USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0.832 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -3.13! C(o=-2.3!,f=-10!) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.172 X(o=0.64,f=0.61) USER MOD Set 2.2: A 21 SER OG : rot -99:sc= 0.808 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -0.371 K(o=0.76,f=-9.2!) USER MOD Set 3.2: A 67 SER OG : rot 93:sc= -0.0016 USER MOD Set 3.3: A 69 SER OG : rot 129:sc= 1.13 USER MOD Set 4.1: A 11 CYS SG : rot -131:sc= -2.78 USER MOD Set 4.2: A 92 SER OG : rot 68:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0794 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -160:sc= -0.107 (180deg=-0.596) USER MOD Single : A 12 SER OG : rot -24:sc= 0.979 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 1.12 (180deg=-0.515) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= 1.02 USER MOD Single : A 29 GLN : amide:sc= -0.856 K(o=-0.86,f=-4.7!) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0504) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -116:sc= 0.276 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.09 (180deg=0.927) USER MOD Single : A 44 ASN : amide:sc= 0.692 K(o=0.69,f=-0.0055) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.04) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 97:sc= 1.2 USER MOD Single : A 59 SER OG : rot 145:sc= 0.973 USER MOD Single : A 62 SER OG : rot 86:sc= -1.92! USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 65 SER OG : rot -157:sc= -0.0294 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 56:sc= 1.4 USER MOD Single : A 83 GLN : amide:sc= -0.0635 K(o=-0.063,f=-0.68) USER MOD Single : A 84 MET CE :methyl 134:sc= -0.0472 (180deg=-0.422) USER MOD Single : A 85 GLN : amide:sc= 1.17 K(o=1.2,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 100 MET CE :methyl 143:sc= -0.0905 (180deg=-1.82) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00218 USER MOD Single : A 116 THR OG1 : rot -170:sc= 0.0433 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.845 14.738 -13.587 1.00 12.30 N ATOM 2 CA GLY A 1 9.362 15.322 -12.337 1.00 1.12 C ATOM 3 C GLY A 1 8.307 16.129 -11.618 1.00 22.43 C ATOM 4 O GLY A 1 7.309 16.526 -12.215 1.00 10.13 O ATOM 0 H1 GLY A 1 8.712 13.714 -13.463 1.00 12.30 H new ATOM 0 H2 GLY A 1 7.934 15.179 -13.826 1.00 12.30 H new ATOM 0 H3 GLY A 1 9.524 14.908 -14.356 1.00 12.30 H new ATOM 0 HA2 GLY A 1 9.719 14.526 -11.684 1.00 1.12 H new ATOM 0 HA3 GLY A 1 10.218 15.959 -12.560 1.00 1.12 H new ATOM 10 N SER A 2 8.522 16.373 -10.339 1.00 73.51 N ATOM 11 CA SER A 2 7.577 17.124 -9.543 1.00 52.22 C ATOM 12 C SER A 2 7.773 18.622 -9.758 1.00 32.30 C ATOM 13 O SER A 2 8.757 19.206 -9.300 1.00 31.10 O ATOM 14 CB SER A 2 7.733 16.760 -8.070 1.00 10.45 C ATOM 15 OG SER A 2 7.655 15.352 -7.897 1.00 2.45 O ATOM 0 H SER A 2 9.348 16.059 -9.829 1.00 73.51 H new ATOM 0 HA SER A 2 6.565 16.868 -9.857 1.00 52.22 H new ATOM 0 HB2 SER A 2 8.690 17.126 -7.698 1.00 10.45 H new ATOM 0 HB3 SER A 2 6.955 17.249 -7.484 1.00 10.45 H new ATOM 0 HG SER A 2 7.758 15.133 -6.947 1.00 2.45 H new ATOM 21 N HIS A 3 6.834 19.230 -10.466 1.00 72.21 N ATOM 22 CA HIS A 3 6.902 20.649 -10.793 1.00 22.23 C ATOM 23 C HIS A 3 6.038 21.476 -9.849 1.00 60.23 C ATOM 24 O HIS A 3 5.860 22.677 -10.046 1.00 0.24 O ATOM 25 CB HIS A 3 6.456 20.885 -12.239 1.00 45.24 C ATOM 26 CG HIS A 3 7.353 20.267 -13.265 1.00 34.24 C ATOM 27 ND1 HIS A 3 7.054 19.091 -13.922 1.00 61.51 N ATOM 28 CD2 HIS A 3 8.541 20.677 -13.763 1.00 63.24 C ATOM 29 CE1 HIS A 3 8.018 18.808 -14.773 1.00 62.01 C ATOM 30 NE2 HIS A 3 8.931 19.754 -14.697 1.00 44.30 N ATOM 0 H HIS A 3 6.006 18.758 -10.830 1.00 72.21 H new ATOM 0 HA HIS A 3 7.939 20.966 -10.678 1.00 22.23 H new ATOM 0 HB2 HIS A 3 5.449 20.488 -12.366 1.00 45.24 H new ATOM 0 HB3 HIS A 3 6.401 21.958 -12.420 1.00 45.24 H new ATOM 0 HD2 HIS A 3 9.082 21.567 -13.477 1.00 63.24 H new ATOM 0 HE1 HIS A 3 8.054 17.946 -15.423 1.00 62.01 H new ATOM 0 HE2 HIS A 3 9.790 19.793 -15.245 1.00 44.30 H new ATOM 39 N MET A 4 5.496 20.833 -8.833 1.00 13.53 N ATOM 40 CA MET A 4 4.655 21.519 -7.867 1.00 60.15 C ATOM 41 C MET A 4 4.751 20.864 -6.505 1.00 22.14 C ATOM 42 O MET A 4 4.945 19.645 -6.400 1.00 13.45 O ATOM 43 CB MET A 4 3.191 21.543 -8.327 1.00 15.24 C ATOM 44 CG MET A 4 2.582 20.163 -8.536 1.00 73.41 C ATOM 45 SD MET A 4 0.824 20.225 -8.937 1.00 73.31 S ATOM 46 CE MET A 4 0.148 20.862 -7.405 1.00 15.45 C ATOM 0 H MET A 4 5.622 19.837 -8.654 1.00 13.53 H new ATOM 0 HA MET A 4 5.015 22.545 -7.792 1.00 60.15 H new ATOM 0 HB2 MET A 4 2.598 22.082 -7.588 1.00 15.24 H new ATOM 0 HB3 MET A 4 3.124 22.103 -9.260 1.00 15.24 H new ATOM 0 HG2 MET A 4 3.115 19.654 -9.339 1.00 73.41 H new ATOM 0 HG3 MET A 4 2.723 19.569 -7.633 1.00 73.41 H new ATOM 0 HE1 MET A 4 -0.916 20.630 -7.353 1.00 15.45 H new ATOM 0 HE2 MET A 4 0.662 20.401 -6.561 1.00 15.45 H new ATOM 0 HE3 MET A 4 0.286 21.943 -7.368 1.00 15.45 H new ATOM 56 N GLU A 5 4.619 21.666 -5.470 1.00 61.23 N ATOM 57 CA GLU A 5 4.653 21.174 -4.114 1.00 61.13 C ATOM 58 C GLU A 5 3.274 21.305 -3.485 1.00 3.11 C ATOM 59 O GLU A 5 2.836 22.410 -3.149 1.00 40.10 O ATOM 60 CB GLU A 5 5.676 21.945 -3.282 1.00 0.54 C ATOM 61 CG GLU A 5 5.774 21.462 -1.844 1.00 25.01 C ATOM 62 CD GLU A 5 6.610 22.371 -0.981 1.00 65.41 C ATOM 63 OE1 GLU A 5 6.084 23.395 -0.508 1.00 1.21 O ATOM 64 OE2 GLU A 5 7.802 22.061 -0.762 1.00 20.41 O ATOM 0 H GLU A 5 4.486 22.674 -5.547 1.00 61.23 H new ATOM 0 HA GLU A 5 4.946 20.124 -4.135 1.00 61.13 H new ATOM 0 HB2 GLU A 5 6.655 21.859 -3.753 1.00 0.54 H new ATOM 0 HB3 GLU A 5 5.412 23.003 -3.285 1.00 0.54 H new ATOM 0 HG2 GLU A 5 4.772 21.387 -1.421 1.00 25.01 H new ATOM 0 HG3 GLU A 5 6.202 20.460 -1.830 1.00 25.01 H new ATOM 71 N PRO A 6 2.552 20.197 -3.353 1.00 3.13 N ATOM 72 CA PRO A 6 1.241 20.196 -2.750 1.00 12.31 C ATOM 73 C PRO A 6 1.310 20.007 -1.239 1.00 75.20 C ATOM 74 O PRO A 6 2.098 19.199 -0.734 1.00 72.01 O ATOM 75 CB PRO A 6 0.567 18.997 -3.410 1.00 21.34 C ATOM 76 CG PRO A 6 1.681 18.034 -3.677 1.00 62.14 C ATOM 77 CD PRO A 6 2.954 18.849 -3.793 1.00 65.10 C ATOM 0 HA PRO A 6 0.711 21.137 -2.896 1.00 12.31 H new ATOM 0 HB2 PRO A 6 -0.188 18.558 -2.757 1.00 21.34 H new ATOM 0 HB3 PRO A 6 0.063 19.285 -4.332 1.00 21.34 H new ATOM 0 HG2 PRO A 6 1.762 17.305 -2.871 1.00 62.14 H new ATOM 0 HG3 PRO A 6 1.496 17.475 -4.594 1.00 62.14 H new ATOM 0 HD2 PRO A 6 3.747 18.443 -3.165 1.00 65.10 H new ATOM 0 HD3 PRO A 6 3.331 18.858 -4.816 1.00 65.10 H new ATOM 85 N ALA A 7 0.508 20.758 -0.520 1.00 3.22 N ATOM 86 CA ALA A 7 0.449 20.630 0.920 1.00 22.31 C ATOM 87 C ALA A 7 -0.597 19.599 1.298 1.00 61.33 C ATOM 88 O ALA A 7 -0.653 19.134 2.433 1.00 21.33 O ATOM 89 CB ALA A 7 0.138 21.966 1.565 1.00 35.31 C ATOM 0 H ALA A 7 -0.115 21.466 -0.909 1.00 3.22 H new ATOM 0 HA ALA A 7 1.422 20.300 1.285 1.00 22.31 H new ATOM 0 HB1 ALA A 7 0.098 21.847 2.648 1.00 35.31 H new ATOM 0 HB2 ALA A 7 0.916 22.684 1.307 1.00 35.31 H new ATOM 0 HB3 ALA A 7 -0.825 22.329 1.204 1.00 35.31 H new ATOM 95 N ARG A 8 -1.425 19.250 0.327 1.00 73.52 N ATOM 96 CA ARG A 8 -2.471 18.265 0.510 1.00 21.03 C ATOM 97 C ARG A 8 -2.367 17.198 -0.567 1.00 33.33 C ATOM 98 O ARG A 8 -2.498 17.488 -1.761 1.00 11.13 O ATOM 99 CB ARG A 8 -3.845 18.935 0.457 1.00 14.24 C ATOM 100 CG ARG A 8 -4.065 19.969 1.547 1.00 62.31 C ATOM 101 CD ARG A 8 -5.365 20.725 1.345 1.00 52.35 C ATOM 102 NE ARG A 8 -5.603 21.692 2.416 1.00 55.33 N ATOM 103 CZ ARG A 8 -5.733 23.007 2.236 1.00 4.43 C ATOM 104 NH1 ARG A 8 -5.646 23.537 1.018 1.00 71.32 N ATOM 105 NH2 ARG A 8 -5.949 23.794 3.280 1.00 13.12 N ATOM 0 H ARG A 8 -1.388 19.645 -0.613 1.00 73.52 H new ATOM 0 HA ARG A 8 -2.350 17.798 1.487 1.00 21.03 H new ATOM 0 HB2 ARG A 8 -3.968 19.413 -0.515 1.00 14.24 H new ATOM 0 HB3 ARG A 8 -4.616 18.168 0.535 1.00 14.24 H new ATOM 0 HG2 ARG A 8 -4.077 19.477 2.519 1.00 62.31 H new ATOM 0 HG3 ARG A 8 -3.232 20.672 1.556 1.00 62.31 H new ATOM 0 HD2 ARG A 8 -5.339 21.243 0.386 1.00 52.35 H new ATOM 0 HD3 ARG A 8 -6.194 20.018 1.303 1.00 52.35 H new ATOM 0 HE ARG A 8 -5.675 21.335 3.369 1.00 55.33 H new ATOM 0 HH11 ARG A 8 -5.478 22.936 0.211 1.00 71.32 H new ATOM 0 HH12 ARG A 8 -5.747 24.544 0.892 1.00 71.32 H new ATOM 0 HH21 ARG A 8 -6.015 23.393 4.216 1.00 13.12 H new ATOM 0 HH22 ARG A 8 -6.049 24.800 3.148 1.00 13.12 H new ATOM 119 N VAL A 9 -2.118 15.978 -0.155 1.00 41.34 N ATOM 120 CA VAL A 9 -1.983 14.875 -1.080 1.00 62.34 C ATOM 121 C VAL A 9 -2.848 13.698 -0.634 1.00 60.21 C ATOM 122 O VAL A 9 -2.919 13.385 0.552 1.00 33.02 O ATOM 123 CB VAL A 9 -0.494 14.438 -1.221 1.00 20.14 C ATOM 124 CG1 VAL A 9 0.091 14.022 0.122 1.00 72.11 C ATOM 125 CG2 VAL A 9 -0.343 13.319 -2.243 1.00 41.25 C ATOM 0 H VAL A 9 -2.003 15.721 0.825 1.00 41.34 H new ATOM 0 HA VAL A 9 -2.327 15.210 -2.058 1.00 62.34 H new ATOM 0 HB VAL A 9 0.067 15.302 -1.579 1.00 20.14 H new ATOM 0 HG11 VAL A 9 1.131 13.723 -0.011 1.00 72.11 H new ATOM 0 HG12 VAL A 9 0.041 14.861 0.816 1.00 72.11 H new ATOM 0 HG13 VAL A 9 -0.479 13.184 0.523 1.00 72.11 H new ATOM 0 HG21 VAL A 9 0.707 13.035 -2.320 1.00 41.25 H new ATOM 0 HG22 VAL A 9 -0.930 12.456 -1.927 1.00 41.25 H new ATOM 0 HG23 VAL A 9 -0.698 13.663 -3.215 1.00 41.25 H new ATOM 135 N ARG A 10 -3.525 13.078 -1.576 1.00 34.44 N ATOM 136 CA ARG A 10 -4.371 11.939 -1.271 1.00 54.55 C ATOM 137 C ARG A 10 -3.792 10.680 -1.881 1.00 32.50 C ATOM 138 O ARG A 10 -3.519 10.629 -3.087 1.00 61.13 O ATOM 139 CB ARG A 10 -5.794 12.161 -1.780 1.00 75.52 C ATOM 140 CG ARG A 10 -6.707 10.972 -1.560 1.00 44.11 C ATOM 141 CD ARG A 10 -8.048 11.163 -2.238 1.00 54.53 C ATOM 142 NE ARG A 10 -8.839 9.939 -2.203 1.00 75.33 N ATOM 143 CZ ARG A 10 -9.571 9.480 -3.217 1.00 71.45 C ATOM 144 NH1 ARG A 10 -9.653 10.166 -4.350 1.00 23.31 N ATOM 145 NH2 ARG A 10 -10.221 8.338 -3.094 1.00 60.12 N ATOM 0 H ARG A 10 -3.508 13.342 -2.561 1.00 34.44 H new ATOM 0 HA ARG A 10 -4.410 11.826 -0.188 1.00 54.55 H new ATOM 0 HB2 ARG A 10 -6.218 13.032 -1.281 1.00 75.52 H new ATOM 0 HB3 ARG A 10 -5.759 12.390 -2.845 1.00 75.52 H new ATOM 0 HG2 ARG A 10 -6.230 10.071 -1.945 1.00 44.11 H new ATOM 0 HG3 ARG A 10 -6.858 10.822 -0.491 1.00 44.11 H new ATOM 0 HD2 ARG A 10 -8.596 11.966 -1.745 1.00 54.53 H new ATOM 0 HD3 ARG A 10 -7.894 11.470 -3.273 1.00 54.53 H new ATOM 0 HE ARG A 10 -8.831 9.395 -1.340 1.00 75.33 H new ATOM 0 HH11 ARG A 10 -9.154 11.050 -4.448 1.00 23.31 H new ATOM 0 HH12 ARG A 10 -10.215 9.809 -5.123 1.00 23.31 H new ATOM 0 HH21 ARG A 10 -10.162 7.809 -2.224 1.00 60.12 H new ATOM 0 HH22 ARG A 10 -10.782 7.985 -3.869 1.00 60.12 H new ATOM 159 N CYS A 11 -3.595 9.670 -1.057 1.00 21.44 N ATOM 160 CA CYS A 11 -3.039 8.417 -1.517 1.00 11.21 C ATOM 161 C CYS A 11 -3.678 7.236 -0.802 1.00 35.14 C ATOM 162 O CYS A 11 -3.934 7.286 0.405 1.00 1.52 O ATOM 163 CB CYS A 11 -1.519 8.395 -1.309 1.00 51.01 C ATOM 164 SG CYS A 11 -0.639 9.731 -2.150 1.00 3.33 S ATOM 0 H CYS A 11 -3.814 9.695 -0.061 1.00 21.44 H new ATOM 0 HA CYS A 11 -3.254 8.329 -2.582 1.00 11.21 H new ATOM 0 HB2 CYS A 11 -1.308 8.452 -0.241 1.00 51.01 H new ATOM 0 HB3 CYS A 11 -1.129 7.440 -1.661 1.00 51.01 H new ATOM 0 HG CYS A 11 0.366 9.239 -2.812 1.00 3.33 H new ATOM 170 N SER A 12 -3.945 6.193 -1.550 1.00 22.43 N ATOM 171 CA SER A 12 -4.486 4.974 -1.003 1.00 3.21 C ATOM 172 C SER A 12 -3.337 3.985 -0.796 1.00 41.51 C ATOM 173 O SER A 12 -2.314 4.071 -1.486 1.00 41.14 O ATOM 174 CB SER A 12 -5.542 4.403 -1.951 1.00 2.11 C ATOM 175 OG SER A 12 -6.509 5.396 -2.293 1.00 14.10 O ATOM 0 H SER A 12 -3.792 6.166 -2.558 1.00 22.43 H new ATOM 0 HA SER A 12 -4.969 5.167 -0.045 1.00 3.21 H new ATOM 0 HB2 SER A 12 -5.061 4.031 -2.856 1.00 2.11 H new ATOM 0 HB3 SER A 12 -6.038 3.554 -1.481 1.00 2.11 H new ATOM 0 HG SER A 12 -6.536 6.081 -1.593 1.00 14.10 H new ATOM 181 N HIS A 13 -3.484 3.056 0.141 1.00 71.12 N ATOM 182 CA HIS A 13 -2.384 2.150 0.450 1.00 23.33 C ATOM 183 C HIS A 13 -2.833 0.720 0.706 1.00 65.53 C ATOM 184 O HIS A 13 -3.907 0.474 1.256 1.00 11.52 O ATOM 185 CB HIS A 13 -1.566 2.668 1.654 1.00 50.02 C ATOM 186 CG HIS A 13 -2.275 2.625 2.989 1.00 64.22 C ATOM 187 ND1 HIS A 13 -1.635 2.299 4.164 1.00 42.25 N ATOM 188 CD2 HIS A 13 -3.558 2.889 3.331 1.00 61.11 C ATOM 189 CE1 HIS A 13 -2.486 2.366 5.164 1.00 2.50 C ATOM 190 NE2 HIS A 13 -3.660 2.722 4.689 1.00 44.33 N ATOM 0 H HIS A 13 -4.332 2.911 0.689 1.00 71.12 H new ATOM 0 HA HIS A 13 -1.755 2.130 -0.440 1.00 23.33 H new ATOM 0 HB2 HIS A 13 -0.651 2.081 1.729 1.00 50.02 H new ATOM 0 HB3 HIS A 13 -1.268 3.697 1.453 1.00 50.02 H new ATOM 0 HD1 HIS A 13 -0.651 2.044 4.246 1.00 42.25 H new ATOM 0 HD2 HIS A 13 -4.353 3.177 2.660 1.00 61.11 H new ATOM 0 HE1 HIS A 13 -2.259 2.163 6.200 1.00 2.50 H new ATOM 199 N LEU A 14 -1.989 -0.208 0.303 1.00 51.45 N ATOM 200 CA LEU A 14 -2.202 -1.621 0.540 1.00 73.25 C ATOM 201 C LEU A 14 -1.003 -2.164 1.310 1.00 61.31 C ATOM 202 O LEU A 14 0.135 -1.756 1.055 1.00 2.34 O ATOM 203 CB LEU A 14 -2.387 -2.361 -0.803 1.00 64.54 C ATOM 204 CG LEU A 