 0 HH TYR A 96 -9.286 -3.532 13.341 1.00 12.53 H new ATOM 1606 N GLU A 97 -2.683 -5.497 13.436 1.00 43.54 N ATOM 1607 CA GLU A 97 -2.604 -5.111 14.854 1.00 74.11 C ATOM 1608 C GLU A 97 -1.541 -4.026 15.078 1.00 70.23 C ATOM 1609 O GLU A 97 -1.860 -2.957 15.591 1.00 72.43 O ATOM 1610 CB GLU A 97 -2.296 -6.359 15.731 1.00 74.13 C ATOM 1611 CG GLU A 97 -1.969 -6.077 17.225 1.00 65.21 C ATOM 1612 CD GLU A 97 -3.106 -5.383 18.007 1.00 4.14 C ATOM 1613 OE1 GLU A 97 -4.044 -6.076 18.447 1.00 4.31 O ATOM 1614 OE2 GLU A 97 -3.058 -4.142 18.194 1.00 73.25 O ATOM 0 H GLU A 97 -2.551 -6.496 13.281 1.00 43.54 H new ATOM 0 HA GLU A 97 -3.569 -4.698 15.147 1.00 74.11 H new ATOM 0 HB2 GLU A 97 -3.154 -7.030 15.688 1.00 74.13 H new ATOM 0 HB3 GLU A 97 -1.453 -6.890 15.289 1.00 74.13 H new ATOM 0 HG2 GLU A 97 -1.730 -7.020 17.716 1.00 65.21 H new ATOM 0 HG3 GLU A 97 -1.076 -5.455 17.278 1.00 65.21 H new ATOM 1621 N GLN A 98 -0.289 -4.300 14.652 1.00 52.10 N ATOM 1622 CA GLN A 98 0.854 -3.421 14.971 1.00 63.42 C ATOM 1623 C GLN A 98 0.790 -2.067 14.208 1.00 22.35 C ATOM 1624 O GLN A 98 1.304 -1.050 14.697 1.00 32.10 O ATOM 1625 CB GLN A 98 2.209 -4.189 14.787 1.00 53.41 C ATOM 1626 CG GLN A 98 2.513 -4.817 13.401 1.00 32.12 C ATOM 1627 CD GLN A 98 2.965 -3.848 12.296 1.00 50.33 C ATOM 1628 OE1 GLN A 98 2.771 -4.111 11.111 1.00 71.11 O ATOM 1629 NE2 GLN A 98 3.568 -2.729 12.667 1.00 54.11 N ATOM 0 H GLN A 98 -0.046 -5.116 14.091 1.00 52.10 H new ATOM 0 HA GLN A 98 0.792 -3.147 16.024 1.00 63.42 H new ATOM 0 HB2 GLN A 98 3.018 -3.498 15.024 1.00 53.41 H new ATOM 0 HB3 GLN A 98 2.243 -4.987 15.529 1.00 53.41 H new ATOM 0 HG2 GLN A 98 3.288 -5.573 13.531 1.00 32.12 H new ATOM 0 HG3 GLN A 98 1.618 -5.334 13.056 1.00 32.12 H new ATOM 0 HE21 GLN A 98 3.717 -2.534 13.657 1.00 54.11 H new ATOM 0 HE22 GLN A 98 3.883 -2.062 11.963 1.00 54.11 H new ATOM 1638 N LEU A 99 0.131 -2.058 13.033 1.00 22.23 N ATOM 1639 CA LEU A 99 -0.123 -0.822 12.257 1.00 51.50 C ATOM 1640 C LEU A 99 -1.236 0.020 12.924 1.00 2.15 C ATOM 1641 O LEU A 99 -1.059 1.219 13.174 1.00 31.30 O ATOM 1642 CB LEU A 99 -0.526 -1.177 10.801 1.00 12.04 C ATOM 1643 CG LEU A 99 0.554 -1.892 9.928 1.00 1.04 C ATOM 1644 CD1 LEU A 99 -0.026 -2.340 8.570 1.00 44.12 C ATOM 1645 CD2 LEU A 99 1.795 -1.003 9.734 1.00 50.25 C ATOM 0 H LEU A 99 -0.240 -2.901 12.594 1.00 22.23 H new ATOM 0 HA LEU A 99 0.794 -0.233 12.238 1.00 51.50 H new ATOM 0 HB2 LEU A 99 -1.410 -1.814 10.838 1.00 12.04 H new ATOM 0 HB3 LEU A 99 -0.818 -0.257 10.295 1.00 12.04 H new ATOM 0 HG LEU A 99 0.867 -2.787 10.465 1.00 1.04 H new ATOM 0 HD11 LEU A 99 0.752 -2.834 7.987 1.00 44.12 H new ATOM 0 HD12 LEU A 99 -0.850 -3.034 8.737 1.00 44.12 H new ATOM 0 HD13 LEU A 99 -0.390 -1.469 8.025 1.00 44.12 H new ATOM 0 HD21 LEU A 99 2.528 -1.529 9.122 1.00 50.25 H new ATOM 0 HD22 LEU A 99 1.505 -0.077 9.237 1.00 50.25 H new ATOM 0 HD23 LEU A 99 2.232 -0.772 10.705 1.00 50.25 H new ATOM 1657 N LYS A 100 -2.364 -0.651 13.226 1.00 70.33 N ATOM 1658 CA LYS A 100 -3.580 -0.048 13.835 1.00 61.42 C ATOM 1659 C LYS A 100 -3.238 0.566 15.212 1.00 0.31 C ATOM 1660 O LYS A 100 -3.742 1.627 15.579 1.00 3.24 O ATOM 1661 CB LYS A 100 -4.701 -1.150 13.989 1.00 71.42 C ATOM 1662 CG LYS A 100 -6.070 -0.840 13.350 1.00 10.15 C ATOM 1663 CD LYS A 100 -6.795 0.367 13.983 1.00 32.52 C ATOM 1664 CE LYS A 100 -8.253 0.487 13.494 1.00 2.03 C ATOM 1665 NZ LYS A 100 -9.054 -0.723 13.834 1.00 43.53 N ATOM 0 H LYS A 100 -2.464 -1.651 13.052 1.00 70.33 H new ATOM 0 HA LYS A 100 -3.949 0.745 13.185 1.00 61.42 H new ATOM 0 HB2 LYS A 100 -4.327 -2.079 13.558 1.00 71.42 H new ATOM 0 HB3 LYS A 100 -4.855 -1.332 15.053 1.00 71.42 H new ATOM 0 HG2 LYS A 100 -5.929 -0.650 12.286 1.00 10.15 H new ATOM 0 HG3 LYS A 100 -6.708 -1.720 13.435 1.00 10.15 H new ATOM 0 HD2 LYS A 100 -6.784 0.268 15.068 1.00 32.52 H new ATOM 0 HD3 LYS A 100 -6.255 1.282 13.741 1.00 32.52 H new ATOM 0 HE2 LYS A 100 -8.715 1.366 13.943 1.00 2.03 H new ATOM 0 HE3 LYS A 100 -8.263 0.637 12.414 1.00 2.03 H new ATOM 0 HZ1 LYS A 100 -10.067 -0.488 13.807 1.00 43.53 H new ATOM 0 HZ2 LYS A 100 -8.855 -1.476 13.145 1.00 43.53 H new ATOM 0 HZ3 LYS A 100 -8.800 -1.050 14.788 1.00 43.53 H new ATOM 1679 N LYS A 101 -2.368 -0.154 15.941 1.00 21.25 N ATOM 1680 CA LYS A 101 -1.868 0.214 17.282 1.00 71.41 C ATOM 1681 C LYS A 101 -1.185 1.599 17.272 1.00 11.50 C ATOM 1682 O LYS A 101 -1.327 2.388 18.213 1.00 21.52 O ATOM 1683 CB LYS A 101 -0.877 -0.888 17.743 1.00 44.04 C ATOM 1684 CG LYS A 101 -0.406 -0.801 19.211 1.00 3.43 C ATOM 1685 CD LYS A 101 0.649 -1.886 19.556 1.00 10.20 C ATOM 1686 CE LYS A 101 0.151 -3.326 19.330 1.00 52.22 C ATOM 1687 NZ LYS A 101 -1.021 -3.661 20.178 1.00 40.43 N ATOM 0 H LYS A 101 -1.980 -1.036 15.605 1.00 21.25 H new ATOM 0 HA LYS A 101 -2.705 0.284 17.977 1.00 71.41 H new ATOM 0 HB2 LYS A 101 -1.347 -1.859 17.590 1.00 44.04 H new ATOM 0 HB3 LYS A 101 0.001 -0.853 17.098 1.00 44.04 H new ATOM 0 HG2 LYS A 101 0.017 0.186 19.397 1.00 3.43 H new ATOM 0 HG3 LYS A 101 -1.265 -0.909 19.873 1.00 3.43 H new ATOM 0 HD2 LYS A 101 1.540 -1.720 18.951 1.00 10.20 H new ATOM 0 HD3 LYS A 101 0.946 -1.773 20.599 1.00 10.20 H new ATOM 0 HE2 LYS A 101 -0.115 -3.455 18.281 1.00 52.22 H new ATOM 0 HE3 LYS A 101 0.960 -4.025 19.542 1.00 52.22 H new ATOM 0 HZ1 LYS A 101 -0.815 -4.517 20.732 1.00 40.43 H new ATOM 0 HZ2 LYS A 101 -1.220 -2.870 20.823 1.00 40.43 H new ATOM 0 HZ3 LYS A 101 -1.850 -3.831 19.573 1.00 40.43 H new ATOM 1701 N ASP A 102 -0.451 1.867 16.183 1.00 74.44 N ATOM 1702 CA ASP A 102 0.246 3.149 15.955 1.00 50.43 C ATOM 1703 C ASP A 102 -0.724 4.208 15.370 1.00 42.40 C ATOM 1704 O ASP A 102 -0.545 5.415 15.587 1.00 33.40 O ATOM 1705 CB ASP A 102 1.447 2.895 15.007 1.00 42.11 C ATOM 1706 CG ASP A 102 2.232 4.171 14.647 1.00 1.04 C ATOM 1707 OD1 ASP A 102 2.976 4.692 15.510 1.00 14.25 O ATOM 1708 OD2 ASP A 102 2.124 4.649 13.496 1.00 60.55 O ATOM 0 H ASP A 102 -0.321 1.196 15.426 1.00 74.44 H new ATOM 0 HA ASP A 102 0.613 3.545 16.902 1.00 50.43 H new ATOM 0 HB2 ASP A 102 2.125 2.182 15.477 1.00 42.11 H new ATOM 0 HB3 ASP A 102 1.083 2.432 14.090 1.00 42.11 H new ATOM 1713 N GLY A 103 -1.765 3.735 14.653 1.00 23.20 N ATOM 1714 CA GLY A 103 -2.816 4.602 14.093 1.00 40.15 C ATOM 1715 C GLY A 103 -2.759 4.723 12.576 1.00 2.14 C ATOM 1716 O GLY A 103 -3.205 5.727 12.012 1.00 40.52 O ATOM 0 H GLY A 103 -1.898 2.745 14.448 1.00 23.20 H new ATOM 0 HA2 GLY A 103 -3.791 4.210 14.382 1.00 40.15 H new ATOM 0 HA3 GLY A 103 -2.729 5.596 14.532 1.00 40.15 H new ATOM 1720 N VAL A 104 -2.213 3.688 11.915 1.00 11.40 N ATOM 1721 CA VAL A 104 -2.118 3.616 10.443 1.00 21.34 C ATOM 1722 C VAL A 104 -3.440 3.080 9.858 1.00 44.30 C ATOM 1723 O VAL A 104 -3.996 2.112 10.395 1.00 75.11 O ATOM 1724 CB VAL A 104 -0.911 2.697 10.003 1.00 21.44 C ATOM 1725 CG1 VAL A 104 -0.717 2.691 8.466 1.00 4.12 C ATOM 1726 CG2 VAL A 104 0.393 3.109 10.740 1.00 63.12 C ATOM 0 H VAL A 104 -1.823 2.873 12.387 1.00 11.40 H new ATOM 0 HA VAL A 104 -1.938 4.619 10.057 1.00 21.34 H new ATOM 0 HB VAL A 104 -1.154 1.675 10.293 1.00 21.44 H new ATOM 0 HG11 VAL A 104 0.123 2.047 8.208 1.00 4.12 H new ATOM 0 HG12 VAL A 104 -1.622 2.317 7.987 1.00 4.12 H new ATOM 0 HG13 VAL A 104 -0.516 3.705 8.121 1.00 4.12 H new ATOM 0 HG21 VAL A 104 