USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1037 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.733 K(o=0.73,f=-6.6!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.841) USER MOD Single : A 19 THR OG1 : rot -25:sc= 0.127 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -42:sc= 0.513 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 36 ASN : amide:sc= -0.0193 K(o=-0.019,f=-3.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 42 SER OG : rot 57:sc= 1.31 USER MOD Single : A 46 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.066) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 0.364 (180deg=-0.824!) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 1.31 (180deg=0.241) USER MOD Single : A 61 GLN : amide:sc= -0.0507 K(o=-0.051,f=-9.7!) USER MOD Single : A 65 GLN : amide:sc=-0.00653 X(o=-0.0065,f=-0.34) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0968 USER MOD Single : A 73 GLN : amide:sc= -0.478 K(o=-0.48,f=-5.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.758 K(o=-0.76,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.133 USER MOD Single : A 84 SER OG : rot 130:sc= -2.7! USER MOD Single : A 89 SER OG : rot 110:sc= 0.259 USER MOD Single : A 95 GLN : amide:sc= -4.33! C(o=-4.3!,f=-9.6!) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.796) USER MOD Single : A 102 SER OG : rot -13:sc= 0.228 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0847 X(o=-0.085,f=-0.14) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 23.860 -2.689 3.756 1.00 0.00 N ATOM 2 CA LYS A 2 24.158 -2.288 5.145 1.00 0.00 C ATOM 3 C LYS A 2 25.553 -2.766 5.541 1.00 0.00 C ATOM 4 O LYS A 2 25.711 -3.850 6.101 1.00 0.00 O ATOM 5 CB LYS A 2 23.114 -2.876 6.103 1.00 0.00 C ATOM 6 CG LYS A 2 23.103 -2.221 7.475 1.00 0.00 C ATOM 7 CD LYS A 2 22.598 -0.790 7.396 1.00 0.00 C ATOM 8 CE LYS A 2 22.564 -0.128 8.764 1.00 0.00 C ATOM 9 NZ LYS A 2 21.916 1.209 8.712 1.00 0.00 N1+ ATOM 0 HA LYS A 2 24.123 -1.200 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.126 -2.775 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.303 -3.943 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.470 -2.796 8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.109 -2.232 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.240 -0.214 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.598 -0.781 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.025 -0.767 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.580 -0.025 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.911 1.630 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.445 1.826 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.938 1.108 8.373 1.00 0.00 H new ATOM 25 N VAL A 3 26.565 -1.965 5.233 1.00 0.00 N ATOM 26 CA VAL A 3 27.941 -2.305 5.584 1.00 0.00 C ATOM 27 C VAL A 3 28.271 -1.842 7.001 1.00 0.00 C ATOM 28 O VAL A 3 29.320 -2.180 7.554 1.00 0.00 O ATOM 29 CB VAL A 3 28.956 -1.687 4.596 1.00 0.00 C ATOM 30 CG1 VAL A 3 28.769 -2.268 3.203 1.00 0.00 C ATOM 31 CG2 VAL A 3 28.832 -0.169 4.565 1.00 0.00 C ATOM 0 H VAL A 3 26.461 -1.077 4.742 1.00 0.00 H new ATOM 0 HA VAL A 3 28.022 -3.391 5.528 1.00 0.00 H new ATOM 0 HB VAL A 3 29.959 -1.937 