14 -2.759 -3.853 -0.730 1.00 54.45 C ATOM 205 CD1 LEU A 14 -3.526 -4.264 -1.973 1.00 34.20 C ATOM 206 CD2 LEU A 14 -1.514 -4.716 -0.590 1.00 65.34 C ATOM 0 H LEU A 14 -1.128 -0.000 -0.203 1.00 51.45 H new ATOM 0 HA LEU A 14 -3.107 -1.777 1.127 1.00 73.25 H new ATOM 0 HB2 LEU A 14 -3.162 -1.845 -1.371 1.00 64.54 H new ATOM 0 HB3 LEU A 14 -1.461 -2.269 -1.371 1.00 64.54 H new ATOM 0 HG LEU A 14 -3.388 -4.002 0.148 1.00 54.45 H new ATOM 0 HD11 LEU A 14 -3.783 -5.321 -1.909 1.00 34.20 H new ATOM 0 HD12 LEU A 14 -4.438 -3.673 -2.050 1.00 34.20 H new ATOM 0 HD13 LEU A 14 -2.908 -4.094 -2.855 1.00 34.20 H new ATOM 0 HD21 LEU A 14 -1.803 -5.766 -0.540 1.00 65.34 H new ATOM 0 HD22 LEU A 14 -0.864 -4.559 -1.450 1.00 65.34 H new ATOM 0 HD23 LEU A 14 -0.982 -4.443 0.321 1.00 65.34 H new ATOM 218 N LEU A 15 -1.253 -3.052 2.257 1.00 25.33 N ATOM 219 CA LEU A 15 -0.186 -3.614 3.073 1.00 51.04 C ATOM 220 C LEU A 15 -0.399 -5.102 3.296 1.00 13.23 C ATOM 221 O LEU A 15 -1.496 -5.539 3.650 1.00 12.33 O ATOM 222 CB LEU A 15 -0.100 -2.854 4.429 1.00 62.23 C ATOM 223 CG LEU A 15 0.968 -3.312 5.462 1.00 21.32 C ATOM 224 CD1 LEU A 15 0.494 -4.510 6.271 1.00 70.42 C ATOM 225 CD2 LEU A 15 2.290 -3.627 4.782 1.00 24.34 C ATOM 0 H LEU A 15 -2.185 -3.400 2.481 1.00 25.33 H new ATOM 0 HA LEU A 15 0.759 -3.493 2.544 1.00 51.04 H new ATOM 0 HB2 LEU A 15 0.079 -1.801 4.210 1.00 62.23 H new ATOM 0 HB3 LEU A 15 -1.076 -2.918 4.909 1.00 62.23 H new ATOM 0 HG LEU A 15 1.121 -2.481 6.151 1.00 21.32 H new ATOM 0 HD11 LEU A 15 1.269 -4.799 6.981 1.00 70.42 H new ATOM 0 HD12 LEU A 15 -0.415 -4.247 6.812 1.00 70.42 H new ATOM 0 HD13 LEU A 15 0.288 -5.344 5.600 1.00 70.42 H new ATOM 0 HD21 LEU A 15 3.017 -3.944 5.529 1.00 24.34 H new ATOM 0 HD22 LEU A 15 2.144 -4.426 4.055 1.00 24.34 H new ATOM 0 HD23 LEU A 15 2.658 -2.737 4.273 1.00 24.34 H new ATOM 237 N VAL A 16 0.650 -5.870 3.063 1.00 11.30 N ATOM 238 CA VAL A 16 0.645 -7.292 3.328 1.00 3.14 C ATOM 239 C VAL A 16 1.798 -7.620 4.274 1.00 1.13 C ATOM 240 O VAL A 16 2.947 -7.244 4.016 1.00 44.22 O ATOM 241 CB VAL A 16 0.787 -8.128 2.026 1.00 70.44 C ATOM 242 CG1 VAL A 16 0.795 -9.618 2.338 1.00 75.20 C ATOM 243 CG2 VAL A 16 -0.334 -7.800 1.052 1.00 64.42 C ATOM 0 H VAL A 16 1.530 -5.521 2.684 1.00 11.30 H new ATOM 0 HA VAL A 16 -0.312 -7.551 3.780 1.00 3.14 H new ATOM 0 HB VAL A 16 1.738 -7.868 1.561 1.00 70.44 H new ATOM 0 HG11 VAL A 16 0.895 -10.183 1.411 1.00 75.20 H new ATOM 0 HG12 VAL A 16 1.633 -9.848 2.996 1.00 75.20 H new ATOM 0 HG13 VAL A 16 -0.138 -9.892 2.831 1.00 75.20 H new ATOM 0 HG21 VAL A 16 -0.216 -8.396 0.147 1.00 64.42 H new ATOM 0 HG22 VAL A 16 -1.295 -8.027 1.513 1.00 64.42 H new ATOM 0 HG23 VAL A 16 -0.296 -6.741 0.796 1.00 64.42 H new ATOM 253 N LYS A 17 1.486 -8.282 5.382 1.00 43.41 N ATOM 254 CA LYS A 17 2.501 -8.641 6.370 1.00 62.34 C ATOM 255 C LYS A 17 3.409 -9.756 5.851 1.00 1.34 C ATOM 256 O LYS A 17 3.144 -10.359 4.808 1.00 31.42 O ATOM 257 CB LYS A 17 1.857 -9.100 7.682 1.00 12.02 C ATOM 258 CG LYS A 17 0.896 -8.107 8.319 1.00 23.52 C ATOM 259 CD LYS A 17 0.483 -8.593 9.702 1.00 63.34 C ATOM 260 CE LYS A 17 -0.662 -7.784 10.286 1.00 3.03 C ATOM 261 NZ LYS A 17 -0.357 -6.341 10.380 1.00 50.21 N ATOM 0 H LYS A 17 0.540 -8.581 5.620 1.00 43.41 H new ATOM 0 HA LYS A 17 3.096 -7.746 6.552 1.00 62.34 H new ATOM 0 HB2 LYS A 17 1.321 -10.031 7.498 1.00 12.02 H new ATOM 0 HB3 LYS A 17 2.649 -9.324 8.397 1.00 12.02 H new ATOM 0 HG2 LYS A 17 1.370 -7.128 8.395 1.00 23.52 H new ATOM 0 HG3 LYS A 17 0.015 -7.986 7.689 1.00 23.52 H new ATOM 0 HD2 LYS A 17 0.189 -9.641 9.642 1.00 63.34 H new ATOM 0 HD3 LYS A 17 1.340 -8.540 10.373 1.00 63.34 H new ATOM 0 HE2 LYS A 17 -1.550 -7.923 9.669 1.00 3.03 H new ATOM 0 HE3 LYS A 17 -0.900 -8.165 11.279 1.00 3.03 H new ATOM 0 HZ1 LYS A 17 -0.898 -5.922 11.163 1.00 50.21 H new ATOM 0 HZ2 LYS A 17 0.660 -6.212 10.554 1.00 50.21 H new ATOM 0 HZ3 LYS A 17 -0.618 -5.872 9.489 1.00 50.21 H new ATOM 275 N HIS A 18 4.466 -10.032 6.597 1.00 64.43 N ATOM 276 CA HIS A 18 5.410 -11.082 6.253 1.00 61.31 C ATOM 277 C HIS A 18 5.884 -11.800 7.520 1.00 31.03 C ATOM 278 O HIS A 18 5.626 -11.338 8.624 1.00 44.41 O ATOM 279 CB HIS A 18 6.598 -10.524 5.431 1.00 13.03 C ATOM 280 CG HIS A 18 7.312 -9.353 6.056 1.00 45.13 C ATOM 281 ND1 HIS A 18 8.533 -9.457 6.675 1.00 51.04 N ATOM 282 CD2 HIS A 18 6.967 -8.048 6.135 1.00 23.21 C ATOM 283 CE1 HIS A 18 8.905 -8.270 7.115 1.00 21.31 C ATOM 284 NE2 HIS A 18 7.977 -7.399 6.799 1.00 1.03 N ATOM 0 H HIS A 18 4.694 -9.535 7.458 1.00 64.43 H new ATOM 0 HA HIS A 18 4.903 -11.811 5.620 1.00 61.31 H new ATOM 0 HB2 HIS A 18 7.318 -11.326 5.272 1.00 13.03 H new ATOM 0 HB3 HIS A 18 6.232 -10.225 4.449 1.00 13.03 H new ATOM 0 HD2 HIS A 18 6.064 -7.600 5.747 1.00 23.21 H new ATOM 0 HE1 HIS A 18 9.820 -8.052 7.646 1.00 21.31 H new ATOM 0 HE2 HIS A 18 8.002 -6.402 7.012 1.00 1.03 H new ATOM 293 N SER A 19 6.566 -12.925 7.350 1.00 61.40 N ATOM 294 CA SER A 19 7.012 -13.754 8.478 1.00 31.24 C ATOM 295 C SER A 19 7.879 -12.983 9.478 1.00 0.54 C ATOM 296 O SER A 19 7.816 -13.228 10.678 1.00 64.25 O ATOM 297 CB SER A 19 7.780 -14.967 7.960 1.00 64.23 C ATOM 298 OG SER A 19 7.004 -15.699 7.028 1.00 20.12 O ATOM 0 H SER A 19 6.828 -13.293 6.435 1.00 61.40 H new ATOM 0 HA SER A 19 6.116 -14.073 9.010 1.00 31.24 H new ATOM 0 HB2 SER A 19 8.708 -14.641 7.490 1.00 64.23 H new ATOM 0 HB3 SER A 19 8.055 -15.611 8.795 1.00 64.23 H new ATOM 0 HG SER A 19 7.518 -16.470 6.709 1.00 20.12 H new ATOM 304 N GLN A 20 8.677 -12.055 8.982 1.00 21.22 N ATOM 305 CA GLN A 20 9.584 -11.307 9.844 1.00 5.22 C ATOM 306 C GLN A 20 8.940 -10.030 10.404 1.00 31.32 C ATOM 307 O GLN A 20 9.635 -9.172 10.951 1.00 32.43 O ATOM 308 CB GLN A 20 10.878 -10.967 9.095 1.00 25.43 C ATOM 309 CG GLN A 20 11.579 -12.177 8.478 1.00 54.01 C ATOM 310 CD GLN A 20 11.886 -13.268 9.485 1.00 51.14 C ATOM 311 OE1 GLN A 20 11.076 -14.171 9.712 1.00 75.52 O ATOM 312 NE2 GLN A 20 13.050 -13.202 10.086 1.00 2.11 N ATOM 0 H GLN A 20 8.718 -11.800 7.995 1.00 21.22 H new ATOM 0 HA GLN A 20 9.819 -11.948 10.693 1.00 5.22 H new ATOM 0 HB2 GLN A 20 10.650 -10.251 8.305 1.00 25.43 H new ATOM 0 HB3 GLN A 20 11.565 -10.475 9.783 1.00 25.43 H new ATOM 0 HG2 GLN A 20 10.952 -12.588 7.687 1.00 54.01 H new ATOM 0 HG3 GLN A 20 12.508 -11.851 8.011 1.00 54.01 H new ATOM 0 HE21 GLN A 20 13.692 -12.439 9.871 1.00 2.11 H new ATOM 0 HE22 GLN A 20 13.313 -13.913 10.768 1.00 2.11 H new ATOM 321 N SER A 21 7.622 -9.900 10.267 1.00 31.24 N ATOM 322 CA SER A 21 6.913 -8.741 10.808 1.00 22.15 C ATOM 323 C SER A 21 6.794 -8.853 12.329 1.00 53.11 C ATOM 324 O SER A 21 6.815 -9.958 12.876 1.00 54.10 O ATOM 325 CB SER A 21 5.517 -8.612 10.180 1.00 62.32 C ATOM 326 OG SER A 21 5.598 -8.368 8.781 1.00 22.25 O ATOM 0 H SER A 21 7.027 -10.577 9.790 1.00 31.24 H new ATOM 0 HA SER A 21 7.486 -7.847 10.562 1.00 22.15 H new ATOM 0 HB2 SER A 21 4.950 -9.525 10.359 1.00 62.32 H new ATOM 0 HB3 SER A 21 4.973 -7.799 10.662 1.00 62.32 H new ATOM 0 HG SER A 21 5.481 -7.410 8.609 1.00 22.25 H new ATOM 332 N ARG A 22 6.675 -7.709 13.006 1.00 23.31 N ATOM 333 CA ARG A 22 6.545 -7.686 14.465 1.00 61.14 C ATOM 334 C ARG A 22 5.270 -8.382 14.912 1.00 42.22 C ATOM 335 O ARG A 22 5.265 -9.126 15.893 1.00 55.32 O ATOM 336 CB ARG A 22 6.568 -6.251 14.994 1.00 12.21 C ATOM 337 CG ARG A 22 7.904 -5.558 14.834 1.00 31.54 C ATOM 338 CD ARG A 22 7.867 -4.148 15.399 1.00 22.00 C ATOM 339 NE ARG A 22 9.173 -3.501 15.318 1.00 15.23 N ATOM 340 CZ ARG A 22 9.426 -2.247 15.693 1.00 20.03 C ATOM 341 NH1 ARG A 22 8.454 -1.478 16.177 1.00 21.21 N ATOM 342 NH2 ARG A 22 10.655 -1.764 15.580 1.00 1.23 N ATOM 0 H ARG A 22 6.666 -6.788 12.568 1.00 23.31 H new ATOM 0 HA ARG A 22 7.398 -8.225 14.878 1.00 61.14 H new ATOM 0 HB2 ARG A 22 5.805 -5.671 14.475 1.00 12.21 H new ATOM 0 HB3 ARG A 22 6.299 -6.260 16.050 1.00 12.21 H new ATOM 0 HG2 ARG A 22 8.678 -6.135 15.341 1.00 31.54 H new ATOM 0 HG3 ARG A 22 8.173 -5.522 13.778 1.00 31.54 H new ATOM 0 HD2 ARG A 22 7.133 -3.556 14.853 1.00 22.00 H new ATOM 0 HD3 ARG A 22 7.541 -4.181 16.438 1.00 22.00 H new ATOM 0 HE ARG A 22 9.949 -4.049 14.947 1.00 15.23 H new ATOM 0 HH11 ARG A 22 7.507 -1.847 16.263 1.00 21.21 H new ATOM 0 HH12 ARG A 22 8.656 -0.520 16.462 1.00 21.21 H new ATOM 0 HH21 ARG A 22 11.401 -2.351 15.208 1.00 1.23 H new ATOM 0 HH22 ARG A 22 10.854 -0.805 15.865 1.00 1.23 H new ATOM 356 N ARG A 23 4.191 -8.127 14.201 1.00 74.42 N ATOM 357 CA ARG A 23 2.929 -8.762 14.493 1.00 35.11 C ATOM 358 C ARG A 23 2.632 -9.815 13.433 1.00 3.10 C ATOM 359 O ARG A 23 2.269 -9.482 12.306 1.00 63.20 O ATOM 360 CB ARG A 23 1.802 -7.725 14.545 1.00 1.34 C ATOM 361 CG ARG A 23 0.512 -8.235 15.176 1.00 40.42 C ATOM 362 CD ARG A 23 0.731 -8.644 16.625 1.00 43.20 C ATOM 363 NE ARG A 23 1.385 -7.582 17.392 1.00 64.25 N ATOM 364 CZ ARG A 23 1.947 -7.747 18.585 1.00 31.33 C ATOM 365 NH1 ARG A 23 1.893 -8.924 19.200 1.00 30.01 N ATOM 366 NH2 ARG A 23 2.556 -6.727 19.170 1.00 42.42 N ATOM 0 H ARG A 23 4.166 -7.480 13.413 1.00 74.42 H new ATOM 0 HA ARG A 23 2.992 -9.243 15.469 1.00 35.11 H new ATOM 0 HB2 ARG A 23 2.148 -6.856 15.105 1.00 1.34 H new ATOM 0 HB3 ARG A 23 1.588 -7.386 13.531 1.00 1.34 H new ATOM 0 HG2 ARG A 23 -0.252 -7.459 15.126 1.00 40.42 H new ATOM 0 HG3 ARG A 23 0.138 -9.087 14.608 1.00 40.42 H new ATOM 0 HD2 ARG A 23 -0.227 -8.888 17.084 1.00 43.20 H new ATOM 0 HD3 ARG A 23 1.340 -9.547 16.661 1.00 43.20 H new ATOM 0 HE ARG A 23 1.411 -6.649 16.981 1.00 64.25 H new ATOM 0 HH11 ARG A 23 1.417 -9.710 18.756 1.00 30.01 H new ATOM 0 HH12 ARG A 23 2.327 -9.041 20.115 1.00 30.01 H new ATOM 0 HH21 ARG A 23 2.592 -5.820 18.705 1.00 42.42 H new ATOM 0 HH22 ARG A 23 2.989 -6.848 20.086 1.00 42.42 H new ATOM 380 N PRO A 24 2.797 -11.099 13.776 1.00 34.32 N ATOM 381 CA PRO A 24 2.570 -12.205 12.846 1.00 64.31 C ATOM 382 C PRO A 24 1.097 -12.595 12.756 1.00 73.32 C ATOM 383 O PRO A 24 0.765 -13.707 12.362 1.00 11.35 O ATOM 384 CB PRO A 24 3.380 -13.335 13.467 1.00 43.15 C ATOM 385 CG PRO A 24 3.314 -13.080 14.933 1.00 53.51 C ATOM 386 CD PRO A 24 3.233 -11.582 15.103 1.00 2.12 C ATOM 0 HA PRO A 24 2.858 -11.955 11.825 1.00 64.31 H new ATOM 0 HB2 PRO A 24 2.961 -14.309 13.214 1.00 43.15 H new ATOM 0 HB3 PRO A 24 4.410 -13.328 13.109 1.00 43.15 H new ATOM 0 HG2 PRO A 24 2.444 -13.568 15.373 1.00 53.51 H new ATOM 0 HG3 PRO A 24 4.194 -13.481 15.437 1.00 53.51 H new ATOM 0 HD2 PRO A 24 2.523 -11.306 15.882 1.00 2.12 H new ATOM 0 HD3 PRO A 24 4.197 -11.159 15.386 1.00 2.12 H new ATOM 394 N SER A 25 0.230 -11.672 13.110 1.00 63.04 N ATOM 395 CA SER A 25 -1.193 -11.899 13.074 1.00 72.32 C ATOM 396 C SER A 25 -1.904 -10.623 12.667 1.00 11.44 C ATOM 397 O SER A 25 -1.368 -9.528 12.845 1.00 34.52 O ATOM 398 CB SER A 25 -1.678 -12.371 14.442 1.00 3.34 C ATOM 399 OG SER A 25 -1.232 -11.497 15.473 1.00 53.32 O ATOM 0 H SER A 25 0.496 -10.741 13.431 1.00 63.04 H new ATOM 0 HA SER A 25 -1.418 -12.674 12.341 1.00 72.32 H new ATOM 0 HB2 SER A 25 -2.767 -12.420 14.448 1.00 3.34 H new ATOM 0 HB3 SER A 25 -1.312 -13.380 14.633 1.00 3.34 H new ATOM 0 HG SER A 25 -1.557 -11.820 16.339 1.00 53.32 H new ATOM 405 N SER A 26 -3.089 -10.756 12.120 1.00 65.43 N ATOM 406 CA SER A 26 -3.844 -9.609 11.679 1.00 33.42 C ATOM 407 C SER A 26 -5.300 -9.744 12.097 1.00 15.42 C ATOM 408 O SER A 26 -5.641 -10.584 12.931 1.00 3.14 O ATOM 409 CB SER A 26 -3.751 -9.494 10.159 1.00 12.33 C ATOM 410 OG SER A 26 -4.317 -10.634 9.533 1.00 41.01 O ATOM 0 H SER A 26 -3.552 -11.652 11.969 1.00 65.43 H new ATOM 0 HA SER A 26 -3.430 -8.712 12.139 1.00 33.42 H new ATOM 0 HB2 SER A 26 -4.269 -8.595 9.825 1.00 12.33 H new ATOM 0 HB3 SER A 26 -2.708 -9.390 9.861 1.00 12.33 H new ATOM 0 HG SER A 26 -3.864 -10.797 8.680 1.00 41.01 H new ATOM 415 N TRP A 27 -6.149 -8.916 11.516 1.00 4.24 N ATOM 416 CA TRP A 27 -7.578 -8.960 11.771 1.00 2.43 C ATOM 417 C TRP A 27 -8.261 -9.851 10.740 1.00 61.41 C ATOM 418 O TRP A 27 -9.490 -9.916 10.662 1.00 61.41 O ATOM 419 CB TRP A 27 -8.167 -7.541 11.731 1.00 10.31 C ATOM 420 CG TRP A 27 -7.791 -6.769 10.497 1.00 52.42 C ATOM 421 CD1 TRP A 27 -6.631 -6.083 10.287 1.00 61.41 C ATOM 422 CD2 TRP A 27 -8.575 -6.600 9.310 1.00 63.20 C ATOM 423 NE1 TRP A 27 -6.642 -5.511 9.045 1.00 31.12 N ATOM 424 CE2 TRP A 27 -7.823 -5.808 8.424 1.00 14.25 C ATOM 425 CE3 TRP A 27 -9.836 -7.044 8.908 1.00 13.40 C ATOM 426 CZ2 TRP A 27 -8.288 -5.450 7.165 1.00 64.34 C ATOM 427 CZ3 TRP A 27 -10.298 -6.687 7.657 1.00 22.42 C ATOM 428 CH2 TRP A 27 -9.526 -5.898 6.798 1.00 60.11 C ATOM 0 H TRP A 27 -5.867 -8.193 10.853 1.00 4.24 H new ATOM 0 HA TRP A 27 -7.751 -9.377 12.763 1.00 2.43 H new ATOM 0 HB2 TRP A 27 -9.253 -7.605 11.792 1.00 10.31 H new ATOM 0 HB3 TRP A 27 -7.830 -6.992 12.610 1.00 10.31 H new ATOM 0 HD1 TRP A 27 -5.822 -6.003 10.998 1.00 61.41 H new ATOM 0 HE1 TRP A 27 -5.889 -4.952 8.645 1.00 31.12 H new ATOM 0 HE3 TRP A 27 -10.439 -7.655 9.563 1.00 13.40 H new ATOM 0 HZ2 TRP A 27 -7.693 -4.840 6.501 1.00 64.34 H new ATOM 0 HZ3 TRP A 