1.211 2.463 10.421 1.00 63.12 H new ATOM 0 HG22 VAL A 104 0.635 4.145 10.501 1.00 63.12 H new ATOM 0 HG23 VAL A 104 0.250 3.009 11.816 1.00 63.12 H new ATOM 1736 N ASP A 105 -3.922 3.703 8.754 1.00 33.24 N ATOM 1737 CA ASP A 105 -5.202 3.349 8.108 1.00 52.23 C ATOM 1738 C ASP A 105 -5.059 2.010 7.369 1.00 12.32 C ATOM 1739 O ASP A 105 -4.368 1.934 6.354 1.00 41.20 O ATOM 1740 CB ASP A 105 -5.646 4.448 7.115 1.00 52.44 C ATOM 1741 CG ASP A 105 -7.027 4.158 6.486 1.00 3.10 C ATOM 1742 OD1 ASP A 105 -8.052 4.334 7.175 1.00 61.41 O ATOM 1743 OD2 ASP A 105 -7.100 3.755 5.302 1.00 15.42 O ATOM 0 H ASP A 105 -3.430 4.466 8.289 1.00 33.24 H new ATOM 0 HA ASP A 105 -5.963 3.260 8.884 1.00 52.23 H new ATOM 0 HB2 ASP A 105 -5.681 5.407 7.632 1.00 52.44 H new ATOM 0 HB3 ASP A 105 -4.902 4.539 6.323 1.00 52.44 H new ATOM 1748 N VAL A 106 -5.713 0.966 7.888 1.00 74.25 N ATOM 1749 CA VAL A 106 -5.527 -0.422 7.422 1.00 4.13 C ATOM 1750 C VAL A 106 -6.861 -1.130 7.144 1.00 11.53 C ATOM 1751 O VAL A 106 -7.901 -0.793 7.719 1.00 4.34 O ATOM 1752 CB VAL A 106 -4.686 -1.250 8.459 1.00 72.11 C ATOM 1753 CG1 VAL A 106 -3.227 -0.761 8.507 1.00 42.41 C ATOM 1754 CG2 VAL A 106 -5.320 -1.192 9.866 1.00 65.20 C ATOM 0 H VAL A 106 -6.390 1.055 8.646 1.00 74.25 H new ATOM 0 HA VAL A 106 -4.982 -0.366 6.480 1.00 4.13 H new ATOM 0 HB VAL A 106 -4.688 -2.288 8.127 1.00 72.11 H new ATOM 0 HG11 VAL A 106 -2.669 -1.352 9.233 1.00 42.41 H new ATOM 0 HG12 VAL A 106 -2.773 -0.873 7.522 1.00 42.41 H new ATOM 0 HG13 VAL A 106 -3.205 0.289 8.800 1.00 42.41 H new ATOM 0 HG21 VAL A 106 -4.716 -1.774 10.562 1.00 65.20 H new ATOM 0 HG22 VAL A 106 -5.364 -0.156 10.203 1.00 65.20 H new ATOM 0 HG23 VAL A 106 -6.328 -1.605 9.828 1.00 65.20 H new ATOM 1764 N ARG A 107 -6.793 -2.110 6.233 1.00 43.02 N ATOM 1765 CA ARG A 107 -7.918 -2.970 5.844 1.00 51.21 C ATOM 1766 C ARG A 107 -7.376 -4.361 5.480 1.00 22.41 C ATOM 1767 O ARG A 107 -6.409 -4.475 4.715 1.00 43.45 O ATOM 1768 CB ARG A 107 -8.695 -2.326 4.657 1.00 44.30 C ATOM 1769 CG ARG A 107 -7.794 -1.855 3.488 1.00 34.21 C ATOM 1770 CD ARG A 107 -8.529 -0.982 2.453 1.00 50.22 C ATOM 1771 NE ARG A 107 -9.273 0.146 3.042 1.00 51.44 N ATOM 1772 CZ ARG A 107 -8.766 1.122 3.817 1.00 43.54 C ATOM 1773 NH1 ARG A 107 -7.471 1.155 4.152 1.00 2.51 N ATOM 1774 NH2 ARG A 107 -9.562 2.095 4.228 1.00 12.22 N ATOM 0 H ARG A 107 -5.932 -2.332 5.734 1.00 43.02 H new ATOM 0 HA ARG A 107 -8.618 -3.076 6.673 1.00 51.21 H new ATOM 0 HB2 ARG A 107 -9.417 -3.048 4.276 1.00 44.30 H new ATOM 0 HB3 ARG A 107 -9.263 -1.473 5.029 1.00 44.30 H new ATOM 0 HG2 ARG A 107 -6.953 -1.292 3.893 1.00 34.21 H new ATOM 0 HG3 ARG A 107 -7.380 -2.729 2.985 1.00 34.21 H new ATOM 0 HD2 ARG A 107 -7.803 -0.592 1.740 1.00 50.22 H new ATOM 0 HD3 ARG A 107 -9.223 -1.608 1.892 1.00 50.22 H new ATOM 0 HE ARG A 107 -10.272 0.191 2.842 1.00 51.44 H new ATOM 0 HH11 ARG A 107 -6.839 0.427 3.818 1.00 2.51 H new ATOM 0 HH12 ARG A 107 -7.116 1.908 4.741 1.00 2.51 H new ATOM 0 HH21 ARG A 107 -10.545 2.098 3.957 1.00 12.22 H new ATOM 0 HH22 ARG A 107 -9.193 2.842 4.816 1.00 12.22 H new ATOM 1788 N VAL A 108 -7.980 -5.415 6.061 1.00 31.15 N ATOM 1789 CA VAL A 108 -7.594 -6.821 5.816 1.00 31.05 C ATOM 1790 C VAL A 108 -8.778 -7.614 5.239 1.00 11.22 C ATOM 1791 O VAL A 108 -9.927 -7.427 5.662 1.00 51.05 O ATOM 1792 CB VAL A 108 -7.054 -7.532 7.126 1.00 20.40 C ATOM 1793 CG1 VAL A 108 -5.670 -6.980 7.522 1.00 40.44 C ATOM 1794 CG2 VAL A 108 -8.056 -7.411 8.308 1.00 11.12 C ATOM 0 H VAL A 108 -8.754 -5.316 6.718 1.00 31.15 H new ATOM 0 HA VAL A 108 -6.781 -6.805 5.090 1.00 31.05 H new ATOM 0 HB VAL A 108 -6.949 -8.592 