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 3 29.493 -1.820 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 3 28.920 -3.347 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 3 27.760 -2.054 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 3 29.557 0.241 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 3 27.826 0.108 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 3 29.024 0.232 5.560 1.00 0.00 H new ATOM 41 N GLN A 4 27.362 -1.071 7.582 1.00 0.00 N ATOM 42 CA GLN A 4 27.536 -0.540 8.924 1.00 0.00 C ATOM 43 C GLN A 4 27.149 -1.580 9.969 1.00 0.00 C ATOM 44 O GLN A 4 26.130 -1.452 10.651 1.00 0.00 O ATOM 45 CB GLN A 4 26.701 0.732 9.113 1.00 0.00 C ATOM 46 CG GLN A 4 26.988 1.820 8.086 1.00 0.00 C ATOM 47 CD GLN A 4 26.111 1.730 6.846 1.00 0.00 C ATOM 48 OE1 GLN A 4 25.654 0.651 6.461 1.00 0.00 O ATOM 49 NE2 GLN A 4 25.881 2.864 6.206 1.00 0.00 N ATOM 0 H GLN A 4 26.486 -0.797 7.137 1.00 0.00 H new ATOM 0 HA GLN A 4 28.589 -0.290 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 4 25.644 0.471 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 4 26.886 1.131 10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 4 26.846 2.795 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 4 28.034 1.759 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 4 26.277 3.736 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 4 25.308 2.866 5.362 1.00 0.00 H new ATOM 58 N GLU A 5 27.957 -2.622 10.067 1.00 0.00 N ATOM 59 CA GLU A 5 27.768 -3.650 11.076 1.00 0.00 C ATOM 60 C GLU A 5 29.074 -3.877 11.823 1.00 0.00 C ATOM 61 O GLU A 5 29.910 -4.680 11.416 1.00 0.00 O ATOM 62 CB GLU A 5 27.271 -4.953 10.435 1.00 0.00 C ATOM 63 CG GLU A 5 27.133 -6.109 11.415 1.00 0.00 C ATOM 64 CD GLU A 5 26.305 -5.752 12.632 1.00 0.00 C ATOM 65 OE1 GLU A 5 25.063 -5.838 12.560 1.00 0.00 O1- ATOM 66 OE2 GLU A 5 26.895 -5.396 13.672 1.00 0.00 O ATOM 0 H GLU A 5 28.757 -2.779 9.454 1.00 0.00 H new ATOM 0 HA GLU A 5 27.009 -3.318 11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.304 -4.770 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 5 27.960 -5.242 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 5 26.676 -6.958 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.125 -6.427 11.737 1.00 0.00 H new ATOM 73 N GLN A 6 29.251 -3.151 12.911 1.00 0.00 N ATOM 74 CA GLN A 6 30.482 -3.221 13.673 1.00 0.00 C ATOM 75 C GLN A 6 30.460 -4.430 14.603 1.00 0.00 C ATOM 76 O GLN A 6 30.083 -4.325 15.772 1.00 0.00 O ATOM 77 CB GLN A 6 30.677 -1.926 14.462 1.00 0.00 C ATOM 78 CG GLN A 6 32.087 -1.742 14.995 1.00 0.00 C ATOM 79 CD GLN A 6 32.273 -0.389 15.642 1.00 0.00 C ATOM 80 OE1 GLN A 6 32.608 0.586 14.975 1.00 0.00 O ATOM 81 NE2 GLN A 6 32.079 -0.320 16.948 1.00 0.00 N ATOM 0 H GLN A 6 28.556 -2.505 13.287 1.00 0.00 H new ATOM 0 HA GLN A 6 31.322 -3.338 12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 6 30.427 -1.080 13.822 1.00 0.00 H new ATOM 0 HB3 GLN A 6 29.977 -1.911 15.298 1.00 0.00 H new ATOM 0 HG2 GLN A 6 32.306 -2.525 15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 6 32.801 -1.856 14.179 1.00 0.00 H new ATOM 0 HE21 GLN A 6 31.801 -1.153 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 6 32.207 0.566 17.437 1.00 0.00 H new ATOM 90 N