27 -11.273 -7.023 7.336 1.00 22.42 H new ATOM 0 HH2 TRP A 27 -9.916 -5.638 5.825 1.00 60.11 H new ATOM 439 N ARG A 28 -7.450 -10.534 9.949 1.00 75.40 N ATOM 440 CA ARG A 28 -7.954 -11.415 8.918 1.00 42.54 C ATOM 441 C ARG A 28 -7.222 -12.756 8.921 1.00 75.31 C ATOM 442 O ARG A 28 -7.806 -13.788 8.592 1.00 55.34 O ATOM 443 CB ARG A 28 -7.846 -10.752 7.543 1.00 71.34 C ATOM 444 CG ARG A 28 -6.481 -10.154 7.245 1.00 72.34 C ATOM 445 CD ARG A 28 -6.372 -9.739 5.794 1.00 60.30 C ATOM 446 NE ARG A 28 -6.471 -10.893 4.903 1.00 24.44 N ATOM 447 CZ ARG A 28 -6.884 -10.842 3.640 1.00 55.14 C ATOM 448 NH1 ARG A 28 -7.278 -9.690 3.110 1.00 64.35 N ATOM 449 NH2 ARG A 28 -6.917 -11.950 2.916 1.00 24.41 N ATOM 0 H ARG A 28 -6.432 -10.492 10.005 1.00 75.40 H new ATOM 0 HA ARG A 28 -9.005 -11.607 9.133 1.00 42.54 H new ATOM 0 HB2 ARG A 28 -8.082 -11.490 6.777 1.00 71.34 H new ATOM 0 HB3 ARG A 28 -8.598 -9.966 7.471 1.00 71.34 H new ATOM 0 HG2 ARG A 28 -6.311 -9.290 7.887 1.00 72.34 H new ATOM 0 HG3 ARG A 28 -5.703 -10.882 7.478 1.00 72.34 H new ATOM 0 HD2 ARG A 28 -7.161 -9.025 5.557 1.00 60.30 H new ATOM 0 HD3 ARG A 28 -5.422 -9.230 5.629 1.00 60.30 H new ATOM 0 HE ARG A 28 -6.204 -11.804 5.277 1.00 24.44 H new ATOM 0 HH11 ARG A 28 -7.265 -8.839 3.672 1.00 64.35 H new ATOM 0 HH12 ARG A 28 -7.594 -9.656 2.141 1.00 64.35 H new ATOM 0 HH21 ARG A 28 -6.627 -12.837 3.328 1.00 24.41 H new ATOM 0 HH22 ARG A 28 -7.233 -11.917 1.947 1.00 24.41 H new ATOM 463 N GLN A 29 -5.952 -12.741 9.287 1.00 13.31 N ATOM 464 CA GLN A 29 -5.156 -13.954 9.339 1.00 1.35 C ATOM 465 C GLN A 29 -4.713 -14.223 10.777 1.00 33.32 C ATOM 466 O GLN A 29 -4.508 -13.284 11.557 1.00 12.23 O ATOM 467 CB GLN A 29 -3.930 -13.820 8.424 1.00 52.23 C ATOM 468 CG GLN A 29 -3.269 -15.146 8.068 1.00 40.12 C ATOM 469 CD GLN A 29 -4.096 -15.972 7.095 1.00 11.31 C ATOM 470 OE1 GLN A 29 -5.326 -15.879 7.063 1.00 41.12 O ATOM 471 NE2 GLN A 29 -3.432 -16.790 6.304 1.00 32.14 N ATOM 0 H GLN A 29 -5.448 -11.896 9.554 1.00 13.31 H new ATOM 0 HA GLN A 29 -5.761 -14.791 8.992 1.00 1.35 H new ATOM 0 HB2 GLN A 29 -4.230 -13.318 7.504 1.00 52.23 H new ATOM 0 HB3 GLN A 29 -3.195 -13.180 8.912 1.00 52.23 H new ATOM 0 HG2 GLN A 29 -2.289 -14.953 7.632 1.00 40.12 H new ATOM 0 HG3 GLN A 29 -3.105 -15.722 8.979 1.00 40.12 H new ATOM 0 HE21 GLN A 29 -2.415 -16.839 6.360 1.00 32.14 H new ATOM 0 HE22 GLN A 29 -3.935 -17.374 5.636 1.00 32.14 H new ATOM 480 N GLU A 30 -4.576 -15.493 11.132 1.00 62.43 N ATOM 481 CA GLU A 30 -4.162 -15.863 12.480 1.00 24.53 C ATOM 482 C GLU A 30 -2.648 -15.851 12.600 1.00 25.23 C ATOM 483 O GLU A 30 -2.099 -15.428 13.620 1.00 21.41 O ATOM 484 CB GLU A 30 -4.704 -17.239 12.860 1.00 61.43 C ATOM 485 CG GLU A 30 -6.211 -17.350 12.768 1.00 50.43 C ATOM 486 CD GLU A 30 -6.908 -16.278 13.559 1.00 23.44 C ATOM 487 OE1 GLU A 30 -6.739 -16.238 14.794 1.00 64.31 O ATOM 488 OE2 GLU A 30 -7.621 -15.457 12.949 1.00 10.13 O ATOM 0 H GLU A 30 -4.745 -16.283 10.509 1.00 62.43 H new ATOM 0 HA GLU A 30 -4.575 -15.125 13.168 1.00 24.53 H new ATOM 0 HB2 GLU A 30 -4.254 -17.989 12.209 1.00 61.43 H new ATOM 0 HB3 GLU A 30 -4.393 -17.473 13.878 1.00 61.43 H new ATOM 0 HG2 GLU A 30 -6.515 -17.285 11.723 1.00 50.43 H new ATOM 0 HG3 GLU A 30 -6.524 -18.329 13.131 1.00 50.43 H new ATOM 495 N LYS A 31 -1.982 -16.328 11.562 1.00 32.02 N ATOM 496 CA LYS A 31 -0.535 -16.345 11.532 1.00 0.21 C ATOM 497 C LYS A 31 -0.027 -16.064 10.125 1.00 31.13 C ATOM 498 O LYS A 31 -0.549 -16.599 9.144 1.00 11.54 O ATOM 499 CB LYS A 31 0.023 -17.681 12.049 1.00 75.11 C ATOM 500 CG LYS A 31 -0.405 -18.907 11.249 1.00 65.41 C ATOM 501 CD LYS A 31 0.270 -20.166 11.775 1.00 62.02 C ATOM 502 CE LYS A 31 -0.114 -21.399 10.965 1.00 52.12 C ATOM 503 NZ LYS A 31 -1.557 -21.727 11.085 1.00 42.52 N ATOM 0 H LYS A 31 -2.426 -16.710 10.727 1.00 32.02 H new ATOM 0 HA LYS A 31 -0.180 -15.557 12.197 1.00 0.21 H new ATOM 0 HB2 LYS A 31 1.112 -17.628 12.050 1.00 75.11 H new ATOM 0 HB3 LYS A 31 -0.291 -17.813 13.085 1.00 75.11 H new ATOM 0 HG2 LYS A 31 -1.488 -19.021 11.303 1.00 65.41 H new ATOM 0 HG3 LYS A 31 -0.152 -18.766 10.198 1.00 65.41 H new ATOM 0 HD2 LYS A 31 1.352 -20.036 11.747 1.00 62.02 H new ATOM 0 HD3 LYS A 31 -0.006 -20.317 12.819 1.00 62.02 H new ATOM 0 HE2 LYS A 31 0.132 -21.233 9.916 1.00 52.12 H new ATOM 0 HE3 LYS A 31 0.479 -22.250 11.301 1.00 52.12 H new ATOM 0 HZ1 LYS A 31 -1.744 -22.644 10.631 1.00 42.52 H new ATOM 0 HZ2 LYS A 31 -1.819 -21.779 12.090 1.00 42.52 H new ATOM 0 HZ3 LYS A 31 -2.121 -20.988 10.618 1.00 42.52 H new ATOM 517 N ILE A 32 0.965 -15.207 10.027 1.00 32.52 N ATOM 518 CA ILE A 32 1.543 -14.866 8.748 1.00 54.50 C ATOM 519 C ILE A 32 2.671 -15.835 8.406 1.00 23.53 C ATOM 520 O ILE A 32 3.817 -15.656 8.833 1.00 20.31 O ATOM 521 CB ILE A 32 2.075 -13.414 8.724 1.00 24.03 C ATOM 522 CG1 ILE A 32 0.980 -12.429 9.169 1.00 31.14 C ATOM 523 CG2 ILE A 32 2.576 -13.055 7.334 1.00 61.02 C ATOM 524 CD1 ILE A 32 -0.254 -12.430 8.285 1.00 45.52 C ATOM 0 H ILE A 32 1.390 -14.732 10.823 1.00 32.52 H new ATOM 0 HA ILE A 32 0.753 -14.944 8.001 1.00 54.50 H new ATOM 0 HB ILE A 32 2.908 -13.342 9.423 1.00 24.03 H new ATOM 0 HG12 ILE A 32 0.682 -12.671 10.189 1.00 31.14 H new ATOM 0 HG13 ILE A 32 1.398 -11.423 9.189 1.00 31.14 H new ATOM 0 HG21 ILE A 32 2.947 -12.030 7.334 1.00 61.02 H new ATOM 0 HG22 ILE A 32 3.382 -13.732 7.051 1.00 61.02 H new ATOM 0 HG23 ILE A 32 1.759 -13.145 6.618 1.00 61.02 H new ATOM 0 HD11 ILE A 32 -0.976 -11.709 8.668 1.00 45.52 H new ATOM 0 HD12 ILE A 32 0.027 -12.157 7.268 1.00 45.52 H new ATOM 0 HD13 ILE A 32 -0.700 -13.425 8.284 1.00 45.52 H new ATOM 536 N THR A 33 2.331 -16.869 7.665 1.00 10.12 N ATOM 537 CA THR A 33 3.292 -17.880 7.271 1.00 63.13 C ATOM 538 C THR A 33 4.082 -17.424 6.045 1.00 31.43 C ATOM 539 O THR A 33 5.193 -17.896 5.796 1.00 61.40 O ATOM 540 CB THR A 33 2.577 -19.209 6.941 1.00 14.40 C ATOM 541 OG1 THR A 33 1.560 -19.469 7.922 1.00 70.33 O ATOM 542 CG2 THR A 33 3.564 -20.366 6.929 1.00 22.25 C ATOM 0 H THR A 33 1.385 -17.033 7.320 1.00 10.12 H new ATOM 0 HA THR A 33 3.976 -18.032 8.106 1.00 63.13 H new ATOM 0 HB THR A 33 2.127 -19.118 5.952 1.00 14.40 H new ATOM 0 HG1 THR A 33 1.107 -20.312 7.709 1.00 70.33 H new ATOM 0 HG21 THR A 33 3.037 -21.291 6.694 1.00 22.25 H new ATOM 0 HG22 THR A 33 4.330 -20.183 6.175 1.00 22.25 H new ATOM 0 HG23 THR A 33 4.033 -20.454 7.909 1.00 22.25 H new ATOM 550 N ARG A 34 3.507 -16.502 5.290 1.00 10.10 N ATOM 551 CA ARG A 34 4.139 -16.004 4.076 1.00 61.31 C ATOM 552 C ARG A 34 5.317 -15.093 4.407 1.00 43.14 C ATOM 553 O ARG A 34 5.230 -14.242 5.292 1.00 51.23 O ATOM 554 CB ARG A 34 3.122 -15.251 3.208 1.00 23.30 C ATOM 555 CG ARG A 34 2.595 -13.973 3.838 1.00 60.53 C ATOM 556 CD ARG A 34 1.554 -13.306 2.966 1.00 53.33 C ATOM 557 NE ARG A 34 0.390 -14.166 2.756 1.00 53.32 N ATOM 558 CZ ARG A 34 -0.867 -13.813 3.021 1.00 41.30 C ATOM 559 NH1 ARG A 34 -1.135 -12.613 3.530 1.00 1.14 N ATOM 560 NH2 ARG A 34 -1.854 -14.664 2.782 1.00 2.43 N ATOM 0 H ARG A 34 2.601 -16.081 5.496 1.00 10.10 H new ATOM 0 HA ARG A 34 4.512 -16.863 3.518 1.00 61.31 H new ATOM 0 HB2 ARG A 34 3.586 -15.008 2.252 1.00 23.30 H new ATOM 0 HB3 ARG A 34 2.282 -15.912 2.996 1.00 23.30 H new ATOM 0 HG2 ARG A 34 2.162 -14.199 4.812 1.00 60.53 H new ATOM 0 HG3 ARG A 34 3.422 -13.284 4.009 1.00 60.53 H new ATOM 0 HD2 ARG A 34 1.237 -12.372 3.429 1.00 53.33 H new ATOM 0 HD3 ARG A 34 1.996 -13.051 2.003 1.00 53.33 H new ATOM 0 HE ARG A 34 0.552 -15.101 2.381 1.00 53.32 H new ATOM 0 HH11 ARG A 34 -0.376 -11.958 3.719 1.00 1.14 H new ATOM 0 HH12 ARG A 34 -2.099 -12.348 3.731 1.00 1.14 H new ATOM 0 HH21 ARG A 34 -1.650 -15.586 2.396 1.00 2.43 H new ATOM 0 HH22 ARG A 34 -2.818 -14.397 2.984 1.00 2.43 H new ATOM 574 N THR A 35 6.416 -15.292 3.721 1.00 54.21 N ATOM 575 CA THR A 35 7.584 -14.469 3.918 1.00 52.02 C ATOM 576 C THR A 35 7.576 -13.288 2.930 1.00 43.45 C ATOM 577 O THR A 35 6.582 -13.059 2.235 1.00 52.15 O ATOM 578 CB THR A 35 8.891 -15.296 3.770 1.00 2.13 C ATOM 579 OG1 THR A 35 10.018 -14.517 4.197 1.00 4.14 O ATOM 580 CG2 THR A 35 9.102 -15.747 2.326 1.00 20.41 C ATOM 0 H THR A 35 6.526 -16.022 3.017 1.00 54.21 H new ATOM 0 HA THR A 35 7.553 -14.078 4.935 1.00 52.02 H new ATOM 0 HB THR A 35 8.797 -16.182 4.398 1.00 2.13 H new ATOM 0 HG1 THR A 35 10.617 -14.363 3.436 1.00 4.14 H new ATOM 0 HG21 THR A 35 10.025 -16.323 2.256 1.00 20.41 H new ATOM 0 HG22 THR A 35 8.262 -16.367 2.012 1.00 20.41 H new ATOM 0 HG23 THR A 35 9.170 -14.873 1.678 1.00 20.41 H new ATOM 588 N LYS A 36 8.684 -12.556 2.882 1.00 52.41 N ATOM 589 CA LYS A 36 8.835 -11.391 2.014 1.00 41.33 C ATOM 590 C LYS A 36 8.485 -11.716 0.563 1.00 4.22 C ATOM 591 O LYS A 36 7.641 -11.061 -0.040 1.00 24.34 O ATOM 592 CB LYS A 36 10.277 -10.865 2.105 1.00 12.41 C ATOM 593 CG LYS A 36 10.647 -9.838 1.042 1.00 11.41 C ATOM 594 CD LYS A 36 12.074 -9.343 1.228 1.00 32.32 C ATOM 595 CE LYS A 36 12.516 -8.461 0.071 1.00 32.33 C ATOM 596 NZ LYS A 36 12.769 -9.246 -1.166 1.00 62.13 N ATOM 0 H LYS A 36 9.509 -12.755 3.448 1.00 52.41 H new ATOM 0 HA LYS A 36 8.140 -10.624 2.354 1.00 41.33 H new ATOM 0 HB2 LYS A 36 10.426 -10.420 3.089 1.00 12.41 H new ATOM 0 HB3 LYS A 36 10.963 -11.709 2.030 1.00 12.41 H new ATOM 0 HG2 LYS A 36 10.539 -10.281 0.052 1.00 11.41 H new ATOM 0 HG3 LYS A 36 9.958 -8.995 1.091 1.00 11.41 H new ATOM 0 HD2 LYS A 36 12.147 -8.784 2.161 1.00 32.32 H new ATOM 0 HD3 LYS A 36 12.747 -10.196 1.314 1.00 32.32 H new ATOM 0 HE2 LYS A 36 11.750 -7.712 -0.126 1.00 32.33 H new ATOM 0 HE3 LYS A 36 13.422 -7.924 0.351 1.00 32.33 H new ATOM 0 HZ1 LYS A 36 12.633 -8.637 -1.998 1.00 62.13 H new ATOM 0 HZ2 LYS A 36 13.745 -9.605 -1.156 1.00 62.13 H new ATOM 0 HZ3 LYS A 36 12.106 -10.046 -1.211 1.00 62.13 H new ATOM 610 N GLU A 37 9.121 -12.741 0.026 1.00 34.04 N ATOM 611 CA GLU A 37 8.919 -13.129 -1.362 1.00 54.04 C ATOM 612 C GLU A 37 7.491 -13.600 -1.628 1.00 70.10 C ATOM 613 O GLU A 37 6.909 -13.270 -2.661 1.00 73.33 O ATOM 614 CB GLU A 37 9.922 -14.203 -1.756 1.00 41.44 C ATOM 615 CG GLU A 37 11.365 -13.740 -1.672 1.00 25.13 C ATOM 616 CD GLU A 37 11.623 -12.506 -2.508 1.00 21.13 C ATOM 617 OE1 GLU A 37 11.954 -12.650 -3.703 1.00 63.21 O ATOM 618 OE2 GLU A 37 11.495 -11.384 -1.979 1.00 11.31 O ATOM 0 H GLU A 37 9.787 -13.325 0.532 1.00 34.04 H new ATOM 0 HA GLU A 37 9.081 -12.244 -1.978 1.00 54.04 H new ATOM 0 HB2 GLU A 37 9.788 -15.070 -1.109 1.00 41.44 H new ATOM 0 HB3 GLU A 37 9.712 -14.530 -2.774 1.00 41.44 H new ATOM 0 HG2 GLU A 37 11.617 -13.531 -0.632 1.00 25.13 H new ATOM 0 HG3 GLU A 37 12.022 -14.544 -2.003 1.00 25.13 H new ATOM 625 N GLU A 38 6.927 -14.351 -0.690 1.00 4.22 N ATOM 626 CA GLU A 38 5.562 -14.856 -0.829 1.00 23.11 C ATOM 627 C GLU A 38 4.554 -13.711 -0.817 1.00 71.55 C ATOM 628 O GLU A 38 3.558 -13.736 -1.545 1.00 71.12 O ATOM 629 CB GLU A 38 5.242 -15.846 0.286 1.00 32.33 C ATOM 630 CG GLU A 38 6.067 -17.115 0.236 1.00 30.14 C ATOM 631 CD GLU A 38 5.835 -17.997 1.439 1.00 11.41 C ATOM 632 OE1 GLU A 38 6.419 -17.716 2.495 1.00 11.11 O ATOM 633 OE2 GLU A 38 5.057 -18.972 1.337 1.00 5.10 O ATOM 0 H GLU A 38 7.392 -14.625 0.176 1.00 4.22 H new ATOM 0 HA GLU A 38 5.490 -15.370 -1.788 1.00 23.11 H new ATOM 0 HB2 GLU A 38 5.401 -15.359 1.248 1.00 32.33 H new ATOM 0 HB3 GLU A 38 4.186 -16.109 0.233 1.00 32.33 H new ATOM 0 HG2 GLU A 38 5.823 -17.669 -0.670 1.00 30.14 H new ATOM 0 HG3 GLU A 38 7.124 -16.856 0.176 1.00 30.14 H new ATOM 640 N ALA A 39 4.814 -12.712 0.011 1.00 22.22 N ATOM 641 CA ALA A 39 3.956 -11.544 0.082 1.00 52.33 C ATOM 642 C ALA A 39 4.142 -10.686 -1.161 1.00 1.23 C ATOM 643 O ALA A 39 3.190 -10.100 -1.678 1.00 3.32 O ATOM 644 CB ALA A 39 4.261 -10.737 1.337 1.00 41.12 C ATOM 0 H ALA A 39 5.614 -12.688 0.643 1.00 22.22 H new ATOM 0 HA ALA A 39 2.918 -11.872 0.129 1.00 52.33 H new ATOM 0 HB1 ALA A 39 3.609 -9.864 1.376 1.00 41.12 H new ATOM 0 HB2 ALA A 39 4.091 -11.356 2.218 1.00 41.12 H new ATOM 0 HB3 ALA A 39 5.301 -10.412 1.317 1.00 41.12 H new ATOM 650 N LEU A 40 5.378 -10.641 -1.646 1.00 61.32 N ATOM 651 CA LEU A 40 5.726 -9.869 -2.827 1.00 31.52 C ATOM 652 C LEU A 40 4.985 -10.383 -4.055 1.00 64.41 C ATOM 653 O LEU A 40 4.563 -9.598 -4.912 1.00 13.32 O ATOM 654 CB LEU A 40 7.240 -9.912 -3.055 1.00 15.45 C ATOM 655 CG LEU A 40 7.774 -9.026 -4.180 1.00 62.42 C ATOM 656 CD1 LEU A 40 7.444 -7.567 -3.920 1.00 43.22 C ATOM 657 CD2 LEU A 40 9.271 -9.209 -4.321 1.00 40.25 C ATOM 0 H LEU A 40 6.165 -11.139 -1.230 1.00 61.32 H new ATOM 0 HA LEU A 40 5.423 -8.835 -2.663 1.00 31.52 H new ATOM 0 HB2 LEU A 40 7.735 -9.625 -2.127 1.00 15.45 H new ATOM 0 HB3 LEU A 40 7.527 -10.943 -3.264 1.00 15.45 H new ATOM 0 HG LEU A 40 7.292 -9.324 -5.111 1.00 62.42 H new ATOM 0 HD11 LEU A 40 7.834 -6.955 -4.734 1.00 43.22 H new ATOM 0 HD12 LEU A 40 6.363 -7.444 -3.859 1.00 43.22 H new ATOM 0 HD13 LEU A 40 7.898 -7.253 -2.980 1.00 43.22 H new ATOM 0 HD21 LEU A 40 9.641 -8.573 -5.125 1.00 40.25 H new ATOM 0 HD22 LEU A 40 9.761 -8.934 -3.387 1.00 40.25 H new ATOM 