6.897 1.00 20.40 H new ATOM 0 HG11 VAL A 108 -5.322 -7.484 8.424 1.00 40.44 H new ATOM 0 HG12 VAL A 108 -4.963 -7.156 6.712 1.00 40.44 H new ATOM 0 HG13 VAL A 108 -5.746 -5.909 7.711 1.00 40.44 H new ATOM 0 HG21 VAL A 108 -7.646 -7.912 9.185 1.00 11.12 H new ATOM 0 HG22 VAL A 108 -8.224 -6.358 8.536 1.00 11.12 H new ATOM 0 HG23 VAL A 108 -9.002 -7.878 8.033 1.00 11.12 H new ATOM 1804 N THR A 109 -8.479 -8.469 4.246 1.00 61.52 N ATOM 1805 CA THR A 109 -9.449 -9.399 3.639 1.00 70.12 C ATOM 1806 C THR A 109 -8.695 -10.467 2.827 1.00 13.54 C ATOM 1807 O THR A 109 -7.460 -10.458 2.777 1.00 34.14 O ATOM 1808 CB THR A 109 -10.488 -8.654 2.722 1.00 40.22 C ATOM 1809 OG1 THR A 109 -11.558 -9.541 2.364 1.00 32.02 O ATOM 1810 CG2 THR A 109 -9.852 -8.080 1.430 1.00 54.44 C ATOM 0 H THR A 109 -7.547 -8.535 3.837 1.00 61.52 H new ATOM 0 HA THR A 109 -10.011 -9.872 4.444 1.00 70.12 H new ATOM 0 HB THR A 109 -10.867 -7.814 3.304 1.00 40.22 H new ATOM 0 HG1 THR A 109 -12.339 -9.017 2.089 1.00 32.02 H new ATOM 0 HG21 THR A 109 -10.618 -7.578 0.839 1.00 54.44 H new ATOM 0 HG22 THR A 109 -9.072 -7.366 1.695 1.00 54.44 H new ATOM 0 HG23 THR A 109 -9.418 -8.892 0.846 1.00 54.44 H new ATOM 1818 N ASP A 110 -9.439 -11.393 2.217 1.00 53.24 N ATOM 1819 CA ASP A 110 -8.885 -12.392 1.299 1.00 24.24 C ATOM 1820 C ASP A 110 -9.887 -12.641 0.164 1.00 1.33 C ATOM 1821 O ASP A 110 -10.800 -13.471 0.293 1.00 1.04 O ATOM 1822 CB ASP A 110 -8.546 -13.705 2.056 1.00 63.21 C ATOM 1823 CG ASP A 110 -8.018 -14.830 1.146 1.00 74.41 C ATOM 1824 OD1 ASP A 110 -8.435 -15.994 1.319 1.00 52.55 O ATOM 1825 OD2 ASP A 110 -7.187 -14.555 0.251 1.00 53.40 O ATOM 0 H ASP A 110 -10.448 -11.471 2.347 1.00 53.24 H new ATOM 0 HA ASP A 110 -7.955 -12.019 0.871 1.00 24.24 H new ATOM 0 HB2 ASP A 110 -7.800 -13.490 2.821 1.00 63.21 H new ATOM 0 HB3 ASP A 110 -9.440 -14.057 2.572 1.00 63.21 H new ATOM 1830 N ASN A 111 -9.736 -11.865 -0.916 1.00 31.12 N ATOM 1831 CA ASN A 111 -10.520 -12.008 -2.153 1.00 75.42 C ATOM 1832 C ASN A 111 -9.892 -11.136 -3.255 1.00 72.13 C ATOM 1833 O ASN A 111 -8.834 -10.538 -3.055 1.00 14.01 O ATOM 1834 CB ASN A 111 -12.015 -11.623 -1.929 1.00 34.00 C ATOM 1835 CG ASN A 111 -12.208 -10.145 -1.614 1.00 64.13 C ATOM 1836 OD1 ASN A 111 -12.275 -9.326 -2.525 1.00 3.32 O ATOM 1837 ND2 ASN A 111 -12.299 -9.793 -0.341 1.00 14.44 N ATOM 0 H ASN A 111 -9.055 -11.107 -0.958 1.00 31.12 H new ATOM 0 HA ASN A 111 -10.500 -13.053 -2.461 1.00 75.42 H new ATOM 0 HB2 ASN A 111 -12.587 -11.876 -2.821 1.00 34.00 H new ATOM 0 HB3 ASN A 111 -12.419 -12.219 -1.111 1.00 34.00 H new ATOM 0 HD21 ASN A 111 -12.429 -8.813 -0.091 1.00 14.44 H new ATOM 0 HD22 ASN A 111 -12.239 -10.502 0.390 1.00 14.44 H new ATOM 1844 N GLU A 112 -10.557 -11.070 -4.415 1.00 24.21 N ATOM 1845 CA GLU A 112 -10.116 -10.252 -5.555 1.00 54.44 C ATOM 1846 C GLU A 112 -11.004 -8.993 -5.704 1.00 74.04 C ATOM 1847 O GLU A 112 -10.502 -7.869 -5.643 1.00 45.10 O ATOM 1848 CB GLU A 112 -10.146 -11.108 -6.841 1.00 22.14 C ATOM 1849 CG GLU A 112 -9.656 -10.385 -8.110 1.00 14.15 C ATOM 1850 CD GLU A 112 -9.713 -11.288 -9.353 1.00 55.02 C ATOM 1851 OE1 GLU A 112 -10.757 -11.303 -10.036 1.00 54.34 O ATOM 1852 OE2 GLU A 112 -8.728 -12.010 -9.622 1.00 10.25 O ATOM 0 H GLU A 112 -11.420 -11.584 -4.591 1.00 24.21 H new ATOM 0 HA GLU A 112 -9.095 -9.913 -5.380 1.00 54.44 H new ATOM 0 HB2 GLU A 112 -9.532 -11.995 -6.685 1.00 22.14 H new ATOM 0 HB3 GLU A 112 -11.167 -11.453 -7.007 1.00 22.14 H new ATOM 0 HG2 GLU A 112 -10.267 -9.498 -8.279 1.00 14.15 H new ATOM 0 HG3 GLU A 112 -8.632 -10.043 -7.958 1.00 14.15 H new ATOM 1859 N ASP A 113 -12.332 -9.200 -5.843 