SER A 7 30.825 -5.582 14.059 1.00 0.00 N ATOM 91 CA SER A 7 30.886 -6.814 14.833 1.00 0.00 C ATOM 92 C SER A 7 32.337 -7.183 15.138 1.00 0.00 C ATOM 93 O SER A 7 33.015 -7.808 14.322 1.00 0.00 O ATOM 94 CB SER A 7 30.197 -7.955 14.074 1.00 0.00 C ATOM 95 OG SER A 7 28.846 -7.634 13.780 1.00 0.00 O ATOM 0 H SER A 7 31.085 -5.689 13.079 1.00 0.00 H new ATOM 0 HA SER A 7 30.363 -6.655 15.776 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.735 -8.156 13.148 1.00 0.00 H new ATOM 0 HB3 SER A 7 30.235 -8.867 14.670 1.00 0.00 H new ATOM 0 HG SER A 7 28.431 -8.378 13.295 1.00 0.00 H new ATOM 101 N VAL A 8 32.809 -6.783 16.309 1.00 0.00 N ATOM 102 CA VAL A 8 34.172 -7.071 16.718 1.00 0.00 C ATOM 103 C VAL A 8 34.232 -8.434 17.393 1.00 0.00 C ATOM 104 O VAL A 8 34.030 -8.559 18.604 1.00 0.00 O ATOM 105 CB VAL A 8 34.730 -5.992 17.671 1.00 0.00 C ATOM 106 CG1 VAL A 8 36.197 -6.255 17.987 1.00 0.00 C ATOM 107 CG2 VAL A 8 34.553 -4.604 17.071 1.00 0.00 C ATOM 0 H VAL A 8 32.265 -6.257 16.993 1.00 0.00 H new ATOM 0 HA VAL A 8 34.791 -7.073 15.821 1.00 0.00 H new ATOM 0 HB VAL A 8 34.167 -6.039 18.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 36.568 -5.482 18.660 1.00 0.00 H new ATOM 0 HG12 VAL A 8 36.297 -7.230 18.464 1.00 0.00 H new ATOM 0 HG13 VAL A 8 36.776 -6.241 17.064 1.00 0.00 H new ATOM 0 HG21 VAL A 8 34.952 -3.857 17.757 1.00 0.00 H new ATOM 0 HG22 VAL A 8 35.087 -4.547 16.122 1.00 0.00 H new ATOM 0 HG23 VAL A 8 33.493 -4.413 16.903 1.00 0.00 H new ATOM 117 N GLY A 9 34.483 -9.458 16.596 1.00 0.00 N ATOM 118 CA GLY A 9 34.551 -10.799 17.122 1.00 0.00 C ATOM 119 C GLY A 9 34.585 -11.842 16.033 1.00 0.00 C ATOM 120 O GLY A 9 35.385 -11.754 15.101 1.00 0.00 O ATOM 0 H GLY A 9 34.641 -9.382 15.591 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.441 -10.898 17.744 1.00 0.00 H new ATOM 0 HA3 GLY A 9 33.690 -10.978 17.766 1.00 0.00 H new ATOM 124 N ALA A 10 33.701 -12.814 16.137 1.00 0.00 N ATOM 125 CA ALA A 10 33.678 -13.933 15.205 1.00 0.00 C ATOM 126 C ALA A 10 32.980 -13.586 13.884 1.00 0.00 C ATOM 127 O ALA A 10 33.595 -13.704 12.823 1.00 0.00 O ATOM 128 CB ALA A 10 33.038 -15.152 15.857 1.00 0.00 C ATOM 0 H ALA A 10 32.983 -12.855 16.861 1.00 0.00 H new ATOM 0 HA ALA A 10 34.713 -14.167 14.956 1.00 0.00 H new ATOM 0 HB1 ALA A 10 33.028 -15.980 15.149 1.00 0.00 H new ATOM 0 HB2 ALA A 10 33.612 -15.436 16.739 1.00 0.00 H new ATOM 0 HB3 ALA A 10 32.016 -14.913 16.150 1.00 0.00 H new ATOM 134 N PRO A 11 31.700 -13.147 13.907 1.00 0.00 N ATOM 135 CA PRO A 11 30.939 -12.890 12.676 1.00 0.00 C ATOM 136 C PRO A 11 31.482 -11.711 11.870 1.00 0.00 C ATOM 137 O PRO A 11 31.745 -10.637 12.416 1.00 0.00 O ATOM 138 CB PRO A 11 29.526 -12.580 13.183 1.00 0.00 C ATOM 139 CG PRO A 11 29.723 -12.092 14.572 1.00 0.00 C ATOM 140 CD PRO A 11 30.894 -12.862 15.111 1.00 0.00 C ATOM 0 HA PRO A 11 30.991 -13.739 11.995 1.00 0.00 H new ATOM 0 HB2 PRO A 11 29.039 -11.826 12.564 1.00 0.00 H new ATOM 0 HB3 PRO A 11 28.894 -13.468 13.161 1.00 0.00 H new ATOM 0 HG2 PRO A 11 29.919 -11.020 14.586 1.00 0.00 H new ATOM 0 HG3 PRO A 11 28.832 -12.261 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 11 31.455 -12.280 15.842 1.00 0.00 H new ATOM 0 HD3 PRO A 11 30.577 -13.779 