0 HD23 LEU A 40 9.490 -10.251 -4.553 1.00 40.25 H new ATOM 669 N GLU A 41 4.823 -11.702 -4.141 1.00 65.14 N ATOM 670 CA GLU A 41 4.095 -12.307 -5.248 1.00 71.31 C ATOM 671 C GLU A 41 2.656 -11.807 -5.264 1.00 52.44 C ATOM 672 O GLU A 41 2.116 -11.477 -6.321 1.00 5.21 O ATOM 673 CB GLU A 41 4.127 -13.832 -5.161 1.00 24.21 C ATOM 674 CG GLU A 41 5.520 -14.425 -5.273 1.00 54.43 C ATOM 675 CD GLU A 41 5.513 -15.934 -5.284 1.00 64.14 C ATOM 676 OE1 GLU A 41 5.377 -16.541 -4.204 1.00 52.21 O ATOM 677 OE2 GLU A 41 5.628 -16.527 -6.377 1.00 72.22 O ATOM 0 H GLU A 41 5.186 -12.368 -3.459 1.00 65.14 H new ATOM 0 HA GLU A 41 4.583 -12.014 -6.177 1.00 71.31 H new ATOM 0 HB2 GLU A 41 3.686 -14.141 -4.213 1.00 24.21 H new ATOM 0 HB3 GLU A 41 3.502 -14.245 -5.953 1.00 24.21 H new ATOM 0 HG2 GLU A 41 5.993 -14.062 -6.186 1.00 54.43 H new ATOM 0 HG3 GLU A 41 6.127 -14.075 -4.438 1.00 54.43 H new ATOM 684 N LEU A 42 2.052 -11.731 -4.083 1.00 21.50 N ATOM 685 CA LEU A 42 0.691 -11.229 -3.951 1.00 62.34 C ATOM 686 C LEU A 42 0.630 -9.772 -4.384 1.00 60.23 C ATOM 687 O LEU A 42 -0.257 -9.378 -5.136 1.00 42.24 O ATOM 688 CB LEU A 42 0.199 -11.366 -2.508 1.00 50.40 C ATOM 689 CG LEU A 42 0.148 -12.790 -1.951 1.00 74.11 C ATOM 690 CD1 LEU A 42 -0.334 -12.776 -0.511 1.00 35.24 C ATOM 691 CD2 LEU A 42 -0.753 -13.669 -2.807 1.00 62.10 C ATOM 0 H LEU A 42 2.485 -12.011 -3.203 1.00 21.50 H new ATOM 0 HA LEU A 42 0.042 -11.823 -4.594 1.00 62.34 H new ATOM 0 HB2 LEU A 42 0.846 -10.769 -1.866 1.00 50.40 H new ATOM 0 HB3 LEU A 42 -0.800 -10.935 -2.443 1.00 50.40 H new ATOM 0 HG LEU A 42 1.155 -13.207 -1.976 1.00 74.11 H new ATOM 0 HD11 LEU A 42 -0.365 -13.796 -0.128 1.00 35.24 H new ATOM 0 HD12 LEU A 42 0.349 -12.181 0.096 1.00 35.24 H new ATOM 0 HD13 LEU A 42 -1.332 -12.341 -0.466 1.00 35.24 H new ATOM 0 HD21 LEU A 42 -0.776 -14.678 -2.394 1.00 62.10 H new ATOM 0 HD22 LEU A 42 -1.762 -13.257 -2.815 1.00 62.10 H new ATOM 0 HD23 LEU A 42 -0.367 -13.703 -3.826 1.00 62.10 H new ATOM 703 N ILE A 43 1.597 -8.986 -3.911 1.00 14.44 N ATOM 704 CA ILE A 43 1.694 -7.568 -4.256 1.00 44.20 C ATOM 705 C ILE A 43 1.716 -7.383 -5.771 1.00 33.53 C ATOM 706 O ILE A 43 0.906 -6.641 -6.329 1.00 4.30 O ATOM 707 CB ILE A 43 2.970 -6.930 -3.642 1.00 52.20 C ATOM 708 CG1 ILE A 43 2.916 -6.984 -2.110 1.00 64.34 C ATOM 709 CG2 ILE A 43 3.156 -5.493 -4.126 1.00 55.13 C ATOM 710 CD1 ILE A 43 1.770 -6.198 -1.501 1.00 75.34 C ATOM 0 H ILE A 43 2.331 -9.312 -3.282 1.00 14.44 H new ATOM 0 HA ILE A 43 0.817 -7.069 -3.844 1.00 44.20 H new ATOM 0 HB ILE A 43 3.830 -7.509 -3.977 1.00 52.20 H new ATOM 0 HG12 ILE A 43 2.835 -8.025 -1.797 1.00 64.34 H new ATOM 0 HG13 ILE A 43 3.856 -6.603 -1.711 1.00 64.34 H new ATOM 0 HG21 ILE A 43 4.057 -5.072 -3.680 1.00 55.13 H new ATOM 0 HG22 ILE A 43 3.251 -5.484 -5.212 1.00 55.13 H new ATOM 0 HG23 ILE A 43 2.293 -4.896 -3.832 1.00 55.13 H new ATOM 0 HD11 ILE A 43 1.804 -6.288 -0.415 1.00 75.34 H new ATOM 0 HD12 ILE A 43 1.859 -5.148 -1.781 1.00 75.34 H new ATOM 0 HD13 ILE A 43 0.823 -6.592 -1.869 1.00 75.34 H new ATOM 722 N ASN A 44 2.631 -8.084 -6.431 1.00 23.25 N ATOM 723 CA ASN A 44 2.748 -8.015 -7.887 1.00 73.44 C ATOM 724 C ASN A 44 1.480 -8.508 -8.558 1.00 65.40 C ATOM 725 O ASN A 44 1.079 -7.991 -9.600 1.00 0.32 O ATOM 726 CB ASN A 44 3.947 -8.824 -8.386 1.00 30.32 C ATOM 727 CG ASN A 44 5.270 -8.123 -8.163 1.00 32.31 C ATOM 728 OD1 ASN A 44 5.700 -7.322 -8.987 1.00 41.23 O ATOM 729 ND2 ASN A 44 5.930 -8.425 -7.065 1.00 62.21 N ATOM 0 H ASN A 44 3.303 -8.707 -5.983 1.00 23.25 H new ATOM 0 HA ASN A 44 2.902 -6.969 -8.151 1.00 73.44 H new ATOM 0 HB2 ASN A 44 3.964 -9.789 -7.879 1.00 30.32 H new ATOM 0 HB3 ASN A 44 3.824 -9.026 -9.450 1.00 30.32 H new ATOM 0 HD21 ASN A 44 6.832 -7.988 -6.876 1.00 62.21 H new ATOM 0 HD22 ASN A 44 5.540 -9.096 -6.404 1.00 62.21 H new ATOM 736 N GLY A 45 0.850 -9.508 -7.956 1.00 23.14 N ATOM 737 CA GLY A 45 -0.383 -10.042 -8.491 1.00 71.30 C ATOM 738 C GLY A 45 -1.470 -8.995 -8.531 1.00 64.14 C ATOM 739 O GLY A 45 -2.119 -8.802 -9.563 1.00 13.25 O ATOM 0 H GLY A 45 1.175 -9.960 -7.101 1.00 23.14 H new ATOM 0 HA2 GLY A 45 -0.208 -10.425 -9.496 1.00 71.30 H new ATOM 0 HA3 GLY A 45 -0.710 -10.884 -7.881 1.00 71.30 H new ATOM 743 N TYR A 46 -1.651 -8.300 -7.408 1.00 44.50 N ATOM 744 CA TYR A 46 -2.645 -7.239 -7.305 1.00 44.45 C ATOM 745 C TYR A 46 -2.400 -6.185 -8.379 1.00 0.15 C ATOM 746 O TYR A 46 -3.305 -5.832 -9.136 1.00 31.43 O ATOM 747 CB TYR A 46 -2.589 -6.569 -5.922 1.00 43.15 C ATOM 748 CG TYR A 46 -2.738 -7.512 -4.739 1.00 72.14 C ATOM 749 CD1 TYR A 46 -3.508 -8.668 -4.823 1.00 12.41 C ATOM 750 CD2 TYR A 46 -2.105 -7.234 -3.535 1.00 43.33 C ATOM 751 CE1 TYR A 46 -3.642 -9.515 -3.738 1.00 60.42 C ATOM 752 CE2 TYR A 46 -2.236 -8.076 -2.448 1.00 0.31 C ATOM 753 CZ TYR A 46 -3.002 -9.213 -2.554 1.00 32.01 C ATOM 754 OH TYR A 46 -3.137 -10.049 -1.467 1.00 43.24 O ATOM 0 H TYR A 46 -1.117 -8.457 -6.553 1.00 44.50 H new ATOM 0 HA TYR A 46 -3.629 -7.686 -7.444 1.00 44.45 H new ATOM 0 HB2 TYR A 46 -1.639 -6.043 -5.829 1.00 43.15 H new ATOM 0 HB3 TYR A 46 -3.376 -5.817 -5.868 1.00 43.15 H new ATOM 0 HD1 TYR A 46 -4.009 -8.907 -5.750 1.00 12.41 H new ATOM 0 HD2 TYR A 46 -1.500 -6.344 -3.447 1.00 43.33 H new ATOM 0 HE1 TYR A 46 -4.244 -10.408 -3.817 1.00 60.42 H new ATOM 0 HE2 TYR A 46 -1.739 -7.842 -1.518 1.00 0.31 H new ATOM 0 HH TYR A 46 -2.622 -9.692 -0.714 1.00 43.24 H new ATOM 764 N ILE A 47 -1.159 -5.711 -8.444 1.00 52.44 N ATOM 765 CA ILE A 47 -0.756 -4.692 -9.406 1.00 52.12 C ATOM 766 C ILE A 47 -1.065 -5.128 -10.841 1.00 31.55 C ATOM 767 O ILE A 47 -1.670 -4.377 -11.611 1.00 2.23 O ATOM 768 CB ILE A 47 0.759 -4.370 -9.278 1.00 25.11 C ATOM 769 CG1 ILE A 47 1.071 -3.839 -7.873 1.00 1.30 C ATOM 770 CG2 ILE A 47 1.191 -3.361 -10.339 1.00 43.00 C ATOM 771 CD1 ILE A 47 2.544 -3.585 -7.626 1.00 65.31 C ATOM 0 H ILE A 47 -0.405 -6.023 -7.831 1.00 52.44 H new ATOM 0 HA ILE A 47 -1.331 -3.794 -9.180 1.00 52.12 H new ATOM 0 HB ILE A 47 1.321 -5.290 -9.437 1.00 25.11 H new ATOM 0 HG12 ILE A 47 0.521 -2.911 -7.715 1.00 1.30 H new ATOM 0 HG13 ILE A 47 0.707 -4.555 -7.136 1.00 1.30 H new ATOM 0 HG21 ILE A 47 2.255 -3.151 -10.230 1.00 43.00 H new ATOM 0 HG22 ILE A 47 1.002 -3.772 -11.331 1.00 43.00 H new ATOM 0 HG23 ILE A 47 0.625 -2.438 -10.215 1.00 43.00 H new ATOM 0 HD11 ILE A 47 2.684 -3.211 -6.612 1.00 65.31 H new ATOM 0 HD12 ILE A 47 3.099 -4.515 -7.750 1.00 65.31 H new ATOM 0 HD13 ILE A 47 2.910 -2.846 -8.339 1.00 65.31 H new ATOM 783 N GLN A 48 -0.667 -6.350 -11.184 1.00 1.22 N ATOM 784 CA GLN A 48 -0.899 -6.879 -12.527 1.00 64.33 C ATOM 785 C GLN A 48 -2.384 -6.924 -12.860 1.00 51.14 C ATOM 786 O GLN A 48 -2.787 -6.565 -13.967 1.00 2.14 O ATOM 787 CB GLN A 48 -0.279 -8.265 -12.694 1.00 53.31 C ATOM 788 CG GLN A 48 1.238 -8.266 -12.694 1.00 73.42 C ATOM 789 CD GLN A 48 1.818 -9.643 -12.939 1.00 25.22 C ATOM 790 OE1 GLN A 48 2.048 -10.039 -14.082 1.00 23.23 O ATOM 791 NE2 GLN A 48 2.074 -10.378 -11.872 1.00 12.10 N ATOM 0 H GLN A 48 -0.184 -6.991 -10.554 1.00 1.22 H new ATOM 0 HA GLN A 48 -0.413 -6.198 -13.226 1.00 64.33 H new ATOM 0 HB2 GLN A 48 -0.633 -8.909 -11.889 1.00 53.31 H new ATOM 0 HB3 GLN A 48 -0.632 -8.700 -13.629 1.00 53.31 H new ATOM 0 HG2 GLN A 48 1.598 -7.582 -13.462 1.00 73.42 H new ATOM 0 HG3 GLN A 48 1.598 -7.889 -11.737 1.00 73.42 H new ATOM 0 HE21 GLN A 48 1.869 -10.014 -10.941 1.00 12.10 H new ATOM 0 HE22 GLN A 48 2.477 -11.309 -11.979 1.00 12.10 H new ATOM 800 N LYS A 49 -3.202 -7.347 -11.898 1.00 51.42 N ATOM 801 CA LYS A 49 -4.643 -7.423 -12.113 1.00 33.42 C ATOM 802 C LYS A 49 -5.230 -6.047 -12.379 1.00 73.44 C ATOM 803 O LYS A 49 -6.070 -5.880 -13.265 1.00 71.11 O ATOM 804 CB LYS A 49 -5.352 -8.064 -10.920 1.00 41.01 C ATOM 805 CG LYS A 49 -4.992 -9.522 -10.685 1.00 14.44 C ATOM 806 CD LYS A 49 -5.953 -10.179 -9.703 1.00 4.43 C ATOM 807 CE LYS A 49 -7.335 -10.357 -10.319 1.00 72.40 C ATOM 808 NZ LYS A 49 -8.306 -10.942 -9.366 1.00 14.43 N ATOM 0 H LYS A 49 -2.894 -7.640 -10.971 1.00 51.42 H new ATOM 0 HA LYS A 49 -4.803 -8.050 -12.990 1.00 33.42 H new ATOM 0 HB2 LYS A 49 -5.113 -7.494 -10.022 1.00 41.01 H new ATOM 0 HB3 LYS A 49 -6.429 -7.988 -11.069 1.00 41.01 H new ATOM 0 HG2 LYS A 49 -5.012 -10.061 -11.632 1.00 14.44 H new ATOM 0 HG3 LYS A 49 -3.974 -9.590 -10.301 1.00 14.44 H new ATOM 0 HD2 LYS A 49 -5.560 -11.149 -9.399 1.00 4.43 H new ATOM 0 HD3 LYS A 49 -6.029 -9.570 -8.802 1.00 4.43 H new ATOM 0 HE2 LYS A 49 -7.704 -9.391 -10.662 1.00 72.40 H new ATOM 0 HE3 LYS A 49 -7.259 -10.999 -11.196 1.00 72.40 H new ATOM 0 HZ1 LYS A 49 -9.095 -11.369 -9.892 1.00 14.43 H new ATOM 0 HZ2 LYS A 49 -7.835 -11.673 -8.795 1.00 14.43 H new ATOM 0 HZ3 LYS A 49 -8.671 -10.196 -8.740 1.00 14.43 H new ATOM 822 N ILE A 50 -4.778 -5.064 -11.619 1.00 34.31 N ATOM 823 CA ILE A 50 -5.264 -3.701 -11.761 1.00 73.02 C ATOM 824 C ILE A 50 -4.885 -3.123 -13.124 1.00 53.00 C ATOM 825 O ILE A 50 -5.731 -2.575 -13.828 1.00 42.20 O ATOM 826 CB ILE A 50 -4.722 -2.789 -10.635 1.00 22.14 C ATOM 827 CG1 ILE A 50 -5.132 -3.345 -9.269 1.00 3.42 C ATOM 828 CG2 ILE A 50 -5.237 -1.363 -10.807 1.00 23.01 C ATOM 829 CD1 ILE A 50 -4.483 -2.639 -8.101 1.00 4.31 C ATOM 0 H ILE A 50 -4.071 -5.185 -10.893 1.00 34.31 H new ATOM 0 HA ILE A 50 -6.351 -3.736 -11.684 1.00 73.02 H new ATOM 0 HB ILE A 50 -3.634 -2.768 -10.694 1.00 22.14 H new ATOM 0 HG12 ILE A 50 -6.215 -3.273 -9.168 1.00 3.42 H new ATOM 0 HG13 ILE A 50 -4.878 -4.404 -9.228 1.00 3.42 H new ATOM 0 HG21 ILE A 50 -4.846 -0.736 -10.006 1.00 23.01 H new ATOM 0 HG22 ILE A 50 -4.908 -0.971 -11.769 1.00 23.01 H new ATOM 0 HG23 ILE A 50 -6.326 -1.362 -10.769 1.00 23.01 H new ATOM 0 HD11 ILE A 50 -4.823 -3.090 -7.169 1.00 4.31 H new ATOM 0 HD12 ILE A 50 -3.400 -2.733 -8.175 1.00 4.31 H new ATOM 0 HD13 ILE A 50 -4.757 -1.584 -8.115 1.00 4.31 H new ATOM 841 N LYS A 51 -3.621 -3.277 -13.505 1.00 12.21 N ATOM 842 CA LYS A 51 -3.136 -2.747 -14.781 1.00 33.42 C ATOM 843 C LYS A 51 -3.822 -3.423 -15.967 1.00 23.43 C ATOM 844 O LYS A 51 -4.046 -2.799 -17.002 1.00 1.11 O ATOM 845 CB LYS A 51 -1.619 -2.909 -14.902 1.00 74.11 C ATOM 846 CG LYS A 51 -0.829 -2.202 -13.813 1.00 55.53 C ATOM 847 CD LYS A 51 0.650 -2.120 -14.162 1.00 64.11 C ATOM 848 CE LYS A 51 1.270 -3.495 -14.351 1.00 13.44 C ATOM 849 NZ LYS A 51 2.684 -3.408 -14.789 1.00 33.20 N ATOM 0 H LYS A 51 -2.914 -3.762 -12.953 1.00 12.21 H new ATOM 0 HA LYS A 51 -3.382 -1.685 -14.800 1.00 33.42 H new ATOM 0 HB2 LYS A 51 -1.375 -3.971 -14.881 1.00 74.11 H new ATOM 0 HB3 LYS A 51 -1.300 -2.528 -15.872 1.00 74.11 H new ATOM 0 HG2 LYS A 51 -1.226 -1.197 -13.668 1.00 55.53 H new ATOM 0 HG3 LYS A 51 -0.952 -2.733 -12.869 1.00 55.53 H new ATOM 0 HD2 LYS A 51 0.775 -1.538 -15.075 1.00 64.11 H new ATOM 0 HD3 LYS A 51 1.180 -1.590 -13.371 1.00 64.11 H new ATOM 0 HE2 LYS A 51 1.213 -4.051 -13.415 1.00 13.44 H new ATOM 0 HE3 LYS A 51 0.695 -4.054 -15.089 1.00 13.44 H new ATOM 0 HZ1 LYS A 51 3.071 -4.366 -14.907 1.00 33.20 H new ATOM 0 HZ2 LYS A 51 2.736 -2.900 -15.695 1.00 33.20 H new ATOM 0 HZ3 LYS A 51 3.238 -2.897 -14.073 1.00 33.20 H new ATOM 863 N SER A 52 -4.155 -4.690 -15.810 1.00 31.13 N ATOM 864 CA SER A 52 -4.799 -5.441 -16.875 1.00 74.20 C ATOM 865 C SER A 52 -6.278 -5.068 -17.003 1.00 61.24 C ATOM 866 O SER A 52 -6.855 -5.144 -18.086 1.00 32.22 O ATOM 867 CB SER A 52 -4.649 -6.937 -16.625 1.00 13.15 C ATOM 868 OG SER A 52 -3.279 -7.295 -16.511 1.00 43.52 O ATOM 0 H SER A 52 -3.991 -5.222 -14.956 1.00 31.13 H new ATOM 0 HA SER A 52 -4.308 -5.185 -17.814 1.00 74.20 H new ATOM 0 HB2 SER A 52 -5.179 -7.213 -15.713 1.00 13.15 H new ATOM 0 HB3 SER A 52 -5.108 -7.494 -17.441 1.00 13.15 H new ATOM 0 HG SER A 52 -3.030 -7.337 -15.564 1.00 43.52 H new ATOM 874 N GLY A 53 -6.880 -4.653 -15.903 1.00 21.32 N ATOM 875 CA GLY A 53 -8.283 -4.304 -15.924 1.00 42.35 C ATOM 876 C GLY A 53 -9.141 -5.382 -15.310 1.00 45.41 C ATOM 877 O GLY A 53 -10.363 -5.379 -15.457 1.00 74.32 O ATOM 0 H GLY A 53 -6.424 -4.551 -14.996 1.00 21.32 H new ATOM 0 HA2 GLY A 53 -8.433 -3.369 -15.383 1.00 42.35 H new ATOM 0 HA3 GLY A 53 -8.599 -4.131 -16.953 1.00 42.35 H new ATOM 881 N GLU A 54 -8.497 -6.309 -14.621 1.00 12.53 N ATOM 882 CA GLU A 54 -9.195 -7.392 -13.952 1.00 53.52 C ATOM 883 C GLU A 54 -9.959 -6.843 -12.757 1.00 53.34 C ATOM 884 O GLU A 54 -11.134 -7.151 -12.560 1.00 64.02 O ATOM 885 CB GLU A 54 -8.194 -8.452 -13.493 1.00 61.43 C ATOM 886 CG GLU A 54 -7.356 -9.039 -14.619 1.00 0.33 C ATOM 887 CD GLU A 54 -8.157 -9.916 -15.555 1.00 53.34 C ATOM 888 OE1 GLU A 54 -8.766 -9.389 -16.505 1.00 20.44 O ATOM 889 OE2 GLU A 54 -8.174 -11.145 -15.348 1.00 64.52 O ATOM 0 H GLU A 54 -7.483 -6.332 -14.510 1.00 12.53 H new ATOM 0 HA GLU A 54 -9.899 -7.851 -14.646 1.00 53.52 H new ATOM 0 HB2 GLU A 54 -7.529 -8.012 -12.750 1.00 61.43 H new ATOM 0 HB3 GLU A 54 -8.735 -9.258 -12.998 1.00 61.43 H new ATOM 0 HG2 GLU A 54 -6.903 -8.228 -15.189 1.00 0.33 H new ATOM 0 HG3 GLU A 54 -6.541 -9.623 -14.192 1.00 0.33 H new ATOM 896 N GLU A 55 -9.280 -6.013 -11.975 1.00 74.51 N ATOM 897 CA GLU A 55 -9.872 -5.368 -10.810 1.00 25.14 C ATOM 898 C GLU A 55 -9.291 -3.971 -10.643 1.00 13.12 C ATOM 899 O GLU A 55 -8.413 -3.560 -11.411 1.00 74.23 O ATOM 900 CB GLU A 55 -9.616 -6.176 -9.527 1.00 64.11 C ATOM 901 CG GLU A 55 -10.348 -7.502 -9.452 1.00 64.52 C ATOM 902 CD GLU A 55 -10.299 -8.107 -8.065 1.00 13.21 C ATOM 903 OE1 GLU A 55 -11.032 -7.617 -7.171 1.00 5.41 O ATOM 904 OE2 GLU A 55 -9.536 -9.084 -7.861 1.00 64.24 O ATOM 0 H GLU A 55 -8.302 -5.768 -12.131 1.00 74.51 H new ATOM 0 HA GLU A 55 -10.948 -5.311 -10.973 1.00 25.14 H new ATOM 0 HB2 GLU A 55 -8.546 -6.363 -9.440 1.00 64.11 H new ATOM 0 HB3 GLU A 55 -9.905 -5.569 -8.669 1.00 64.11 H new ATOM 0 HG2 GLU A 55 -11.387 -7.358 -9.747 1.00 64.52 H new ATOM 0 HG3 GLU A 55 -9.908 -8.198 -10.166 1.00 64.52 H new ATOM 911 N ASP A 56 -9.780 -3.250 -9.653 1.00 11.05 N ATOM 912 CA ASP A 56 -9.280 -1.918 -9.343 1.00 60.32 C ATOM 913 C ASP A 56 -8.709 -1.919 -7.935 1.00 62.21 C ATOM 914 O ASP A 56 -9.085 -2.759 -7.122 1.00 53.43 O ATOM 915 CB ASP A 56 -10.396 -0.873 -9.472 1.00 72.33 C ATOM 916 CG ASP A 56 -9.914 0.540 -9.202 1.00 43.43 C ATOM 917 OD1 ASP A 56 -9.333 1.162 -10.114 1.00 35.32 O ATOM 918 OD2 ASP A 56 -10.113 1.035 -8.076 1.00 23.32 O ATOM 0 H ASP A 56 -10.532 -3.566 -9.041 1.00 11.05 H new ATOM 0 HA ASP A 56 -8.496 -1.654 -10.053 1.00 60.32 H new ATOM 0 HB2 ASP A 56 -10.819 -0.922 -10.475 1.00 72.33 H new ATOM 0 HB3 ASP A 56 -11.198 -1.117 -8.776 1.00 72.33 H new ATOM 923 N PHE A 57 -7.818 -0.980 -7.641 1.00 43.42 N ATOM 924 CA PHE A 57 -7.144 -0.926 -6.341 1.00 22.34 C ATOM 925 C PHE A 57 -8.138 -0.884 -5.169 1.00 42.33 C ATOM 926 O PHE A 57 -7.802 -1.292 -4.063 1.00 43.24 O ATOM 927 CB PHE A 57 -6.187 0.272 -6.281 1.00 1.14 C ATOM 928 CG PHE A 57 -5.232 0.244 -5.116 1.00 23.31 C ATOM 929 CD1 PHE A 57 -4.229 -0.708 -5.053 1.00 12.13 C ATOM 930 CD2 PHE A 57 -5.334 1.170 -4.090 1.00 42.44 C ATOM 931 CE1 PHE A 57 -3.347 -0.736 -3.991 1.00 11.33 C ATOM 932 CE2 PHE A 57 -4.455 1.145 -3.027 1.00 1.52 C ATOM 933 CZ PHE A 57 -3.461 0.193 -2.978 1.00 11.31 C ATOM 0 H PHE A 57 -7.541 -0.240 -8.286 1.00 43.42 H new ATOM 0 HA PHE A 57 -6.568 -1.846 -6.239 1.00 22.34 H new ATOM 0 HB2 PHE A 57 -5.612 0.310 -7.206 1.00 1.14 H new ATOM 0 HB3 PHE A 57 -6.774 1.189 -6.233 1.00 1.14 H new ATOM 0 HD1 PHE A 57 -4.135 -1.437 -5.844 1.00 12.13 H new ATOM 0 HD2 PHE A 57 -6.111 1.920 -4.123 1.00 42.44 H new ATOM 0 HE1 PHE A 57 -2.569 -1.484 -3.954 1.00 11.33 H new ATOM 0 HE2 PHE A 57 -4.546 1.872 -2.233 1.00 1.52 H new ATOM 0 HZ PHE A 57 -2.771 0.174 -2.147 1.00 11.31 H new ATOM 943 N GLU A 58 -9.361 -0.400 -5.421 1.00 70.24 N ATOM 944 CA GLU A 58 -10.391 -0.332 -4.376 1.00 64.45 C ATOM 945 C GLU A 58 -10.636 -1.695 -3.726 1.00 23.23 C ATOM 946 O GLU A 58 -10.596 -1.816 -2.504 1.00 31.31 O ATOM 947 CB GLU A 58 -11.710 0.220 -4.921 1.00 73.42 C ATOM 948 CG GLU A 58 -11.663 1.687 -5.311 1.00 64.23 C ATOM 949 CD GLU A 58 -13.014 2.211 -5.741 1.00 14.45 C ATOM 950 OE1 GLU A 58 -13.591 1.662 -6.699 1.00 32.44 O ATOM 951 OE2 GLU A 58 -13.502 3.191 -5.140 1.00 13.24 O ATOM 0 H GLU A 58 -9.660 -0.052 -6.332 1.00 70.24 H new ATOM 0 HA GLU A 58 -10.011 0.350 -3.615 1.00 64.45 H new ATOM 0 HB2 GLU A 58 -12.002 -0.366 -5.792 1.00 73.42 H new ATOM 0 HB3 GLU A 58 -12.486 0.081 -4.169 1.00 73.42 H new ATOM 0 HG2 GLU A 58 -11.301 2.273 -4.467 1.00 64.23 H new ATOM 0 HG3 GLU A 58 -10.948 1.822 -6.123 1.00 64.23 H new ATOM 958 N SER A 59 -10.866 -2.722 -4.537 1.00 44.20 N ATOM 959 CA SER A 59 -11.165 -4.044 -4.004 1.00 35.15 C ATOM 960 C SER A 59 -9.931 -4.665 -3.360 1.00 41.54 C ATOM 961 O SER A 59 -10.017 -5.295 -2.298 1.00 14.15 O ATOM 962 CB SER A 59 -11.729 -4.955 -5.102 1.00 61.31 C ATOM 963 OG SER A 59 -10.868 -4.999 -6.228 1.00 34.13 O ATOM 0 H SER A 59 -10.851 -2.665 -5.555 1.00 44.20 H new ATOM 0 HA SER A 59 -11.925 -3.934 -3.230 1.00 35.15 H new ATOM 0 HB2 SER A 59 -11.867 -5.962 -4.707 1.00 61.31 H new ATOM 0 HB3 SER A 59 -12.712 -4.595 -5.407 1.00 61.31 H new ATOM 0 HG SER A 59 -10.889 -5.897 -6.621 1.00 34.13 H new ATOM 969 N LEU A 60 -8.783 -4.466 -3.993 1.00 10.35 N ATOM 970 CA LEU A 60 -7.526 -5.000 -3.491 1.00 63.44 C ATOM 971 C LEU A 60 -7.159 -4.383 -2.143 1.00 30.13 C ATOM 972 O LEU A 60 -6.818 -5.091 -1.203 1.00 73.22 O ATOM 973 CB LEU A 60 -6.383 -4.785 -4.503 1.00 12.33 C ATOM 974 CG LEU A 60 -6.387 -5.679 -5.762 1.00 55.14 C ATOM 975 CD1 LEU A 60 -6.484 -7.145 -5.391 1.00 30.12 C ATOM 976 CD2 LEU A 60 -7.503 -5.298 -6.711 1.00 63.43 C ATOM 0 H LEU A 60 -8.697 -3.935 -4.860 1.00 10.35 H new ATOM 0 HA LEU A 60 -7.665 -6.072 -3.351 1.00 63.44 H new ATOM 0 HB2 LEU A 60 -6.407 -3.744 -4.826 1.00 12.33 H new ATOM 0 HB3 LEU A 60 -5.437 -4.935 -3.983 1.00 12.33 H new ATOM 0 HG LEU A 60 -5.440 -5.517 -6.276 1.00 55.14 H new ATOM 0 HD11 LEU A 60 -6.485 -7.750 -6.297 1.00 30.12 H new ATOM 0 HD12 LEU A 60 -5.631 -7.421 -4.771 1.00 30.12 H new ATOM 0 HD13 LEU A 60 -7.406 -7.320 -4.837 1.00 30.12 H new ATOM 0 HD21 LEU A 60 -7.475 -5.948 -7.585 1.00 63.43 H new ATOM 0 HD22 LEU A 60 -8.463 -5.409 -6.207 1.00 63.43 H new ATOM 0 HD23 LEU A 60 -7.376 -4.262 -7.025 1.00 63.43 H new ATOM 988 N ALA A 61 -7.259 -3.072 -2.045 1.00 74.43 N ATOM 989 CA ALA A 61 -6.900 -2.369 -0.820 1.00 62.20 C ATOM 990 C ALA A 61 -7.927 -2.581 0.291 1.00 41.50 C ATOM 991 O ALA A 61 -7.686 -2.225 1.440 1.00 0.31 O ATOM 992 CB ALA A 61 -6.706 -0.888 -1.092 1.00 54.50 C ATOM 0 H ALA A 61 -7.586 -2.467 -2.798 1.00 74.43 H new ATOM 0 HA ALA A 61 -5.958 -2.791 -0.471 1.00 62.20 H new ATOM 0 HB1 ALA A 61 -6.438 -0.380 -0.166 1.00 54.50 H new ATOM 0 HB2 ALA A 61 -5.909 -0.754 -1.823 1.00 54.50 H new ATOM 0 HB3 ALA A 61 -7.632 -0.466 -1.483 1.00 54.50 H new ATOM 998 N SER A 62 -9.065 -3.165 -0.053 1.00 20.41 N ATOM 999 CA SER A 62 -10.107 -3.413 0.927 1.00 62.43 C ATOM 1000 C SER A 62 -10.120 -4.875 1.386 1.00 12.31 C ATOM 1001 O SER A 62 -10.067 -5.166 2.583 1.00 11.33 O ATOM 1002 CB SER A 62 -11.480 -3.042 0.356 1.00 3.12 C ATOM 1003 OG SER A 62 -11.513 -1.691 -0.068 1.00 64.33 O ATOM 0 H SER A 62 -9.288 -3.474 -0.999 1.00 20.41 H new ATOM 0 HA SER A 62 -9.891 -2.787 1.793 1.00 62.43 H new ATOM 0 HB2 SER A 62 -11.715 -3.695 -0.484 1.00 3.12 H new ATOM 0 HB3 SER A 62 -12.247 -3.207 1.112 1.00 3.12 H new ATOM 0 HG SER A 62 -11.181 -1.629 -0.988 1.00 64.33 H new ATOM 1009 N GLN A 63 -10.165 -5.791 0.432 1.00 61.24 N ATOM 1010 CA GLN A 63 -10.310 -7.206 0.747 1.00 22.44 C ATOM 1011 C GLN A 63 -8.997 -7.981 0.634 1.00 14.21 C ATOM 1012 O GLN A 63 -8.952 -9.179 0.920 1.00 3.12 O ATOM 1013 CB GLN A 63 -11.376 -7.826 -0.157 1.00 33.03 C ATOM 1014 CG GLN A 63 -12.750 -7.191 0.019 1.00 53.43 C ATOM 1015 CD GLN A 63 -13.807 -7.768 -0.907 1.00 40.12 C ATOM 1016 OE1 GLN A 63 -13.404 -8.192 -2.090 1.00 70.14 O flip ATOM 1017 NE2 GLN A 63 -14.988 -7.819 -0.556 1.00 0.24 N flip ATOM 0 H GLN A 63 -10.104 -5.583 -0.565 1.00 61.24 H new ATOM 0 HA GLN A 63 -10.619 -7.276 1.790 1.00 22.44 H new ATOM 0 HB2 GLN A 63 -11.066 -7.725 -1.197 1.00 33.03 H new ATOM 0 HB3 GLN A 63 -11.446 -8.893 0.052 1.00 33.03 H new ATOM 0 HG2 GLN A 63 -13.072 -7.322 1.052 1.00 53.43 H new ATOM 0 HG3 GLN A 63 -12.671 -6.118 -0.157 1.00 53.43 H new ATOM 0 HE21 GLN A 63 -15.261 -7.481 0.367 1.00 0.24 H new ATOM 0 HE22 GLN A 63 -15.692 -8.199 -1.189 1.00 0.24 H new ATOM 1026 N PHE A 64 -7.936 -7.317 0.228 1.00 60.14 N ATOM 1027 CA PHE A 64 -6.641 -7.982 0.080 1.00 25.41 C ATOM 1028 C PHE A 64 -5.544 -7.215 0.813 1.00 60.14 C ATOM 1029 O PHE A 64 -4.357 -7.442 0.586 1.00 32.34 O ATOM 1030 CB PHE A 64 -6.277 -8.131 -1.406 1.00 65.43 C ATOM 1031 CG PHE A 64 -7.208 -9.023 -2.186 1.00 50.35 C ATOM 1032 CD1 PHE A 64 -8.413 -8.540 -2.671 1.00 64.44 C ATOM 1033 CD2 PHE A 64 -6.874 -10.342 -2.435 1.00 73.41 C ATOM 1034 CE1 PHE A 64 -9.263 -9.354 -3.388 1.00 0.20 C ATOM 1035 CE2 PHE A 64 -7.721 -11.163 -3.152 1.00 42.32 C ATOM 1036 CZ PHE A 64 -8.918 -10.668 -3.629 1.00 64.40 C ATOM 0 H PHE A 64 -7.935 -6.324 -0.006 1.00 60.14 H new ATOM 0 HA PHE A 64 -6.722 -8.974 0.524 1.00 25.41 H new ATOM 0 HB2 PHE A 64 -6.268 -7.143 -1.867 1.00 65.43 H new ATOM 0 HB3 PHE A 64 -5.264 -8.527 -1.482 1.00 65.43 H new ATOM 0 HD1 PHE A 64 -8.689 -7.513 -2.485 1.00 64.44 H new ATOM 0 HD2 PHE A 64 -5.939 -10.734 -2.064 1.00 73.41 H new ATOM 0 HE1 PHE A 64 -10.198 -8.964 -3.761 1.00 0.20 H new ATOM 0 HE2 PHE A 64 -7.448 -12.191 -3.339 1.00 42.32 H new ATOM 0 HZ PHE A 64 -9.583 -11.308 -4.190 1.00 64.40 H new ATOM 1046 N SER A 65 -5.948 -6.329 1.709 1.00 14.31 N ATOM 1047 CA SER A 65 -5.000 -5.513 2.439 1.00 22.23 C ATOM 1048 C SER A 65 -5.201 -5.653 3.943 1.00 73.25 C ATOM 1049 O SER A 65 -6.312 -5.907 4.414 1.00 60.54 O ATOM 1050 CB SER A 65 -5.153 -4.047 2.027 1.00 52.22 C ATOM 1051 OG SER A 65 -4.132 -3.236 2.592 1.00 73.40 O ATOM 0 H SER A 65 -6.925 -6.159 1.946 1.00 14.31 H new ATOM 0 HA SER A 65 -3.994 -5.856 2.197 1.00 22.23 H new ATOM 0 HB2 SER A 65 -5.121 -3.969 0.940 1.00 52.22 H new ATOM 0 HB3 SER A 65 -6.129 -3.679 2.345 1.00 52.22 H new ATOM 0 HG SER A 65 -4.437 -2.305 2.630 1.00 73.40 H new ATOM 1057 N ASP A 66 -4.115 -5.503 4.680 1.00 74.32 N ATOM 1058 CA ASP A 66 -4.139 -5.553 6.139 1.00 42.34 C ATOM 1059 C ASP A 66 -4.324 -4.149 6.715 1.00 53.32 C ATOM 1060 O ASP A 66 -4.667 -3.980 7.892 1.00 62.42 O ATOM 1061 CB ASP A 66 -2.836 -6.179 6.657 1.00 23.13 C ATOM 1062 CG ASP A 66 -2.640 -6.001 8.149 1.00 15.34 C ATOM 1063 OD1 ASP A 66 -3.280 -6.724 8.926 1.00 55.30 O ATOM 1064 OD2 ASP A 66 -1.823 -5.134 8.546 1.00 3.43 O ATOM 0 H ASP A 66 -3.187 -5.343 4.287 1.00 74.32 H new ATOM 0 HA ASP A 66 -4.979 -6.168 6.461 1.00 42.34 H new ATOM 0 HB2 ASP A 66 -2.833 -7.243 6.421 1.00 23.13 H new ATOM 0 HB3 ASP A 66 -1.992 -5.733 6.131 1.00 23.13 H new ATOM 1069 N SER A 67 -4.119 -3.147 5.869 1.00 74.42 N ATOM 1070 CA SER A 67 -4.246 -1.756 6.275 1.00 31.11 C ATOM 1071 C SER A 67 -5.618 -1.481 6.885 1.00 53.43 C ATOM 1072 O SER A 67 -6.639 -1.889 6.341 1.00 10.55 O ATOM 1073 CB SER A 67 -4.023 -0.843 5.073 1.00 72.33 C ATOM 1074 OG SER A 67 -2.745 -1.059 4.503 1.00 52.31 O ATOM 0 H SER A 67 -3.862 -3.275 4.890 1.00 74.42 H new ATOM 0 HA SER A 67 -3.490 -1.554 7.033 1.00 31.11 H new ATOM 0 HB2 SER A 67 -4.795 -1.025 4.325 1.00 72.33 H new ATOM 0 HB3 SER A 67 -4.117 0.199 5.380 1.00 72.33 H new ATOM 0 HG SER A 67 -2.815 -1.720 3.783 1.00 52.31 H new ATOM 1080 N SER A 68 -5.628 -0.783 8.010 1.00 12.02 N ATOM 1081 CA SER A 68 -6.865 -0.439 8.700 1.00 51.41 C ATOM 1082 C SER A 68 -7.775 0.402 7.799 1.00 70.14 C ATOM 1083 O SER A 68 -8.998 0.396 7.947 1.00 20.25 O ATOM 1084 CB SER A 68 -6.542 0.325 9.980 1.00 73.11 C ATOM 1085 OG SER A 68 -5.548 -0.353 10.741 1.00 32.02 O ATOM 0 H SER A 68 -4.785 -0.440 8.470 1.00 12.02 H new ATOM 0 HA SER A 68 -7.392 -1.359 8.951 1.00 51.41 H new ATOM 0 HB2 SER A 68 -6.194 1.328 9.731 1.00 73.11 H new ATOM 0 HB3 SER A 68 -7.447 0.440 10.577 1.00 73.11 H new ATOM 0 HG SER A 68 -5.356 0.156 11.556 1.00 32.02 H new ATOM 1091 N SER A 69 -7.167 1.110 6.852 1.00 20.14 N ATOM 1092 CA SER A 69 -7.902 1.946 5.916 1.00 21.43 C ATOM 1093 C SER A 69 -8.740 1.103 4.942 1.00 40.30 C ATOM 1094 O SER A 69 -9.520 1.647 4.169 1.00 30.40 O ATOM 1095 CB SER A 69 -6.929 2.817 5.127 1.00 70.23 C ATOM 1096 OG SER A 69 -5.972 3.417 5.983 1.00 41.42 O ATOM 0 H SER A 69 -6.156 1.119 6.714 1.00 20.14 H new ATOM 0 HA SER A 69 -8.581 2.574 6.493 1.00 21.43 H new ATOM 0 HB2 SER A 69 -6.421 2.212 4.376 1.00 70.23 H new ATOM 0 HB3 SER A 69 -7.480 3.591 4.593 1.00 70.23 H new ATOM 0 HG SER A 69 -5.071 3.245 5.638 1.00 41.42 H new ATOM 1102 N ALA A 70 -8.572 -0.227 4.992 1.00 34.22 N ATOM 1103 CA ALA A 70 -9.290 -1.153 4.100 1.00 11.01 C ATOM 1104 C ALA A 70 -10.800 -0.970 4.195 1.00 41.14 C ATOM 1105 O ALA A 70 -11.528 -1.207 3.230 1.00 42.20 O ATOM 1106 CB ALA A 70 -8.921 -2.592 4.429 1.00 12.35 C ATOM 0 H ALA A 70 -7.940 -0.689 5.646 1.00 34.22 H new ATOM 0 HA ALA A 70 -8.989 -0.925 3.078 1.00 11.01 H new ATOM 0 HB1 ALA A 70 -9.458 -3.267 3.763 1.00 12.35 H new ATOM 0 HB2 ALA A 70 -7.848 -2.731 4.298 1.00 12.35 H new ATOM 0 HB3 ALA A 70 -9.192 -2.810 5.462 1.00 12.35 H new ATOM 1112 N LYS A 71 -11.264 -0.541 5.354 1.00 53.04 N ATOM 1113 CA LYS A 71 -12.684 -0.316 5.573 1.00 74.51 C ATOM 1114 C LYS A 71 -13.165 0.919 4.809 1.00 23.42 C ATOM 1115 O LYS A 71 -14.361 1.099 4.582 1.00 72.53 O ATOM 1116 CB LYS A 71 -12.963 -0.174 7.064 1.00 33.20 C ATOM 1117 CG LYS A 71 -12.594 -1.412 7.864 1.00 2.35 C ATOM 1118 CD LYS A 71 -12.869 -1.226 9.341 1.00 0.13 C ATOM 1119 CE LYS A 71 -12.512 -2.475 10.128 1.00 70.31 C ATOM 1120 NZ LYS A 71 -12.798 -2.320 11.575 1.00 30.23 N ATOM 0 H LYS A 71 -10.676 -0.340 6.163 1.00 53.04 H new ATOM 0 HA LYS A 71 -13.236 -1.176 5.194 1.00 74.51 H new ATOM 0 HB2 LYS A 71 -12.407 0.680 7.451 1.00 33.20 H new ATOM 0 HB3 LYS A 71 -14.021 0.042 7.210 1.00 33.20 H new ATOM 0 HG2 LYS A 71 -13.160 -2.267 7.493 1.00 2.35 H new ATOM 0 HG3 LYS A 71 -11.538 -1.640 7.716 1.00 2.35 H new ATOM 0 HD2 LYS A 