1.00 41.33 N ATOM 1860 CA ASP A 113 -13.291 -8.148 -6.257 1.00 64.14 C ATOM 1861 C ASP A 113 -13.399 -6.999 -5.222 1.00 2.41 C ATOM 1862 O ASP A 113 -13.265 -5.821 -5.587 1.00 43.50 O ATOM 1863 CB ASP A 113 -14.691 -8.767 -6.531 1.00 14.15 C ATOM 1864 CG ASP A 113 -15.697 -7.738 -7.088 1.00 15.24 C ATOM 1865 OD1 ASP A 113 -16.519 -7.192 -6.313 1.00 75.53 O ATOM 1866 OD2 ASP A 113 -15.656 -7.445 -8.306 1.00 11.40 O ATOM 0 H ASP A 113 -12.772 -10.104 -5.671 1.00 41.33 H new ATOM 0 HA ASP A 113 -12.905 -7.710 -7.178 1.00 64.14 H new ATOM 0 HB2 ASP A 113 -14.588 -9.589 -7.239 1.00 14.15 H new ATOM 0 HB3 ASP A 113 -15.084 -9.190 -5.607 1.00 14.15 H new ATOM 1871 N GLU A 114 -13.647 -7.356 -3.942 1.00 21.44 N ATOM 1872 CA GLU A 114 -13.719 -6.384 -2.822 1.00 11.12 C ATOM 1873 C GLU A 114 -12.368 -5.688 -2.616 1.00 74.30 C ATOM 1874 O GLU A 114 -12.330 -4.499 -2.330 1.00 75.41 O ATOM 1875 CB GLU A 114 -14.141 -7.072 -1.499 1.00 11.32 C ATOM 1876 CG GLU A 114 -14.255 -6.113 -0.287 1.00 22.15 C ATOM 1877 CD GLU A 114 -14.395 -6.844 1.049 1.00 21.20 C ATOM 1878 OE1 GLU A 114 -15.527 -6.993 1.558 1.00 0.22 O ATOM 1879 OE2 GLU A 114 -13.366 -7.272 1.600 1.00 65.21 O ATOM 0 H GLU A 114 -13.803 -8.322 -3.654 1.00 21.44 H new ATOM 0 HA GLU A 114 -14.473 -5.644 -3.090 1.00 11.12 H new ATOM 0 HB2 GLU A 114 -15.102 -7.563 -1.650 1.00 11.32 H new ATOM 0 HB3 GLU A 114 -13.418 -7.852 -1.263 1.00 11.32 H new ATOM 0 HG2 GLU A 114 -13.373 -5.474 -0.253 1.00 22.15 H new ATOM 0 HG3 GLU A 114 -15.116 -5.460 -0.428 1.00 22.15 H new ATOM 1886 N ALA A 115 -11.271 -6.455 -2.762 1.00 32.12 N ATOM 1887 CA ALA A 115 -9.897 -5.929 -2.653 1.00 24.42 C ATOM 1888 C ALA A 115 -9.656 -4.783 -3.664 1.00 1.55 C ATOM 1889 O ALA A 115 -8.971 -3.802 -3.358 1.00 42.11 O ATOM 1890 CB ALA A 115 -8.898 -7.073 -2.867 1.00 43.44 C ATOM 0 H ALA A 115 -11.312 -7.455 -2.959 1.00 32.12 H new ATOM 0 HA ALA A 115 -9.754 -5.513 -1.656 1.00 24.42 H new ATOM 0 HB1 ALA A 115 -7.881 -6.688 -2.787 1.00 43.44 H new ATOM 0 HB2 ALA A 115 -9.056 -7.840 -2.109 1.00 43.44 H new ATOM 0 HB3 ALA A 115 -9.046 -7.505 -3.857 1.00 43.44 H new ATOM 1896 N LYS A 116 -10.271 -4.927 -4.854 1.00 73.32 N ATOM 1897 CA LYS A 116 -10.223 -3.933 -5.946 1.00 30.53 C ATOM 1898 C LYS A 116 -11.124 -2.712 -5.640 1.00 52.43 C ATOM 1899 O LYS A 116 -10.827 -1.591 -6.076 1.00 54.32 O ATOM 1900 CB LYS A 116 -10.647 -4.618 -7.271 1.00 24.11 C ATOM 1901 CG LYS A 116 -9.667 -5.716 -7.763 1.00 12.43 C ATOM 1902 CD LYS A 116 -10.239 -6.568 -8.921 1.00 55.15 C ATOM 1903 CE LYS A 116 -10.520 -5.757 -10.198 1.00 33.20 C ATOM 1904 NZ LYS A 116 -11.131 -6.596 -11.263 1.00 35.13 N ATOM 0 H LYS A 116 -10.825 -5.751 -5.088 1.00 73.32 H new ATOM 0 HA LYS A 116 -9.204 -3.559 -6.041 1.00 30.53 H new ATOM 0 HB2 LYS A 116 -11.634 -5.061 -7.138 1.00 24.11 H new ATOM 0 HB3 LYS A 116 -10.741 -3.857 -8.046 1.00 24.11 H new ATOM 0 HG2 LYS A 116 -8.739 -5.246 -8.090 1.00 12.43 H new ATOM 0 HG3 LYS A 116 -9.416 -6.371 -6.928 1.00 12.43 H new ATOM 0 HD2 LYS A 116 -9.536 -7.368 -9.155 1.00 55.15 H new ATOM 0 HD3 LYS A 116 -11.163 -7.042 -8.591 1.00 55.15 H new ATOM 0 HE2 LYS A 116 -11.186 -4.927 -9.962 1.00 33.20 H new ATOM 0 HE3 LYS A 116 -9.590 -5.324 -10.566 1.00 33.20 H new ATOM 0 HZ1 LYS A 116 -11.352 -6.003 -12.088 1.00 35.13 H new ATOM 0 HZ2 LYS A 116 -10.464 -7.343 -11.542 1.00 35.13 H new ATOM 0 HZ3 LYS A 116 -12.006 -7.030 -10.904 1.00 35.13 H new ATOM 1918 N LYS A 117 -12.219 -2.946 -4.883 1.00 71.11 N ATOM 1919 CA LYS A 117 -13.121 -1.871 -4.404 1.00 15.33 C ATOM 1920 C LYS A 117 -12.406 -1.015 -3.339 1.00 4.02 C ATOM 1921 O LYS A 117 -12.555 0.214 -3.299 1.00 