71 -12.294 -0.380 9.717 1.00 0.13 H new ATOM 0 HD3 LYS A 71 -13.922 -0.988 9.490 1.00 0.13 H new ATOM 0 HE2 LYS A 71 -13.073 -3.323 9.736 1.00 70.31 H new ATOM 0 HE3 LYS A 71 -11.455 -2.701 9.989 1.00 70.31 H new ATOM 0 HZ1 LYS A 71 -12.540 -3.194 12.075 1.00 30.23 H new ATOM 0 HZ2 LYS A 71 -12.243 -1.527 11.956 1.00 30.23 H new ATOM 0 HZ3 LYS A 71 -13.811 -2.130 11.710 1.00 30.23 H new ATOM 1134 N ALA A 72 -12.220 1.749 4.402 1.00 2.53 N ATOM 1135 CA ALA A 72 -12.507 2.954 3.640 1.00 44.01 C ATOM 1136 C ALA A 72 -11.920 2.833 2.233 1.00 40.21 C ATOM 1137 O ALA A 72 -11.536 3.828 1.619 1.00 52.21 O ATOM 1138 CB ALA A 72 -11.930 4.168 4.353 1.00 4.45 C ATOM 0 H ALA A 72 -11.228 1.606 4.591 1.00 2.53 H new ATOM 0 HA ALA A 72 -13.587 3.077 3.558 1.00 44.01 H new ATOM 0 HB1 ALA A 72 -12.149 5.067 3.776 1.00 4.45 H new ATOM 0 HB2 ALA A 72 -12.377 4.255 5.343 1.00 4.45 H new ATOM 0 HB3 ALA A 72 -10.850 4.054 4.451 1.00 4.45 H new ATOM 1144 N ARG A 73 -11.850 1.586 1.740 1.00 33.22 N ATOM 1145 CA ARG A 73 -11.325 1.271 0.396 1.00 31.32 C ATOM 1146 C ARG A 73 -9.807 1.381 0.325 1.00 61.34 C ATOM 1147 O ARG A 73 -9.222 1.338 -0.753 1.00 2.53 O ATOM 1148 CB ARG A 73 -11.986 2.130 -0.689 1.00 21.10 C ATOM 1149 CG ARG A 73 -13.419 1.735 -0.986 1.00 71.04 C ATOM 1150 CD ARG A 73 -14.050 2.666 -2.000 1.00 75.05 C ATOM 1151 NE ARG A 73 -14.324 3.988 -1.436 1.00 12.44 N ATOM 1152 CZ ARG A 73 -14.623 5.063 -2.160 1.00 44.12 C ATOM 1153 NH1 ARG A 73 -14.576 5.010 -3.488 1.00 11.50 N ATOM 1154 NH2 ARG A 73 -14.938 6.200 -1.555 1.00 23.21 N ATOM 0 H ARG A 73 -12.156 0.764 2.261 1.00 33.22 H new ATOM 0 HA ARG A 73 -11.583 0.230 0.204 1.00 31.32 H new ATOM 0 HB2 ARG A 73 -11.963 3.174 -0.378 1.00 21.10 H new ATOM 0 HB3 ARG A 73 -11.400 2.057 -1.605 1.00 21.10 H new ATOM 0 HG2 ARG A 73 -13.446 0.713 -1.363 1.00 71.04 H new ATOM 0 HG3 ARG A 73 -14.001 1.750 -0.064 1.00 71.04 H new ATOM 0 HD2 ARG A 73 -13.387 2.769 -2.859 1.00 75.05 H new ATOM 0 HD3 ARG A 73 -14.979 2.228 -2.365 1.00 75.05 H new ATOM 0 HE ARG A 73 -14.283 4.092 -0.422 1.00 12.44 H new ATOM 0 HH11 ARG A 73 -14.310 4.143 -3.955 1.00 11.50 H new ATOM 0 HH12 ARG A 73 -14.806 5.836 -4.040 1.00 11.50 H new ATOM 0 HH21 ARG A 73 -14.951 6.249 -0.536 1.00 23.21 H new ATOM 0 HH22 ARG A 73 -15.168 7.026 -2.108 1.00 23.21 H new ATOM 1168 N GLY A 74 -9.179 1.511 1.479 1.00 52.10 N ATOM 1169 CA GLY A 74 -7.734 1.580 1.534 1.00 14.24 C ATOM 1170 C GLY A 74 -7.199 2.980 1.342 1.00 25.32 C ATOM 1171 O GLY A 74 -5.983 3.192 1.332 1.00 62.45 O ATOM 0 H GLY A 74 -9.645 1.570 2.384 1.00 52.10 H new ATOM 0 HA2 GLY A 74 -7.394 1.197 2.496 1.00 14.24 H new ATOM 0 HA3 GLY A 74 -7.316 0.929 0.766 1.00 14.24 H new ATOM 1175 N ASP A 75 -8.092 3.942 1.205 1.00 53.20 N ATOM 1176 CA ASP A 75 -7.684 5.318 0.979 1.00 21.15 C ATOM 1177 C ASP A 75 -7.391 6.029 2.292 1.00 52.04 C ATOM 1178 O ASP A 75 -8.086 5.829 3.288 1.00 74.51 O ATOM 1179 CB ASP A 75 -8.749 6.079 0.193 1.00 3.41 C ATOM 1180 CG ASP A 75 -8.285 7.466 -0.195 1.00 41.42 C ATOM 1181 OD1 ASP A 75 -7.165 7.592 -0.726 1.00 3.25 O ATOM 1182 OD2 ASP A 75 -9.045 8.436 0.016 1.00 45.14 O ATOM 0 H ASP A 75 -9.101 3.798 1.246 1.00 53.20 H new ATOM 0 HA ASP A 75 -6.766 5.296 0.391 1.00 21.15 H new ATOM 0 HB2 ASP A 75 -9.006 5.518 -0.706 1.00 3.41 H new ATOM 0 HB3 ASP A 75 -9.657 6.155 0.792 1.00 3.41 H new ATOM 1187 N LEU A 76 -6.351 6.849 2.289 1.00 21.44 N ATOM 1188 CA LEU A 76 -5.956 7.602 3.477 1.00 25.11 C ATOM 1189 C LEU A 76 -6.579 8.986 3.465 1.00 33.32 C ATOM 1190 O LEU A 76 -6.561 9.698 4.476 1.00 64.13 O ATOM 1191 CB LEU A 76 -4.433 7.732 3.546 1.00 32.21 C ATOM 1192 CG LEU A 76 -3.669 6.449 3.856 1.00 65.44 C ATOM 1193 CD1 LEU A 76 -2.178 6.659 3.651 1.00 23.22 C ATOM 1194 CD2 LEU A 76 -3.948 6.001 5.283 1.00 71.42 C ATOM 0 H LEU A 76 -5.760 7.013 1.474 1.00 21.44 H new ATOM 0 HA LEU A 76 -6.311 7.059 4.353 1.00 25.11 H new ATOM 0 HB2 LEU A 76 -4.077 8.123 2.593 1.00 32.21 H new ATOM 0 HB3 LEU A 76 -4.185 8.473 4.306 1.00 32.21 H new ATOM 0 HG LEU A 76 -4.007 5.669 3.173 1.00 65.44 H new ATOM 0 HD11 LEU A 76 -1.646 5.735 3.876 1.00 23.22 H new ATOM 0 HD12 LEU A 76 -1.990 6.943 2.616 1.00 23.22 H new ATOM 0 HD13 LEU A 76 -1.827 7.450 4.314 1.00 23.22 H new ATOM 0 HD21 LEU A 76 -3.396 5.084 5.491 1.00 71.42 H new ATOM 0 HD22 LEU A 76 -3.632 6.780 5.977 1.00 71.42 H new ATOM 0 HD23 LEU A 76 -5.016 5.818 5.405 1.00 71.42 H new ATOM 1206 N GLY A 77 -7.130 9.359 2.326 1.00 11.02 N ATOM 1207 CA GLY A 77 -7.709 10.665 2.183 1.00 52.31 C ATOM 1208 C GLY A 77 -6.652 11.701 1.905 1.00 2.34 C ATOM 1209 O GLY A 77 -5.515 11.358 1.576 1.00 42.33 O ATOM 0 H GLY A 77 -7.185 8.773 1.493 1.00 11.02 H new ATOM 0 HA2 GLY A 77 -8.436 10.657 1.371 1.00 52.31 H new ATOM 0 HA3 GLY A 77 -8.249 10.928 3.092 1.00 52.31 H new ATOM 1213 N ALA A 78 -7.010 12.956 2.028 1.00 1.32 N ATOM 1214 CA ALA A 78 -6.074 14.027 1.797 1.00 41.31 C ATOM 1215 C ALA A 78 -5.270 14.306 3.051 1.00 35.42 C ATOM 1216 O ALA A 78 -5.798 14.823 4.043 1.00 72.13 O ATOM 1217 CB ALA A 78 -6.798 15.279 1.339 1.00 12.11 C ATOM 0 H ALA A 78 -7.948 13.261 2.288 1.00 1.32 H new ATOM 0 HA ALA A 78 -5.388 13.721 1.008 1.00 41.31 H new ATOM 0 HB1 ALA A 78 -6.074 16.076 1.170 1.00 12.11 H new ATOM 0 HB2 ALA A 78 -7.333 15.072 0.412 1.00 12.11 H new ATOM 0 HB3 ALA A 78 -7.508 15.590 2.106 1.00 12.11 H new ATOM 1223 N PHE A 79 -4.010 13.954 3.020 1.00 74.21 N ATOM 1224 CA PHE A 79 -3.133 14.182 4.141 1.00 10.12 C ATOM 1225 C PHE A 79 -2.036 15.154 3.758 1.00 34.34 C ATOM 1226 O PHE A 79 -1.953 15.587 2.605 1.00 71.01 O ATOM 1227 CB PHE A 79 -2.548 12.856 4.677 1.00 40.44 C ATOM 1228 CG PHE A 79 -1.790 12.034 3.664 1.00 24.20 C ATOM 1229 CD1 PHE A 79 -2.452 11.122 2.857 1.00 24.43 C ATOM 1230 CD2 PHE A 79 -0.414 12.164 3.529 1.00 13.31 C ATOM 1231 CE1 PHE A 79 -1.761 10.359 1.935 1.00 21.41 C ATOM 1232 CE2 PHE A 79 0.281 11.403 2.610 1.00 3.51 C ATOM 1233 CZ PHE A 79 -0.393 10.500 1.812 1.00 22.33 C ATOM 0 H PHE A 79 -3.564 13.503 2.221 1.00 74.21 H new ATOM 0 HA PHE A 79 -3.717 14.624 4.948 1.00 10.12 H new ATOM 0 HB2 PHE A 79 -1.882 13.081 5.510 1.00 40.44 H new ATOM 0 HB3 PHE A 79 -3.363 12.252 5.075 1.00 40.44 H new ATOM 0 HD1 PHE A 79 -3.522 11.006 2.950 1.00 24.43 H new ATOM 0 HD2 PHE A 79 0.119 12.869 4.150 1.00 13.31 H new ATOM 0 HE1 PHE A 79 -2.290 9.653 1.312 1.00 21.41 H new ATOM 0 HE2 PHE A 79 1.351 11.514 2.515 1.00 3.51 H new ATOM 0 HZ PHE A 79 0.149 9.905 1.092 1.00 22.33 H new ATOM 1243 N SER A 80 -1.212 15.503 4.707 1.00 62.02 N ATOM 1244 CA SER A 80 -0.154 16.448 4.467 1.00 52.20 C ATOM 1245 C SER A 80 1.197 15.812 4.782 1.00 74.54 C ATOM 1246 O SER A 80 1.281 14.609 5.034 1.00 31.44 O ATOM 1247 CB SER A 80 -0.379 17.702 5.327 1.00 3.35 C ATOM 1248 OG SER A 80 0.403 18.796 4.868 1.00 43.45 O ATOM 0 H SER A 80 -1.253 15.145 5.661 1.00 62.02 H new ATOM 0 HA SER A 80 -0.158 16.738 3.416 1.00 52.20 H new ATOM 0 HB2 SER A 80 -1.434 17.974 5.306 1.00 3.35 H new ATOM 0 HB3 SER A 80 -0.126 17.483 6.364 1.00 3.35 H new ATOM 0 HG SER A 80 0.203 18.968 3.924 1.00 43.45 H new ATOM 1254 N ARG A 81 2.239 16.618 4.759 1.00 4.22 N ATOM 1255 CA ARG A 81 3.580 16.149 5.060 1.00 51.51 C ATOM 1256 C ARG A 81 3.729 15.902 6.556 1.00 33.53 C ATOM 1257 O ARG A 81 3.076 16.563 7.367 1.00 42.21 O ATOM 1258 CB ARG A 81 4.619 17.171 4.587 1.00 15.01 C ATOM 1259 CG ARG A 81 4.344 18.590 5.060 1.00 62.41 C ATOM 1260 CD ARG A 81 5.448 19.540 4.639 1.00 52.02 C ATOM 1261 NE ARG A 81 5.112 20.933 4.950 1.00 4.01 N ATOM 1262 CZ ARG A 81 6.008 21.890 5.187 1.00 21.13 C ATOM 1263 NH1 ARG A 81 7.304 21.605 5.217 1.00 50.50 N ATOM 1264 NH2 ARG A 81 5.602 23.132 5.411 1.00 14.30 N ATOM 0 H ARG A 81 2.183 17.611 4.533 1.00 4.22 H new ATOM 0 HA ARG A 81 3.747 15.210 4.532 1.00 51.51 H new ATOM 0 HB2 ARG A 81 5.603 16.865 4.941 1.00 15.01 H new ATOM 0 HB3 ARG A 81 4.654 17.162 3.498 1.00 15.01 H new ATOM 0 HG2 ARG A 81 3.393 18.933 4.652 1.00 62.41 H new ATOM 0 HG3 ARG A 81 4.248 18.601 6.146 1.00 62.41 H new ATOM 0 HD2 ARG A 81 6.375 19.268 5.144 1.00 52.02 H new ATOM 0 HD3 ARG A 81 5.627 19.439 3.569 1.00 52.02 H new ATOM 0 HE ARG A 81 4.125 21.187 4.987 1.00 4.01 H new ATOM 0 HH11 ARG A 81 7.620 20.648 5.058 1.00 50.50 H new ATOM 0 HH12 ARG A 81 7.984 22.343 5.399 1.00 50.50 H new ATOM 0 HH21 ARG A 81 4.606 23.353 5.402 1.00 14.30 H new ATOM 0 HH22 ARG A 81 6.285 23.867 5.593 1.00 14.30 H new ATOM 1278 N GLY A 82 4.570 14.946 6.911 1.00 23.51 N ATOM 1279 CA GLY A 82 4.780 14.625 8.305 1.00 5.31 C ATOM 1280 C GLY A 82 3.594 13.894 8.897 1.00 10.44 C ATOM 1281 O GLY A 82 3.243 14.098 10.064 1.00 22.43 O ATOM 0 H GLY A 82 5.113 14.384 6.256 1.00 23.51 H new ATOM 0 HA2 GLY A 82 5.674 14.010 8.406 1.00 5.31 H new ATOM 0 HA3 GLY A 82 4.959 15.542 8.866 1.00 5.31 H new ATOM 1285 N GLN A 83 2.973 13.043 8.095 1.00 11.11 N ATOM 1286 CA GLN A 83 1.800 12.299 8.531 1.00 24.20 C ATOM 1287 C GLN A 83 1.973 10.800 8.308 1.00 32.32 C ATOM 1288 O GLN A 83 1.323 9.986 8.970 1.00 23.44 O ATOM 1289 CB GLN A 83 0.547 12.789 7.793 1.00 61.02 C ATOM 1290 CG GLN A 83 0.190 14.245 8.063 1.00 2.52 C ATOM 1291 CD GLN A 83 -0.101 14.517 9.525 1.00 21.13 C ATOM 1292 OE1 GLN A 83 -0.569 13.640 10.254 1.00 11.34 O ATOM 1293 NE2 GLN A 83 0.165 15.729 9.962 1.00 64.12 N ATOM 0 H GLN A 83 3.262 12.850 7.136 1.00 11.11 H new ATOM 0 HA GLN A 83 1.682 12.475 9.600 1.00 24.20 H new ATOM 0 HB2 GLN A 83 0.695 12.656 6.721 1.00 61.02 H new ATOM 0 HB3 GLN A 83 -0.297 12.161 8.078 1.00 61.02 H new ATOM 0 HG2 GLN A 83 1.012 14.882 7.736 1.00 2.52 H new ATOM 0 HG3 GLN A 83 -0.681 14.517 7.467 1.00 2.52 H new ATOM 0 HE21 GLN A 83 0.552 16.427 9.327 1.00 64.12 H new ATOM 0 HE22 GLN A 83 -0.016 15.971 10.936 1.00 64.12 H new ATOM 1302 N MET A 84 2.848 10.433 7.389 1.00 52.24 N ATOM 1303 CA MET A 84 3.058 9.029 7.062 1.00 62.42 C ATOM 1304 C MET A 84 4.554 8.689 7.044 1.00 74.44 C ATOM 1305 O MET A 84 5.395 9.586 7.029 1.00 62.05 O ATOM 1306 CB MET A 84 2.396 8.717 5.701 1.00 35.32 C ATOM 1307 CG MET A 84 2.574 7.285 5.218 1.00 23.40 C ATOM 1308 SD MET A 84 2.014 6.056 6.417 1.00 20.34 S ATOM 1309 CE MET A 84 0.258 6.409 6.477 1.00 34.51 C ATOM 0 H MET A 84 3.425 11.084 6.856 1.00 52.24 H new ATOM 0 HA MET A 84 2.596 8.408 7.829 1.00 62.42 H new ATOM 0 HB2 MET A 84 1.330 8.931 5.774 1.00 35.32 H new ATOM 0 HB3 MET A 84 2.806 9.392 4.950 1.00 35.32 H new ATOM 0 HG2 MET A 84 2.024 7.151 4.286 1.00 23.40 H new ATOM 0 HG3 MET A 84 3.627 7.112 4.994 1.00 23.40 H new ATOM 0 HE1 MET A 84 -0.303 5.476 6.419 1.00 34.51 H new ATOM 0 HE2 MET A 84 0.021 6.918 7.411 1.00 34.51 H new ATOM 0 HE3 MET A 84 -0.014 7.048 5.637 1.00 34.51 H new ATOM 1319 N GLN A 85 4.874 7.387 7.075 1.00 5.34 N ATOM 1320 CA GLN A 85 6.262 6.919 7.033 1.00 42.40 C ATOM 1321 C GLN A 85 6.995 7.536 5.852 1.00 23.43 C ATOM 1322 O GLN A 85 6.438 7.640 4.761 1.00 21.32 O ATOM 1323 CB GLN A 85 6.313 5.392 6.931 1.00 4.40 C ATOM 1324 CG GLN A 85 5.634 4.671 8.083 1.00 2.01 C ATOM 1325 CD GLN A 85 6.227 5.029 9.429 1.00 0.21 C ATOM 1326 OE1 GLN A 85 5.791 5.977 10.079 1.00 14.55 O ATOM 1327 NE2 GLN A 85 7.223 4.280 9.854 1.00 40.13 N ATOM 0 H GLN A 85 4.184 6.638 7.129 1.00 5.34 H new ATOM 0 HA GLN A 85 6.752 7.228 7.957 1.00 42.40 H new ATOM 0 HB2 GLN A 85 5.843 5.085 5.997 1.00 4.40 H new ATOM 0 HB3 GLN A 85 7.355 5.076 6.882 1.00 4.40 H new ATOM 0 HG2 GLN A 85 4.572 4.915 8.083 1.00 2.01 H new ATOM 0 HG3 GLN A 85 5.714 3.595 7.930 1.00 2.01 H new ATOM 0 HE21 GLN A 85 7.555 3.502 9.284 1.00 40.13 H new ATOM 0 HE22 GLN A 85 7.662 4.478 10.753 1.00 40.13 H new ATOM 1336 N LYS A 86 8.246 7.922 6.074 1.00 12.21 N ATOM 1337 CA LYS A 86 9.049 8.607 5.058 1.00 73.41 C ATOM 1338 C LYS A 86 9.077 7.869 3.694 1.00 13.21 C ATOM 1339 O LYS A 86 8.791 8.486 2.675 1.00 73.15 O ATOM 1340 CB LYS A 86 10.477 8.874 5.565 1.00 53.14 C ATOM 1341 CG LYS A 86 11.308 9.758 4.642 1.00 71.33 C ATOM 1342 CD LYS A 86 10.738 11.166 4.561 1.00 0.02 C ATOM 1343 CE LYS A 86 11.590 12.063 3.680 1.00 32.42 C ATOM 1344 NZ LYS A 86 11.088 13.460 3.655 1.00 23.43 N ATOM 0 H LYS A 86 8.734 7.772 6.957 1.00 12.21 H new ATOM 0 HA LYS A 86 8.555 9.562 4.880 1.00 73.41 H new ATOM 0 HB2 LYS A 86 10.421 9.343 6.547 1.00 53.14 H new ATOM 0 HB3 LYS A 86 10.989 7.921 5.696 1.00 53.14 H new ATOM 0 HG2 LYS A 86 12.335 9.800 5.004 1.00 71.33 H new ATOM 0 HG3 LYS A 86 11.339 9.318 3.645 1.00 71.33 H new ATOM 0 HD2 LYS A 86 9.723 11.126 4.167 1.00 0.02 H new ATOM 0 HD3 LYS A 86 10.675 11.592 5.562 1.00 0.02 H new ATOM 0 HE2 LYS A 86 12.618 12.054 4.041 1.00 32.42 H new ATOM 0 HE3 LYS A 86 11.605 11.665 2.665 1.00 32.42 H new ATOM 0 HZ1 LYS A 86 11.699 14.037 3.042 1.00 23.43 H new ATOM 0 HZ2 LYS A 86 10.116 13.473 3.286 1.00 23.43 H new ATOM 0 HZ3 LYS A 86 11.098 13.850 4.619 1.00 23.43 H new ATOM 1358 N PRO A 87 9.404 6.538 3.647 1.00 53.54 N ATOM 1359 CA PRO A 87 9.461 5.788 2.374 1.00 55.52 C ATOM 1360 C PRO A 87 8.147 5.853 1.589 1.00 62.33 C ATOM 1361 O PRO A 87 8.144 5.782 0.363 1.00 63.12 O ATOM 1362 CB PRO A 87 9.739 4.346 2.817 1.00 31.22 C ATOM 1363 CG PRO A 87 10.387 4.479 4.147 1.00 14.54 C ATOM 1364 CD PRO A 87 9.751 5.671 4.797 1.00 34.33 C ATOM 0 HA PRO A 87 10.214 6.199 1.702 1.00 55.52 H new ATOM 0 HB2 PRO A 87 8.818 3.767 2.881 1.00 31.22 H new ATOM 0 HB3 PRO A 87 10.390 3.833 2.109 1.00 31.22 H new ATOM 0 HG2 PRO A 87 10.237 3.581 4.746 1.00 14.54 H new ATOM 0 HG3 PRO A 87 11.463 4.618 4.045 1.00 14.54 H new ATOM 0 HD2 PRO A 87 8.868 5.393 5.372 1.00 34.33 H new ATOM 0 HD3 PRO A 87 10.436 6.168 5.484 1.00 34.33 H new ATOM 1372 N PHE A 88 7.045 6.002 2.307 1.00 75.11 N ATOM 1373 CA PHE A 88 5.729 6.064 1.690 1.00 15.24 C ATOM 1374 C PHE A 88 5.365 7.512 1.358 1.00 21.45 C ATOM 1375 O PHE A 88 5.007 7.831 0.224 1.00 34.25 O ATOM 1376 CB PHE A 88 4.678 5.458 2.641 1.00 14.32 C ATOM 1377 CG PHE A 88 3.284 5.365 2.062 1.00 44.20 C ATOM 1378 CD1 PHE A 88 2.483 6.495 1.941 1.00 52.23 C ATOM 1379 CD2 PHE A 88 2.777 4.148 1.644 1.00 40.03 C ATOM 1380 CE1 PHE A 88 1.212 6.409 1.415 1.00 14.11 C ATOM 1381 CE2 PHE A 88 1.504 4.058 1.116 1.00 15.32 C ATOM 1382 CZ PHE A 88 0.722 5.192 1.002 1.00 75.33 C ATOM 0 H PHE A 88 7.036 6.083 3.324 1.00 75.11 H new ATOM 0 HA PHE A 88 5.746 5.490 0.764 1.00 15.24 H new ATOM 0 HB2 PHE A 88 5.004 4.459 2.932 1.00 14.32 H new ATOM 0 HB3 PHE A 88 4.640 6.059 3.550 1.00 14.32 H new ATOM 0 HD1 PHE A 88 2.862 7.453 2.264 1.00 52.23 H new ATOM 0 HD2 PHE A 88 3.383 3.258 1.731 1.00 40.03 H new ATOM 0 HE1 PHE A 88 0.602 7.296 1.327 1.00 14.11 H new ATOM 0 HE2 PHE A 88 1.120 3.102 0.792 1.00 15.32 H new ATOM 0 HZ PHE A 88 -0.273 5.122 0.589 1.00 75.33 H new ATOM 1392 N GLU A 89 5.472 8.374 2.355 1.00 1.30 N ATOM 1393 CA GLU A 89 5.108 9.780 2.226 1.00 54.15 C ATOM 1394 C GLU A 89 5.938 10.474 1.153 1.00 45.13 C ATOM 1395 O GLU A 89 5.398 11.135 0.263 1.00 11.31 O ATOM 1396 CB GLU A 89 5.295 10.479 3.567 1.00 51.54 C ATOM 1397 CG GLU A 89 4.852 11.927 3.582 1.00 1.32 C ATOM 1398 CD GLU A 89 5.059 12.565 4.930 1.00 70.05 C ATOM 1399 OE1 GLU A 89 4.271 12.281 5.851 1.00 72.52 O ATOM 1400 OE2 GLU A 89 6.029 13.345 5.088 1.00 25.14 O ATOM 0 H GLU A 89 5.815 8.120 3.281 1.00 1.30 H new ATOM 0 HA GLU A 89 4.062 9.837 1.925 1.00 54.15 H new ATOM 0 HB2 GLU A 89 4.738 9.933 4.329 1.00 51.54 H new ATOM 0 HB3 GLU A 89 6.348 10.430 3.845 1.00 51.54 H new ATOM 0 HG2 GLU A 89 5.408 12.484 2.828 1.00 1.32 H new ATOM 0 HG3 GLU A 89 3.798 11.987 3.310 1.00 1.32 H new ATOM 1407 N ASP A 90 7.248 10.301 1.227 1.00 73.31 N ATOM 1408 CA ASP A 90 8.155 10.931 0.278 1.00 64.43 C ATOM 1409 C ASP A 90 7.909 10.410 -1.128 1.00 1.45 C ATOM 1410 O ASP A 90 8.052 11.141 -2.112 1.00 53.15 O ATOM 1411 CB ASP A 90 9.606 10.697 0.688 1.00 22.42 C ATOM 1412 CG ASP A 90 10.582 11.427 -0.202 1.00 2.04 C ATOM 1413 OD1 ASP A 90 10.588 12.675 -0.178 1.00 1.33 O ATOM 1414 OD2 ASP A 90 11.353 10.761 -0.917 1.00 31.32 O ATOM 0 H ASP A 90 7.708 9.729 1.935 1.00 73.31 H new ATOM 0 HA ASP A 90 7.963 12.004 0.284 1.00 64.43 H new ATOM 0 HB2 ASP A 90 9.746 11.022 1.719 1.00 22.42 H new ATOM 0 HB3 ASP A 90 9.821 9.629 0.659 1.00 22.42 H new ATOM 1419 N ALA A 91 7.516 9.151 -1.220 1.00 21.33 N ATOM 1420 CA ALA A 91 7.208 8.548 -2.500 1.00 3.01 C ATOM 1421 C ALA A 91 5.909 9.116 -3.047 1.00 32.31 C ATOM 1422 O ALA A 91 5.784 9.344 -4.238 1.00 62.21 O ATOM 1423 CB ALA A 91 7.119 7.038 -2.377 1.00 2.44 C ATOM 0 H ALA A 91 7.403 8.528 -0.420 1.00 21.33 H new ATOM 0 HA ALA A 91 8.014 8.783 -3.196 1.00 3.01 H new ATOM 0 HB1 ALA A 91 6.887 6.607 -3.351 1.00 2.44 H new ATOM 0 HB2 ALA A 91 8.072 6.645 -2.024 1.00 2.44 H new ATOM 0 HB3 ALA A 91 6.334 6.776 -1.668 1.00 2.44 H new ATOM 1429 N SER A 92 4.954 9.367 -2.155 1.00 31.30 N ATOM 1430 CA SER A 92 3.664 9.924 -2.536 1.00 33.23 C ATOM 1431 C SER A 92 3.845 11.278 -3.227 1.00 61.13 C ATOM 1432 O SER A 92 3.245 11.540 -4.272 1.00 71.42 O ATOM 1433 CB SER A 92 2.766 10.071 -1.305 1.00 25.34 C ATOM 1434 OG SER A 92 2.601 8.825 -0.647 1.00 73.22 O ATOM 0 H SER A 92 5.054 9.191 -1.155 1.00 31.30 H new ATOM 0 HA SER A 92 3.187 9.241 -3.238 1.00 33.23 H new ATOM 0 HB2 SER A 92 3.201 10.795 -0.617 1.00 25.34 H new ATOM 0 HB3 SER A 92 1.793 10.460 -1.604 1.00 25.34 H new ATOM 0 HG SER A 92 3.454 8.548 -0.252 1.00 73.22 H new ATOM 1440 N PHE A 93 4.694 12.126 -2.653 1.00 51.13 N ATOM 1441 CA PHE A 93 4.970 13.434 -3.235 1.00 25.51 C ATOM 1442 C PHE A 93 5.769 13.300 -4.531 1.00 41.42 C ATOM 1443 O PHE A 93 5.660 14.134 -5.426 1.00 54.01 O ATOM 1444 CB PHE A 93 5.719 14.331 -2.244 1.00 63.32 C ATOM 1445 CG PHE A 93 4.877 14.799 -1.087 1.00 53.53 C ATOM 1446 CD1 PHE A 93 3.953 15.816 -1.256 1.00 62.15 C ATOM 1447 CD2 PHE A 93 5.009 14.223 0.165 1.00 65.41 C ATOM 1448 CE1 PHE A 93 3.177 16.251 -0.198 1.00 35.00 C ATOM 1449 CE2 PHE A 93 4.235 14.655 1.226 1.00 12.42 C ATOM 1450 CZ PHE A 93 3.319 15.669 1.044 1.00 50.33 C ATOM 0 H PHE A 93 5.200 11.931 -1.789 1.00 51.13 H new ATOM 0 HA PHE A 93 4.012 13.899 -3.466 1.00 25.51 H new ATOM 0 HB2 PHE A 93 6.581 13.787 -1.857 1.00 63.32 H new ATOM 0 HB3 PHE A 93 6.104 15.201 -2.776 1.00 63.32 H new ATOM 0 HD1 PHE A 93 3.837 16.275 -2.227 1.00 62.15 H new ATOM 0 HD2 PHE A 93 5.724 13.428 0.314 1.00 65.41 H new ATOM 0 HE1 PHE A 93 2.460 17.046 -0.344 1.00 35.00 H new ATOM 0 HE2 PHE A 93 4.348 14.198 2.198 1.00 12.42 H new ATOM 0 HZ PHE A 93 2.714 16.007 1.872 1.00 50.33 H new ATOM 1460 N ALA A 94 6.555 12.235 -4.628 1.00 2.22 N ATOM 1461 CA ALA A 94 7.369 11.987 -5.813 1.00 41.02 C ATOM 1462 C ALA A 94 6.515 11.472 -6.967 1.00 55.34 C ATOM 1463 O ALA A 94 6.818 11.718 -8.137 1.00 4.34 O ATOM 1464 CB ALA A 94 8.483 11.003 -5.495 1.00 62.45 C ATOM 0 H ALA A 94 6.647 11.527 -3.899 1.00 2.22 H new ATOM 0 HA ALA A 94 7.816 12.933 -6.120 1.00 41.02 H new ATOM 0 HB1 ALA A 94 9.081 10.829 -6.390 1.00 62.45 H new ATOM 0 HB2 ALA A 94 9.117 11.413 -4.709 1.00 62.45 H new ATOM 0 HB3 ALA A 94 8.051 10.061 -5.158 1.00 62.45 H new ATOM 1470 N LEU A 95 5.452 10.753 -6.633 1.00 71.34 N ATOM 1471 CA LEU A 95 4.536 10.219 -7.632 1.00 60.42 C ATOM 1472 C LEU A 95 3.700 11.335 -8.237 1.00 70.44 C ATOM 1473 O LEU A 95 3.683 12.452 -7.730 1.00 25.30 O ATOM 1474 CB LEU A 95 3.606 9.171 -7.009 1.00 55.24 C ATOM 1475 CG LEU A 95 4.281 7.951 -6.384 1.00 64.25 C ATOM 1476 CD1 LEU A 95 3.245 7.052 -5.737 1.00 52.42 C ATOM 1477 CD2 LEU A 95 5.081 7.181 -7.426 1.00 12.35 C ATOM 0 H LEU A 95 5.202 10.525 -5.671 1.00 71.34 H new ATOM 0 HA LEU A 95 5.131 9.748 -8.415 1.00 60.42 H new ATOM 0 HB2 LEU A 95 3.005 9.660 -6.242 1.00 55.24 H new ATOM 0 HB3 LEU A 95 2.918 8.824 -7.779 1.00 55.24 H new ATOM 0 HG LEU A 95 4.972 8.297 -5.615 1.00 64.25 H new ATOM 0 HD11 LEU A 95 3.739 6.187 -5.296 1.00 52.42 H new ATOM 0 HD12 LEU A 95 2.718 7.605 -4.959 1.00 52.42 H new ATOM 0 HD13 LEU A 95 2.532 6.717 -6.491 1.00 52.42 H new ATOM 0 HD21 LEU A 95 5.552 6.317 -6.957 1.00 12.35 H new ATOM 0 HD22 LEU A 95 4.415 6.845 -8.220 1.00 12.35 H new ATOM 0 HD23 LEU A 95 5.849 7.829 -7.847 1.00 12.35 H new ATOM 1489 N ARG A 96 3.014 11.030 -9.311 1.00 14.33 N ATOM 1490 CA ARG A 96 2.163 12.001 -9.974 1.00 61.03 C ATOM 1491 C ARG A 96 0.701 11.716 -9.654 1.00 13.34 C ATOM 1492 O ARG A 96 0.384 10.707 -9.023 1.00 73.32 O ATOM 1493 CB ARG A 96 2.390 11.961 -11.490 1.00 1.41 C ATOM 1494 CG ARG A 96 2.174 10.587 -12.099 1.00 22.33 C ATOM 1495 CD ARG A 96 2.404 10.585 -13.597 1.00 72.13 C ATOM 1496 NE ARG A 96 2.318 9.233 -14.152 1.00 72.24 N ATOM 1497 CZ ARG A 96 1.741 8.923 -15.318 1.00 62.12 C ATOM 1498 NH1 ARG A 96 1.178 9.870 -16.062 1.00 23.20 N ATOM 1499 NH2 ARG A 96 1.730 7.664 -15.735 1.00 2.30 N ATOM 0 H ARG A 96 3.026 10.110 -9.752 1.00 14.33 H new ATOM 0 HA ARG A 96 2.417 12.997 -9.611 1.00 61.03 H new ATOM 0 HB2 ARG A 96 1.717 12.672 -11.969 1.00 1.41 H new ATOM 0 HB3 ARG A 96 3.407 12.290 -11.706 1.00 1.41 H new ATOM 0 HG2 ARG A 96 2.849 9.872 -11.628 1.00 22.33 H new ATOM 0 HG3 ARG A 96 1.158 10.253 -11.888 1.00 22.33 H new ATOM 0 HD2 ARG A 96 1.666 11.225 -14.080 1.00 72.13 H new ATOM 0 HD3 ARG A 96 3.385 11.007 -13.816 1.00 72.13 H new ATOM 0 HE ARG A 96 2.728 8.472 -13.610 1.00 72.24 H new ATOM 0 HH11 ARG A 96 1.185 10.839 -15.744 1.00 23.20 H new ATOM 0 HH12 ARG A 96 0.740 9.627 -16.950 1.00 23.20 H new ATOM 0 HH21 ARG A 96 2.161 6.935 -15.167 1.00 2.30 H new ATOM 0 HH22 ARG A 96 1.291 7.425 -16.624 1.00 2.30 H new ATOM 1513 N THR A 97 -0.177 12.601 -10.084 1.00 45.14 N ATOM 1514 CA THR A 97 -1.599 12.421 -9.875 1.00 51.34 C ATOM 1515 C THR A 97 -2.108 11.265 -10.734 1.00 21.34 C ATOM 1516 O THR A 97 -2.049 11.320 -11.965 1.00 10.40 O ATOM 1517 CB THR A 97 -2.368 13.713 -10.215 1.00 25.34 C ATOM 1518 OG1 THR A 97 -1.882 14.782 -9.392 1.00 0.54 O ATOM 1519 CG2 THR A 97 -3.861 13.539 -9.984 1.00 50.13 C ATOM 0 H THR A 97 0.072 13.455 -10.582 1.00 45.14 H new ATOM 0 HA THR A 97 -1.769 12.188 -8.824 1.00 51.34 H new ATOM 0 HB THR A 97 -2.208 13.943 -11.268 1.00 25.34 H new ATOM 0 HG1 THR A 97 -1.856 14.489 -8.457 1.00 0.54 H new ATOM 0 HG21 THR A 97 -4.378 14.466 -10.232 1.00 50.13 H new ATOM 0 HG22 THR A 97 -4.236 12.734 -10.616 1.00 50.13 H new ATOM 0 HG23 THR A 97 -4.041 13.292 -8.938 1.00 50.13 H new ATOM 1527 N GLY A 98 -2.582 10.222 -10.083 1.00 3.45 N ATOM 1528 CA GLY A 98 -3.044 9.057 -10.796 1.00 14.21 C ATOM 1529 C GLY A 98 -1.903 8.110 -11.076 1.00 51.15 C ATOM 1530 O GLY A 98 -1.750 7.617 -12.196 1.00 41.33 O ATOM 0 H GLY A 98 -2.656 10.161 -9.068 1.00 3.45 H new ATOM 0 HA2 GLY A 98 -3.810 8.547 -10.211 1.00 14.21 H new ATOM 0 HA3 GLY A 98 -3.509 9.360 -11.734 1.00 14.21 H new ATOM 1534 N GLU A 99 -1.090 7.867 -10.062 1.00 63.15 N ATOM 1535 CA GLU A 99 0.060 6.993 -10.196 1.00 14.25 C ATOM 1536 C GLU A 99 0.025 5.892 -9.149 1.00 65.25 C ATOM 1537 O GLU A 99 -0.173 6.159 -7.960 1.00 2.54 O ATOM 1538 CB GLU A 99 1.350 7.799 -10.051 1.00 52.42 C ATOM 1539 CG GLU A 99 2.615 7.003 -10.320 1.00 3.30 C ATOM 1540 CD GLU A 99 2.737 6.580 -11.766 1.00 33.44 C ATOM 1541 OE1 GLU A 99 2.225 5.501 -12.123 1.00 31.51 O ATOM 1542 OE2 GLU A 99 3.351 7.325 -12.554 1.00 63.33 O ATOM 0 H GLU A 99 -1.208 8.267 -9.131 1.00 63.15 H new ATOM 0 HA GLU A 99 0.028 6.535 -11.185 1.00 14.25 H new ATOM 0 HB2 GLU A 99 1.315 8.646 -10.736 1.00 52.42 H new ATOM 0 HB3 GLU A 99 1.399 8.207 -9.041 1.00 52.42 H new ATOM 0 HG2 GLU A 99 3.483 7.603 -10.046 1.00 3.30 H new ATOM 0 HG3 GLU A 99 2.626 6.118 -9.684 1.00 3.30 H new ATOM 1549 N MET A 100 0.213 4.668 -9.590 1.00 21.21 N ATOM 1550 CA MET A 100 0.235 3.533 -8.697 1.00 14.35 C ATOM 1551 C MET A 100 1.651 2.990 -8.591 1.00 41.41 C ATOM 1552 O MET A 100 2.179 2.403 -9.540 1.00 52.15 O ATOM 1553 CB MET A 100 -0.727 2.446 -9.184 1.00 32.42 C ATOM 1554 CG MET A 100 -0.874 1.273 -8.224 1.00 71.00 C ATOM 1555 SD MET A 100 -2.157 0.112 -8.739 1.00 71.34 S ATOM 1556 CE MET A 100 -1.531 -0.398 -10.338 1.00 2.43 C ATOM 0 H MET A 100 0.354 4.433 -10.572 1.00 21.21 H new ATOM 0 HA MET A 100 -0.093 3.854 -7.708 1.00 14.35 H new ATOM 0 HB2 MET A 100 -1.708 2.891 -9.350 1.00 32.42 H new ATOM 0 HB3 MET A 100 -0.379 2.072 -10.147 1.00 32.42 H new ATOM 0 HG2 MET A 100 0.078 0.747 -8.150 1.00 71.00 H new ATOM 0 HG3 MET A 100 -1.108 1.650 -7.229 1.00 71.00 H new ATOM 0 HE1 MET A 100 -1.743 -1.456 -10.491 1.00 2.43 H new ATOM 0 HE2 MET A 100 -2.015 0.186 -11.121 1.00 2.43 H new ATOM 0 HE3 MET A 100 -0.454 -0.234 -10.376 1.00 2.43 H new ATOM 1566 N SER A 101 2.264 3.210 -7.448 1.00 43.20 N ATOM 1567 CA SER A 101 3.621 2.772 -7.201 1.00 45.14 C ATOM 1568 C SER A 101 3.671 1.267 -7.007 1.00 30.51 C ATOM 1569 O SER A 101 2.674 0.644 -6.630 1.00 10.34 O ATOM 1570 CB SER A 101 4.180 3.481 -5.964 1.00 62.03 C ATOM 1571 OG SER A 101 5.510 3.076 -5.687 1.00 55.30 O ATOM 0 H SER A 101 1.835 3.699 -6.662 1.00 43.20 H new ATOM 0 HA SER A 101 4.232 3.027 -8.067 1.00 45.14 H new ATOM 0 HB2 SER A 101 4.152 4.560 -6.118 1.00 62.03 H new ATOM 0 HB3 SER A 101 3.547 3.266 -5.103 1.00 62.03 H new ATOM 0 HG SER A 101 5.837 3.548 -4.893 1.00 55.30 H new ATOM 1577 N GLY A 102 4.832 0.693 -7.265 1.00 53.24 N ATOM 1578 CA GLY A 102 5.008 -0.722 -7.105 1.00 1.53 C ATOM 1579 C GLY A 102 5.293 -1.105 -5.668 1.00 21.15 C ATOM 1580 O GLY A 102 4.921 -0.376 -4.741 1.00 2.22 O ATOM 0 H GLY A 102 5.661 1.193 -7.586 1.00 53.24 H new ATOM 0 HA2 GLY A 102 4.111 -1.239 -7.446 1.00 1.53 H new ATOM 0 HA3 GLY A 102 5.829 -1.058 -7.738 1.00 1.53 H new ATOM 1584 N PRO A 103 5.966 -2.238 -5.451 1.00 4.33 N ATOM 1585 CA PRO A 103 6.278 -2.737 -4.111 1.00 12.11 C ATOM 1586 C PRO A 103 7.244 -1.831 -3.344 1.00 64.13 C ATOM 1587 O PRO A 103 8.445 -1.799 -3.627 1.00 13.42 O ATOM 1588 CB PRO A 103 6.935 -4.104 -4.375 1.00 33.10 C ATOM 1589 CG PRO A 103 6.592 -4.437 -5.788 1.00 71.44 C ATOM 1590 CD PRO A 103 6.480 -3.127 -6.498 1.00 24.10 C ATOM 0 HA PRO A 103 5.383 -2.785 -3.490 1.00 12.11 H new ATOM 0 HB2 PRO A 103 8.015 -4.056 -4.233 1.00 33.10 H new ATOM 0 HB3 PRO A 103 6.557 -4.862 -3.689 1.00 33.10 H new ATOM 0 HG2 PRO A 103 7.361 -5.063 -6.240 1.00 71.44 H new ATOM 0 HG3 PRO A 103 5.656 -4.993 -5.843 1.00 71.44 H new ATOM 0 HD2 PRO