74.33 O ATOM 1922 CB LYS A 117 -14.436 -2.469 -3.813 1.00 1.41 C ATOM 1923 CG LYS A 117 -15.276 -3.327 -4.793 1.00 73.15 C ATOM 1924 CD LYS A 117 -15.776 -2.530 -6.024 1.00 73.03 C ATOM 1925 CE LYS A 117 -16.718 -3.346 -6.925 1.00 4.10 C ATOM 1926 NZ LYS A 117 -16.075 -4.573 -7.454 1.00 71.04 N ATOM 0 H LYS A 117 -12.503 -3.880 -4.587 1.00 71.11 H new ATOM 0 HA LYS A 117 -13.382 -1.241 -5.254 1.00 15.33 H new ATOM 0 HB2 LYS A 117 -14.180 -3.082 -2.948 1.00 1.41 H new ATOM 0 HB3 LYS A 117 -15.057 -1.650 -3.451 1.00 1.41 H new ATOM 0 HG2 LYS A 117 -14.676 -4.171 -5.133 1.00 73.15 H new ATOM 0 HG3 LYS A 117 -16.134 -3.739 -4.262 1.00 73.15 H new ATOM 0 HD2 LYS A 117 -16.294 -1.633 -5.684 1.00 73.03 H new ATOM 0 HD3 LYS A 117 -14.918 -2.200 -6.609 1.00 73.03 H new ATOM 0 HE2 LYS A 117 -17.609 -3.621 -6.360 1.00 4.10 H new ATOM 0 HE3 LYS A 117 -17.048 -2.725 -7.758 1.00 4.10 H new ATOM 0 HZ1 LYS A 117 -16.356 -4.712 -8.446 1.00 71.04 H new ATOM 0 HZ2 LYS A 117 -15.041 -4.475 -7.397 1.00 71.04 H new ATOM 0 HZ3 LYS A 117 -16.377 -5.394 -6.891 1.00 71.04 H new ATOM 1940 N ARG A 118 -11.618 -1.706 -2.496 1.00 23.41 N ATOM 1941 CA ARG A 118 -10.797 -1.101 -1.432 1.00 51.35 C ATOM 1942 C ARG A 118 -9.595 -0.359 -2.034 1.00 53.41 C ATOM 1943 O ARG A 118 -9.094 0.610 -1.450 1.00 73.32 O ATOM 1944 CB ARG A 118 -10.298 -2.214 -0.475 1.00 74.14 C ATOM 1945 CG ARG A 118 -11.396 -2.990 0.293 1.00 50.20 C ATOM 1946 CD ARG A 118 -12.083 -2.180 1.415 1.00 61.34 C ATOM 1947 NE ARG A 118 -13.013 -1.153 0.915 1.00 51.40 N ATOM 1948 CZ ARG A 118 -14.340 -1.313 0.756 1.00 24.51 C ATOM 1949 NH1 ARG A 118 -14.938 -2.468 1.039 1.00 62.02 N ATOM 1950 NH2 ARG A 118 -15.077 -0.295 0.348 1.00 22.31 N ATOM 0 H ARG A 118 -11.532 -2.722 -2.536 1.00 23.41 H new ATOM 0 HA ARG A 118 -11.405 -0.384 -0.880 1.00 51.35 H new ATOM 0 HB2 ARG A 118 -9.713 -2.929 -1.054 1.00 74.14 H new ATOM 0 HB3 ARG A 118 -9.622 -1.764 0.252 1.00 74.14 H new ATOM 0 HG2 ARG A 118 -12.154 -3.320 -0.417 1.00 50.20 H new ATOM 0 HG3 ARG A 118 -10.954 -3.887 0.727 1.00 50.20 H new ATOM 0 HD2 ARG A 118 -12.627 -2.865 2.066 1.00 61.34 H new ATOM 0 HD3 ARG A 118 -11.318 -1.700 2.026 1.00 61.34 H new ATOM 0 HE ARG A 118 -12.619 -0.245 0.669 1.00 51.40 H new ATOM 0 HH11 ARG A 118 -14.389 -3.255 1.384 1.00 62.02 H new ATOM 0 HH12 ARG A 118 -15.945 -2.566 0.911 1.00 62.02 H new ATOM 0 HH21 ARG A 118 -14.640 0.606 0.155 1.00 22.31 H new ATOM 0 HH22 ARG A 118 -16.083 -0.410 0.226 1.00 22.31 H new ATOM 1964 N LEU A 119 -9.129 -0.869 -3.191 1.00 11.33 N ATOM 1965 CA LEU A 119 -8.023 -0.286 -3.954 1.00 25.05 C ATOM 1966 C LEU A 119 -8.436 1.117 -4.446 1.00 14.24 C ATOM 1967 O LEU A 119 -7.808 2.111 -4.061 1.00 71.51 O ATOM 1968 CB LEU A 119 -7.631 -1.246 -5.126 1.00 63.50 C ATOM 1969 CG LEU A 119 -6.153 -1.195 -5.647 1.00 63.20 C ATOM 1970 CD1 LEU A 119 -5.773 0.175 -6.221 1.00 60.34 C ATOM 1971 CD2 LEU A 119 -5.154 -1.628 -4.550 1.00 23.45 C ATOM 0 H LEU A 119 -9.519 -1.707 -3.622 1.00 11.33 H new ATOM 0 HA LEU A 119 -7.139 -0.169 -3.328 1.00 25.05 H new ATOM 0 HB2 LEU A 119 -7.839 -2.267 -4.807 1.00 63.50 H new ATOM 0 HB3 LEU A 119 -8.291 -1.035 -5.968 1.00 63.50 H new ATOM 0 HG LEU A 119 -6.093 -1.909 -6.468 1.00 63.20 H new ATOM 0 HD11 LEU A 119 -4.739 0.151 -6.566 1.00 60.34 H new ATOM 0 HD12 LEU A 119 -6.429 0.414 -7.058 1.00 60.34 H new ATOM 0 HD13 LEU A 119 -5.880 0.936 -5.448 1.00 60.34 H new ATOM 0 HD21 LEU A 119 -4.139 -1.581 -4.944 1.00 23.45 H new ATOM 0 HD22 LEU A 119 -5.242 -0.960 -3.693 1.00 23.45 H new ATOM 0 HD23 LEU A 119 -5.376 -2.649 -4.238 1.00 23.45 H new ATOM 1983 N LYS A 120 -9.530 1.182 -5.252 1.00 43.42 N ATOM 