A 103 7.444 -2.789 -6.879 1.00 24.10 H new ATOM 0 HD3 PRO A 103 5.802 -3.184 -7.350 1.00 24.10 H new ATOM 1598 N VAL A 104 6.709 -1.084 -2.392 1.00 1.35 N ATOM 1599 CA VAL A 104 7.516 -0.225 -1.544 1.00 14.14 C ATOM 1600 C VAL A 104 7.719 -0.888 -0.186 1.00 24.05 C ATOM 1601 O VAL A 104 6.758 -1.138 0.540 1.00 0.33 O ATOM 1602 CB VAL A 104 6.858 1.164 -1.349 1.00 1.12 C ATOM 1603 CG1 VAL A 104 7.710 2.049 -0.448 1.00 32.12 C ATOM 1604 CG2 VAL A 104 6.630 1.837 -2.694 1.00 51.20 C ATOM 0 H VAL A 104 5.710 -1.056 -2.187 1.00 1.35 H new ATOM 0 HA VAL A 104 8.478 -0.078 -2.035 1.00 14.14 H new ATOM 0 HB VAL A 104 5.893 1.017 -0.864 1.00 1.12 H new ATOM 0 HG11 VAL A 104 7.226 3.018 -0.327 1.00 32.12 H new ATOM 0 HG12 VAL A 104 7.822 1.575 0.527 1.00 32.12 H new ATOM 0 HG13 VAL A 104 8.693 2.188 -0.899 1.00 32.12 H new ATOM 0 HG21 VAL A 104 6.167 2.812 -2.539 1.00 51.20 H new ATOM 0 HG22 VAL A 104 7.585 1.966 -3.203 1.00 51.20 H new ATOM 0 HG23 VAL A 104 5.974 1.217 -3.305 1.00 51.20 H new ATOM 1614 N PHE A 105 8.957 -1.177 0.147 1.00 72.23 N ATOM 1615 CA PHE A 105 9.269 -1.850 1.397 1.00 14.52 C ATOM 1616 C PHE A 105 9.291 -0.862 2.559 1.00 10.31 C ATOM 1617 O PHE A 105 10.004 0.140 2.523 1.00 4.04 O ATOM 1618 CB PHE A 105 10.608 -2.582 1.288 1.00 71.34 C ATOM 1619 CG PHE A 105 10.646 -3.592 0.173 1.00 43.20 C ATOM 1620 CD1 PHE A 105 10.026 -4.821 0.314 1.00 11.21 C ATOM 1621 CD2 PHE A 105 11.299 -3.308 -1.016 1.00 61.01 C ATOM 1622 CE1 PHE A 105 10.054 -5.749 -0.709 1.00 65.24 C ATOM 1623 CE2 PHE A 105 11.333 -4.232 -2.042 1.00 55.54 C ATOM 1624 CZ PHE A 105 10.709 -5.455 -1.889 1.00 45.31 C ATOM 0 H PHE A 105 9.769 -0.958 -0.429 1.00 72.23 H new ATOM 0 HA PHE A 105 8.487 -2.583 1.593 1.00 14.52 H new ATOM 0 HB2 PHE A 105 11.402 -1.851 1.134 1.00 71.34 H new ATOM 0 HB3 PHE A 105 10.817 -3.085 2.232 1.00 71.34 H new ATOM 0 HD1 PHE A 105 9.514 -5.058 1.235 1.00 11.21 H new ATOM 0 HD2 PHE A 105 11.787 -2.353 -1.142 1.00 61.01 H new ATOM 0 HE1 PHE A 105 9.564 -6.704 -0.586 1.00 65.24 H new ATOM 0 HE2 PHE A 105 11.847 -3.999 -2.963 1.00 55.54 H new ATOM 0 HZ PHE A 105 10.733 -6.179 -2.690 1.00 45.31 H new ATOM 1634 N THR A 106 8.494 -1.138 3.573 1.00 43.15 N ATOM 1635 CA THR A 106 8.411 -0.278 4.739 1.00 20.43 C ATOM 1636 C THR A 106 8.441 -1.133 6.028 1.00 4.31 C ATOM 1637 O THR A 106 8.634 -2.351 5.961 1.00 72.14 O ATOM 1638 CB THR A 106 7.118 0.572 4.688 1.00 44.41 C ATOM 1639 OG1 THR A 106 6.738 0.773 3.318 1.00 0.22 O ATOM 1640 CG2 THR A 106 7.333 1.938 5.337 1.00 52.43 C ATOM 0 H THR A 106 7.889 -1.959 3.613 1.00 43.15 H new ATOM 0 HA THR A 106 9.268 0.396 4.743 1.00 20.43 H new ATOM 0 HB THR A 106 6.338 0.040 5.232 1.00 44.41 H new ATOM 0 HG1 THR A 106 5.919 1.309 3.281 1.00 0.22 H new ATOM 0 HG21 THR A 106 6.409 2.514 5.287 1.00 52.43 H new ATOM 0 HG22 THR A 106 7.621 1.804 6.380 1.00 52.43 H new ATOM 0 HG23 THR A 106 8.122 2.472 4.808 1.00 52.43 H new ATOM 1648 N ASP A 107 8.241 -0.482 7.179 1.00 24.24 N ATOM 1649 CA ASP A 107 8.283 -1.130 8.505 1.00 14.04 C ATOM 1650 C ASP A 107 7.430 -2.395 8.570 1.00 41.21 C ATOM 1651 O ASP A 107 7.937 -3.489 8.811 1.00 54.43 O ATOM 1652 CB ASP A 107 7.797 -0.154 9.583 1.00 40.34 C ATOM 1653 CG ASP A 107 8.570 1.141 9.605 1.00 72.45 C ATOM 1654 OD1 ASP A 107 8.311 2.007 8.744 1.00 61.34 O ATOM 1655 OD2 ASP A 107 9.438 1.310 10.491 1.00 12.21 O ATOM 0 H ASP A 107 8.043 0.518 7.222 1.00 24.24 H new ATOM 0 HA ASP A 107 9.321 -1.414 8.680 1.00 14.04 H new ATOM 0 HB2 ASP A 107 6.742 0.063 9.418 1.00 40.34 H new ATOM 0 HB3 ASP A 107 7.875 -0.633 10.559 1.00 40.34 H new ATOM 1660 N SER A 108 6.137 -2.235 8.366 1.00 74.45 N ATOM 1661 CA SER A 108 5.198 -3.346 8.455 1.00 53.12 C ATOM 1662 C SER A 108 5.442 -4.406 7.377 1.00 72.43 C ATOM 1663 O SER A 108 5.317 -5.609 7.635 1.00 22.15 O ATOM 1664 CB SER A 108 3.773 -2.814 8.375 1.00 1.10 C ATOM 1665 OG SER A 108 3.664 -1.805 7.381 1.00 74.50 O ATOM 0 H SER A 108 5.706 -1.340 8.135 1.00 74.45 H new ATOM 0 HA SER A 108 5.353 -3.839 9.415 1.00 53.12 H new ATOM 0 HB2 SER A 108 3.088 -3.631 8.147 1.00 1.10 H new ATOM 0 HB3 SER A 108 3.476 -2.410 9.343 1.00 1.10 H new ATOM 0 HG SER A 108 2.740 -1.479 7.346 1.00 74.50 H new ATOM 1671 N GLY A 109 5.806 -3.964 6.187 1.00 42.12 N ATOM 1672 CA GLY A 109 6.027 -4.882 5.099 1.00 3.44 C ATOM 1673 C GLY A 109 6.029 -4.186 3.766 1.00 72.30 C ATOM 1674 O GLY A 109 6.562 -3.085 3.639 1.00 12.04 O ATOM 0 H GLY A 109 5.952 -2.981 5.956 1.00 42.12 H new ATOM 0 HA2 GLY A 109 6.979 -5.392 5.243 1.00 3.44 H new ATOM 0 HA3 GLY A 109 5.251 -5.647 5.107 1.00 3.44 H new ATOM 1678 N ILE A 110 5.417 -4.807 2.779 1.00 43.12 N ATOM 1679 CA ILE A 110 5.369 -4.247 1.441 1.00 11.23 C ATOM 1680 C ILE A 110 4.119 -3.390 1.275 1.00 22.02 C ATOM 1681 O ILE A 110 3.012 -3.821 1.599 1.00 64.31 O ATOM 1682 CB ILE A 110 5.386 -5.356 0.372 1.00 71.04 C ATOM 1683 CG1 ILE A 110 6.522 -6.343 0.662 1.00 5.25 C ATOM 1684 CG2 ILE A 110 5.553 -4.744 -1.014 1.00 65.14 C ATOM 1685 CD1 ILE A 110 6.532 -7.551 -0.243 1.00 33.02 C ATOM 0 H ILE A 110 4.943 -5.705 2.878 1.00 43.12 H new ATOM 0 HA ILE A 110 6.255 -3.626 1.305 1.00 11.23 H new ATOM 0 HB ILE A 110 4.439 -5.895 0.401 1.00 71.04 H new ATOM 0 HG12 ILE A 110 7.475 -5.822 0.567 1.00 5.25 H new ATOM 0 HG13 ILE A 110 6.444 -6.677 1.696 1.00 5.25 H new ATOM 0 HG21 ILE A 110 5.564 -5.536 -1.763 1.00 65.14 H new ATOM 0 HG22 ILE A 110 4.723 -4.066 -1.215 1.00 65.14 H new ATOM 0 HG23 ILE A 110 6.492 -4.191 -1.057 1.00 65.14 H new ATOM 0 HD11 ILE A 110 7.365 -8.200 0.026 1.00 33.02 H new ATOM 0 HD12 ILE A 110 5.595 -8.097 -0.131 1.00 33.02 H new ATOM 0 HD13 ILE A 110 6.643 -7.229 -1.278 1.00 33.02 H new ATOM 1697 N HIS A 111 4.308 -2.172 0.797 1.00 13.20 N ATOM 1698 CA HIS A 111 3.216 -1.224 0.637 1.00 70.04 C ATOM 1699 C HIS A 111 3.015 -0.867 -0.826 1.00 12.25 C ATOM 1700 O HIS A 111 3.977 -0.778 -1.588 1.00 72.35 O ATOM 1701 CB HIS A 111 3.506 0.078 1.413 1.00 1.25 C ATOM 1702 CG HIS A 111 3.615 -0.072 2.903 1.00 31.52 C ATOM 1703 ND1 HIS A 111 3.183 0.891 3.786 1.00 1.24 N ATOM 1704 CD2 HIS A 111 4.136 -1.058 3.663 1.00 12.54 C ATOM 1705 CE1 HIS A 111 3.436 0.500 5.018 1.00 4.41 C ATOM 1706 NE2 HIS A 111 4.010 -0.677 4.974 1.00 63.53 N ATOM 0 H HIS A 111 5.218 -1.812 0.510 1.00 13.20 H new ATOM 0 HA HIS A 111 2.317 -1.700 1.028 1.00 70.04 H new ATOM 0 HB2 HIS A 111 4.437 0.505 1.039 1.00 1.25 H new ATOM 0 HB3 HIS A 111 2.715 0.796 1.194 1.00 1.25 H new ATOM 0 HD2 HIS A 111 4.572 -1.979 3.304 1.00 12.54 H new ATOM 0 HE1 HIS A 111 3.208 1.057 5.915 1.00 4.41 H new ATOM 0 HE2 HIS A 111 4.313 -1.220 5.782 1.00 63.53 H new ATOM 1715 N ILE A 112 1.770 -0.681 -1.209 1.00 1.41 N ATOM 1716 CA ILE A 112 1.438 -0.196 -2.539 1.00 40.21 C ATOM 1717 C ILE A 112 0.883 1.215 -2.404 1.00 5.34 C ATOM 1718 O ILE A 112 -0.048 1.445 -1.625 1.00 2.50 O ATOM 1719 CB ILE A 112 0.394 -1.093 -3.250 1.00 55.45 C ATOM 1720 CG1 ILE A 112 0.873 -2.549 -3.294 1.00 10.13 C ATOM 1721 CG2 ILE A 112 0.131 -0.577 -4.665 1.00 75.21 C ATOM 1722 CD1 ILE A 112 -0.104 -3.496 -3.965 1.00 21.31 C ATOM 0 H ILE A 112 0.961 -0.859 -0.614 1.00 1.41 H new ATOM 0 HA ILE A 112 2.343 -0.212 -3.147 1.00 40.21 H new ATOM 0 HB ILE A 112 -0.537 -1.055 -2.684 1.00 55.45 H new ATOM 0 HG12 ILE A 112 1.826 -2.592 -3.821 1.00 10.13 H new ATOM 0 HG13 ILE A 112 1.056 -2.892 -2.276 1.00 10.13 H new ATOM 0 HG21 ILE A 112 -0.604 -1.216 -5.154 1.00 75.21 H new ATOM 0 HG22 ILE A 112 -0.250 0.443 -4.615 1.00 75.21 H new ATOM 0 HG23 ILE A 112 1.060 -0.590 -5.235 1.00 75.21 H new ATOM 0 HD11 ILE A 112 0.305 -4.506 -3.957 1.00 21.31 H new ATOM 0 HD12 ILE A 112 -1.051 -3.484 -3.426 1.00 21.31 H new ATOM 0 HD13 ILE A 112 -0.269 -3.179 -4.995 1.00 21.31 H new ATOM 1734 N ILE A 113 1.460 2.156 -3.131 1.00 31.44 N ATOM 1735 CA ILE A 113 1.060 3.555 -3.017 1.00 65.32 C ATOM 1736 C ILE A 113 0.290 4.011 -4.246 1.00 25.13 C ATOM 1737 O ILE A 113 0.828 4.034 -5.348 1.00 41.42 O ATOM 1738 CB ILE A 113 2.290 4.477 -2.851 1.00 4.24 C ATOM 1739 CG1 ILE A 113 3.253 3.907 -1.807 1.00 10.45 C ATOM 1740 CG2 ILE A 113 1.846 5.885 -2.459 1.00 55.32 C ATOM 1741 CD1 ILE A 113 4.517 4.718 -1.634 1.00 71.44 C ATOM 0 H ILE A 113 2.205 1.982 -3.806 1.00 31.44 H new ATOM 0 HA ILE A 113 0.423 3.625 -2.135 1.00 65.32 H new ATOM 0 HB ILE A 113 2.814 4.531 -3.805 1.00 4.24 H new ATOM 0 HG12 ILE A 113 2.739 3.845 -0.848 1.00 10.45 H new ATOM 0 HG13 ILE A 113 3.522 2.890 -2.091 1.00 10.45 H new ATOM 0 HG21 ILE A 113 2.722 6.524 -2.345 1.00 55.32 H new ATOM 0 HG22 ILE A 113 1.198 6.292 -3.236 1.00 55.32 H new ATOM 0 HG23 ILE A 113 1.301 5.845 -1.516 1.00 55.32 H new ATOM 0 HD11 ILE A 113 5.148 4.251 -0.878 1.00 71.44 H new ATOM 0 HD12 ILE A 113 5.055 4.759 -2.581 1.00 71.44 H new ATOM 0 HD13 ILE A 113 4.260 5.729 -1.318 1.00 71.44 H new ATOM 1753 N LEU A 114 -0.961 4.370 -4.057 1.00 22.50 N ATOM 1754 CA LEU A 114 -1.765 4.882 -5.148 1.00 50.24 C ATOM 1755 C LEU A 114 -2.103 6.340 -4.904 1.00 74.32 C ATOM 1756 O LEU A 114 -2.987 6.653 -4.105 1.00 41.34 O ATOM 1757 CB LEU A 114 -3.054 4.074 -5.317 1.00 42.21 C ATOM 1758 CG LEU A 114 -4.029 4.606 -6.378 1.00 22.25 C ATOM 1759 CD1 LEU A 114 -3.436 4.490 -7.771 1.00 1.14 C ATOM 1760 CD2 LEU A 114 -5.361 3.883 -6.302 1.00 40.13 C ATOM 0 H LEU A 114 -1.444 4.317 -3.160 1.00 22.50 H new ATOM 0 HA LEU A 114 -1.183 4.790 -6.065 1.00 50.24 H new ATOM 0 HB2 LEU A 114 -2.789 3.048 -5.573 1.00 42.21 H new ATOM 0 HB3 LEU A 114 -3.570 4.040 -4.358 1.00 42.21 H new ATOM 0 HG LEU A 114 -4.202 5.662 -6.171 1.00 22.25 H new ATOM 0 HD11 LEU A 114 -4.147 4.874 -8.502 1.00 1.14 H new ATOM 0 HD12 LEU A 114 -2.514 5.069 -7.823 1.00 1.14 H new ATOM 0 HD13 LEU A 114 -3.221 3.444 -7.989 1.00 1.14 H new ATOM 0 HD21 LEU A 114 -6.033 4.278 -7.063 1.00 40.13 H new ATOM 0 HD22 LEU A 114 -5.207 2.817 -6.472 1.00 40.13 H new ATOM 0 HD23 LEU A 114 -5.801 4.033 -5.316 1.00 40.13 H new ATOM 1772 N ARG A 115 -1.397 7.231 -5.572 1.00 30.44 N ATOM 1773 CA ARG A 115 -1.665 8.644 -5.426 1.00 1.50 C ATOM 1774 C ARG A 115 -2.783 9.056 -6.355 1.00 1.53 C ATOM 1775 O ARG A 115 -2.597 9.125 -7.569 1.00 64.33 O ATOM 1776 CB ARG A 115 -0.421 9.496 -5.693 1.00 5.21 C ATOM 1777 CG ARG A 115 -0.695 10.991 -5.576 1.00 54.14 C ATOM 1778 CD ARG A 115 0.542 11.828 -5.826 1.00 61.10 C ATOM 1779 NE ARG A 115 0.236 13.262 -5.789 1.00 51.54 N ATOM 1780 CZ ARG A 115 1.152 14.234 -5.792 1.00 75.23 C ATOM 1781 NH1 ARG A 115 2.443 13.939 -5.751 1.00 71.11 N ATOM 1782 NH2 ARG A 115 0.773 15.501 -5.808 1.00 51.41 N ATOM 0 H ARG A 115 -0.640 7.002 -6.216 1.00 30.44 H new ATOM 0 HA ARG A 115 -1.964 8.816 -4.392 1.00 1.50 H new ATOM 0 HB2 ARG A 115 0.363 9.218 -4.988 1.00 5.21 H new ATOM 0 HB3 ARG A 115 -0.043 9.277 -6.692 1.00 5.21 H new ATOM 0 HG2 ARG A 115 -1.470 11.272 -6.289 1.00 54.14 H new ATOM 0 HG3 ARG A 115 -1.083 11.209 -4.581 1.00 54.14 H new ATOM 0 HD2 ARG A 115 1.297 11.596 -5.075 1.00 61.10 H new ATOM 0 HD3 ARG A 115 0.967 11.570 -6.796 1.00 61.10 H new ATOM 0 HE ARG A 115 -0.746 13.536 -5.759 1.00 51.54 H new ATOM 0 HH11 ARG A 115 2.743 12.965 -5.717 1.00 71.11 H new ATOM 0 HH12 ARG A 115 3.137 14.686 -5.754 1.00 71.11 H new ATOM 0 HH21 ARG A 115 -0.219 15.736 -5.818 1.00 51.41 H new ATOM 0 HH22 ARG A 115 1.473 16.243 -5.810 1.00 51.41 H new ATOM 1796 N THR A 116 -3.936 9.306 -5.791 1.00 74.34 N ATOM 1797 CA THR A 116 -5.080 9.718 -6.562 1.00 41.24 C ATOM 1798 C THR A 116 -5.061 11.224 -6.792 1.00 42.32 C ATOM 1799 O THR A 116 -5.489 11.707 -7.837 1.00 45.20 O ATOM 1800 CB THR A 116 -6.382 9.308 -5.857 1.00 43.34 C ATOM 1801 OG1 THR A 116 -6.246 9.524 -4.445 1.00 52.20 O ATOM 1802 CG2 THR A 116 -6.700 7.843 -6.118 1.00 50.41 C ATOM 0 H THR A 116 -4.108 9.230 -4.789 1.00 74.34 H new ATOM 0 HA THR A 116 -5.034 9.218 -7.530 1.00 41.24 H new ATOM 0 HB THR A 116 -7.198 9.915 -6.250 1.00 43.34 H new ATOM 0 HG1 THR A 116 -7.007 9.120 -3.978 1.00 52.20 H new ATOM 0 HG21 THR A 116 -7.626 7.575 -5.609 1.00 50.41 H new ATOM 0 HG22 THR A 116 -6.815 7.681 -7.190 1.00 50.41 H new ATOM 0 HG23 THR A 116 -5.887 7.222 -5.742 1.00 50.41 H new ATOM 1810 N GLU A 117 -4.543 11.957 -5.822 1.00 14.34 N ATOM 1811 CA GLU A 117 -4.461 13.404 -5.915 1.00 13.11 C ATOM 1812 C GLU A 117 -3.011 13.854 -5.872 1.00 32.33 C ATOM 1813 O GLU A 117 -2.424 13.855 -4.773 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.237 14.058 -4.776 1.00 14.44 C ATOM 1815 CG GLU A 117 -6.722 13.727 -4.750 1.00 60.15 C ATOM 1816 CD GLU A 117 -7.478 14.317 -5.917 1.00 64.23 C ATOM 1817 OE1 GLU A 117 -7.481 15.561 -6.061 1.00 55.21 O ATOM 1818 OE2 GLU A 117 -8.106 13.545 -6.676 1.00 53.34 O ATOM 1819 OXT GLU A 117 -2.464 14.219 -6.929 1.00 0.00 O ATOM 0 H GLU A 117 -4.170 11.570 -4.955 1.00 14.34 H new ATOM 0 HA GLU A 117 -4.901 13.711 -6.864 1.00 13.11 H new ATOM 0 HB2 GLU A 117 -4.793 13.752 -3.829 1.00 14.44 H new ATOM 0 HB3 GLU A 117 -5.120 15.139 -4.848 1.00 14.44 H new ATOM 0 HG2 GLU A 117 -6.848 12.644 -4.753 1.00 60.15 H new ATOM 0 HG3 GLU A 117 -7.155 14.096 -3.820 1.00 60.15 H new TER 1826 GLU A 117