1984 CA LYS A 120 -10.089 2.460 -5.753 1.00 21.50 C ATOM 1985 C LYS A 120 -10.440 3.410 -4.591 1.00 25.12 C ATOM 1986 O LYS A 120 -10.189 4.612 -4.690 1.00 45.55 O ATOM 1987 CB LYS A 120 -11.344 2.227 -6.657 1.00 64.45 C ATOM 1988 CG LYS A 120 -12.199 3.510 -6.907 1.00 1.13 C ATOM 1989 CD LYS A 120 -13.372 3.319 -7.894 1.00 53.22 C ATOM 1990 CE LYS A 120 -12.906 3.157 -9.343 1.00 5.32 C ATOM 1991 NZ LYS A 120 -12.193 4.371 -9.823 1.00 12.24 N ATOM 0 H LYS A 120 -10.042 0.358 -5.568 1.00 43.42 H new ATOM 0 HA LYS A 120 -9.315 2.928 -6.362 1.00 21.50 H new ATOM 0 HB2 LYS A 120 -11.017 1.829 -7.618 1.00 64.45 H new ATOM 0 HB3 LYS A 120 -11.975 1.468 -6.195 1.00 64.45 H new ATOM 0 HG2 LYS A 120 -12.597 3.857 -5.953 1.00 1.13 H new ATOM 0 HG3 LYS A 120 -11.547 4.297 -7.286 1.00 1.13 H new ATOM 0 HD2 LYS A 120 -13.948 2.441 -7.602 1.00 53.22 H new ATOM 0 HD3 LYS A 120 -14.042 4.176 -7.826 1.00 53.22 H new ATOM 0 HE2 LYS A 120 -12.247 2.292 -9.420 1.00 5.32 H new ATOM 0 HE3 LYS A 120 -13.766 2.961 -9.984 1.00 5.32 H new ATOM 0 HZ1 LYS A 120 -12.040 4.301 -10.849 1.00 12.24 H new ATOM 0 HZ2 LYS A 120 -12.765 5.214 -9.615 1.00 12.24 H new ATOM 0 HZ3 LYS A 120 -11.275 4.448 -9.341 1.00 12.24 H new ATOM 2005 N GLU A 121 -10.985 2.838 -3.495 1.00 0.25 N ATOM 2006 CA GLU A 121 -11.364 3.583 -2.278 1.00 34.24 C ATOM 2007 C GLU A 121 -10.209 4.467 -1.777 1.00 30.41 C ATOM 2008 O GLU A 121 -10.402 5.658 -1.538 1.00 44.33 O ATOM 2009 CB GLU A 121 -11.803 2.590 -1.172 1.00 32.12 C ATOM 2010 CG GLU A 121 -12.130 3.227 0.192 1.00 43.44 C ATOM 2011 CD GLU A 121 -12.495 2.191 1.259 1.00 72.01 C ATOM 2012 OE1 GLU A 121 -13.699 2.015 1.549 1.00 32.23 O ATOM 2013 OE2 GLU A 121 -11.576 1.535 1.799 1.00 53.03 O ATOM 0 H GLU A 121 -11.175 1.838 -3.431 1.00 0.25 H new ATOM 0 HA GLU A 121 -12.198 4.240 -2.526 1.00 34.24 H new ATOM 0 HB2 GLU A 121 -12.682 2.048 -1.521 1.00 32.12 H new ATOM 0 HB3 GLU A 121 -11.010 1.855 -1.031 1.00 32.12 H new ATOM 0 HG2 GLU A 121 -11.271 3.806 0.533 1.00 43.44 H new ATOM 0 HG3 GLU A 121 -12.958 3.926 0.072 1.00 43.44 H new ATOM 2020 N LEU A 122 -9.002 3.872 -1.687 1.00 11.23 N ATOM 2021 CA LEU A 122 -7.797 4.573 -1.203 1.00 34.10 C ATOM 2022 C LEU A 122 -7.336 5.657 -2.179 1.00 55.02 C ATOM 2023 O LEU A 122 -6.868 6.711 -1.742 1.00 53.35 O ATOM 2024 CB LEU A 122 -6.649 3.578 -0.909 1.00 64.13 C ATOM 2025 CG LEU A 122 -6.897 2.612 0.292 1.00 41.50 C ATOM 2026 CD1 LEU A 122 -5.633 1.802 0.611 1.00 55.13 C ATOM 2027 CD2 LEU A 122 -7.398 3.379 1.534 1.00 62.13 C ATOM 0 H LEU A 122 -8.836 2.899 -1.946 1.00 11.23 H new ATOM 0 HA LEU A 122 -8.070 5.065 -0.270 1.00 34.10 H new ATOM 0 HB2 LEU A 122 -6.469 2.981 -1.803 1.00 64.13 H new ATOM 0 HB3 LEU A 122 -5.739 4.145 -0.716 1.00 64.13 H new ATOM 0 HG LEU A 122 -7.680 1.912 0.002 1.00 41.50 H new ATOM 0 HD11 LEU A 122 -5.830 1.136 1.451 1.00 55.13 H new ATOM 0 HD12 LEU A 122 -5.349 1.212 -0.261 1.00 55.13 H new ATOM 0 HD13 LEU A 122 -4.821 2.482 0.869 1.00 55.13 H new ATOM 0 HD21 LEU A 122 -7.561 2.678 2.353 1.00 62.13 H new ATOM 0 HD22 LEU A 122 -6.653 4.117 1.831 1.00 62.13 H new ATOM 0 HD23 LEU A 122 -8.334 3.884 1.297 1.00 62.13 H new ATOM 2039 N LEU A 123 -7.487 5.400 -3.491 1.00 65.30 N ATOM 2040 CA LEU A 123 -7.202 6.404 -4.543 1.00 42.31 C ATOM 2041 C LEU A 123 -8.119 7.633 -4.374 1.00 60.42 C ATOM 2042 O LEU A 123 -7.668 8.766 -4.523 1.00 73.43 O ATOM 2043 CB LEU A 123 -7.331 5.788 -5.976 1.00 23.12 C ATOM 2044 CG LEU A 123 -6.074 5.022 -6.529 1.00 45.04 C ATOM 2045 CD1 LEU A 123 -4.851 5.958 -6.655 1.00 60.40 C ATOM 2046 CD2 LEU A 123 -5.724 3.775 -5.687 1.00 23.13 C ATOM 0 H LEU A 123 -7.806 4.502 -3.853 1.00 65.30 H new ATOM 0 HA LEU A 123 -6.168 6.730 -4.429 1.00 42.31 H new ATOM 0 HB2 LEU A 123 -8.176 5.100 -5.976 1.00 23.12 H new ATOM 0 HB3 LEU A 123 -7.574 6.591 -6.672 1.00 23.12 H new ATOM 0 HG LEU A 123 -6.341 4.673 -7.526 1.00 45.04 H new ATOM 0 HD11 LEU A 123 -4.000 5.395 -7.040 1.00 60.40 H new ATOM 0 HD12 LEU A 123 -5.086 6.774 -7.339 1.00 60.40 H new ATOM 0 HD13 LEU A 123 -4.603 6.366 -5.675 1.00 60.40 H new ATOM 0 HD21 LEU A 123 -4.849 3.283 -6.112 1.00 23.13 H new ATOM 0 HD22 LEU A 123 -5.509 4.077 -4.662 1.00 23.13 H new ATOM 0 HD23 LEU A 123 -6.567 3.084 -5.692 1.00 23.13 H new ATOM 2058 N GLU A 124 -9.394 7.384 -4.004 1.00 61.12 N ATOM 2059 CA GLU A 124 -10.399 8.443 -3.750 1.00 62.12 C ATOM 2060 C GLU A 124 -10.086 9.174 -2.431 1.00 3.54 C ATOM 2061 O GLU A 124 -10.363 10.371 -2.290 1.00 72.22 O ATOM 2062 CB GLU A 124 -11.827 7.831 -3.703 1.00 75.23 C ATOM 2063 CG GLU A 124 -12.226 7.062 -4.975 1.00 11.43 C ATOM 2064 CD GLU A 124 -13.624 6.432 -4.919 1.00 41.24 C ATOM 2065 OE1 GLU A 124 -13.861 5.582 -4.036 1.00 63.11 O ATOM 2066 OE2 GLU A 124 -14.479 6.760 -5.779 1.00 15.12 O ATOM 0 H GLU A 124 -9.758 6.440 -3.872 1.00 61.12 H new ATOM 0 HA GLU A 124 -10.356 9.165 -4.565 1.00 62.12 H new ATOM 0 HB2 GLU A 124 -11.893 7.157 -2.849 1.00 75.23 H new ATOM 0 HB3 GLU A 124 -12.548 8.631 -3.535 1.00 75.23 H new ATOM 0 HG2 GLU A 124 -12.180 7.742 -5.826 1.00 11.43 H new ATOM 0 HG3 GLU A 124 -11.493 6.276 -5.155 1.00 11.43 H new ATOM 2073 N LYS A 125 -9.494 8.430 -1.473 1.00 11.13 N ATOM 2074 CA LYS A 125 -9.092 8.965 -0.162 1.00 4.54 C ATOM 2075 C LYS A 125 -7.864 9.887 -0.272 1.00 74.33 C ATOM 2076 O LYS A 125 -7.672 10.770 0.576 1.00 2.41 O ATOM 2077 CB LYS A 125 -8.860 7.819 0.860 1.00 32.33 C ATOM 2078 CG LYS A 125 -10.162 7.083 1.277 1.00 41.01 C ATOM 2079 CD LYS A 125 -9.931 6.003 2.359 1.00 24.32 C ATOM 2080 CE LYS A 125 -9.339 6.576 3.655 1.00 0.12 C ATOM 2081 NZ LYS A 125 -9.260 5.563 4.728 1.00 42.32 N ATOM 0 H LYS A 125 -9.282 7.439 -1.591 1.00 11.13 H new ATOM 0 HA LYS A 125 -9.914 9.578 0.209 1.00 4.54 H new ATOM 0 HB2 LYS A 125 -8.166 7.096 0.431 1.00 32.33 H new ATOM 0 HB3 LYS A 125 -8.383 8.229 1.751 1.00 32.33 H new ATOM 0 HG2 LYS A 125 -10.881 7.813 1.649 1.00 41.01 H new ATOM 0 HG3 LYS A 125 -10.606 6.618 0.397 1.00 41.01 H new ATOM 0 HD2 LYS A 125 -10.878 5.512 2.584 1.00 24.32 H new ATOM 0 HD3 LYS A 125 -9.261 5.239 1.966 1.00 24.32 H new ATOM 0 HE2 LYS A 125 -8.342 6.969 3.455 1.00 0.12 H new ATOM 0 HE3 LYS A 125 -9.950 7.413 3.992 1.00 0.12 H new ATOM 0 HZ1 LYS A 125 -9.050 6.031 5.633 1.00 42.32 H new ATOM 0 HZ2 LYS A 125 -10.168 5.062 4.800 1.00 42.32 H new ATOM 0 HZ3 LYS A 125 -8.506 4.882 4.508 1.00 42.32 H new ATOM 2095 N VAL A 126 -7.043 9.685 -1.320 1.00 25.43 N ATOM 2096 CA VAL A 126 -5.974 10.634 -1.687 1.00 71.15 C ATOM 2097 C VAL A 126 -6.618 11.933 -2.222 1.00 55.10 C ATOM 2098 O VAL A 126 -6.196 13.041 -1.874 1.00 71.05 O ATOM 2099 CB VAL A 126 -4.997 10.047 -2.782 1.00 55.40 C ATOM 2100 CG1 VAL A 126 -3.869 11.052 -3.125 1.00 14.11 C ATOM 2101 CG2 VAL A 126 -4.412 8.680 -2.350 1.00 33.43 C ATOM 0 H VAL A 126 -7.100 8.869 -1.930 1.00 25.43 H new ATOM 0 HA VAL A 126 -5.382 10.831 -0.793 1.00 71.15 H new ATOM 0 HB VAL A 126 -5.584 9.882 -3.685 1.00 55.40 H new ATOM 0 HG11 VAL A 126 -3.214 10.619 -3.881 1.00 14.11 H new ATOM 0 HG12 VAL A 126 -4.307 11.973 -3.509 1.00 14.11 H new ATOM 0 HG13 VAL A 126 -3.292 11.271 -2.227 1.00 14.11 H new ATOM 0 HG21 VAL A 126 -3.745 8.308 -3.128 1.00 33.43 H new ATOM 0 HG22 VAL A 126 -3.855 8.800 -1.421 1.00 33.43 H new ATOM 0 HG23 VAL A 126 -5.224 7.969 -2.197 1.00 33.43 H new