15.609 1.00 0.00 H new ATOM 148 N PRO A 12 31.687 -11.914 10.560 1.00 0.00 N ATOM 149 CA PRO A 12 32.056 -10.841 9.636 1.00 0.00 C ATOM 150 C PRO A 12 30.924 -9.825 9.487 1.00 0.00 C ATOM 151 O PRO A 12 29.748 -10.192 9.508 1.00 0.00 O ATOM 152 CB PRO A 12 32.304 -11.571 8.307 1.00 0.00 C ATOM 153 CG PRO A 12 32.466 -13.005 8.674 1.00 0.00 C ATOM 154 CD PRO A 12 31.603 -13.212 9.882 1.00 0.00 C ATOM 0 HA PRO A 12 32.922 -10.275 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 12 31.469 -11.432 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 33.195 -11.189 7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.158 -13.656 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.508 -13.238 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.578 -13.462 9.610 1.00 0.00 H new ATOM 0 HD3 PRO A 12 31.972 -14.022 10.510 1.00 0.00 H new ATOM 162 N PRO A 13 31.273 -8.536 9.357 1.00 0.00 N ATOM 163 CA PRO A 13 30.302 -7.433 9.276 1.00 0.00 C ATOM 164 C PRO A 13 29.360 -7.525 8.074 1.00 0.00 C ATOM 165 O PRO A 13 29.642 -6.970 7.007 1.00 0.00 O ATOM 166 CB PRO A 13 31.186 -6.185 9.149 1.00 0.00 C ATOM 167 CG PRO A 13 32.515 -6.602 9.672 1.00 0.00 C ATOM 168 CD PRO A 13 32.658 -8.044 9.295 1.00 0.00 C ATOM 0 HA PRO A 13 29.641 -7.437 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 13 31.255 -5.854 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 13 30.779 -5.353 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 13 33.314 -6.001 9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 13 32.570 -6.471 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 13 33.085 -8.161 8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 13 33.309 -8.580 9.986 1.00 0.00 H new ATOM 176 N GLY A 14 28.250 -8.229 8.254 1.00 0.00 N ATOM 177 CA GLY A 14 27.215 -8.271 7.241 1.00 0.00 C ATOM 178 C GLY A 14 27.440 -9.349 6.202 1.00 0.00 C ATOM 179 O GLY A 14 28.379 -9.271 5.408 1.00 0.00 O ATOM 0 H GLY A 14 28.048 -8.776 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.251 -8.435 7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 14 27.162 -7.302 6.744 1.00 0.00 H new ATOM 183 N ARG A 15 26.575 -10.354 6.201 1.00 0.00 N ATOM 184 CA ARG A 15 26.636 -11.411 5.201 1.00 0.00 C ATOM 185 C ARG A 15 25.430 -11.327 4.271 1.00 0.00 C ATOM 186 O ARG A 15 24.316 -11.023 4.706 1.00 0.00 O ATOM 187 CB ARG A 15 26.692 -12.795 5.862 1.00 0.00 C ATOM 188 CG ARG A 15 25.441 -13.166 6.644 1.00 0.00 C ATOM 189 CD ARG A 15 25.549 -14.562 7.241 1.00 0.00 C ATOM 190 NE ARG A 15 26.604 -14.651 8.250 1.00 0.00 N ATOM 191 CZ ARG A 15 26.901 -15.762 8.922 1.00 0.00 C ATOM 192 NH1 ARG A 15 26.269 -16.902 8.656 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 27.854 -15.739 9.847 1.00 0.00 N ATOM 0 H ARG A 15 25.823 -10.460 6.882 1.00 0.00 H new ATOM 0 HA ARG A 15 27.548 -11.273 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 15 26.860 -13.547 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 15 27.550 -12.830 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 15 25.280 -12.440 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 15 24.572 -13.116 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 15 24.595 -14.838 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 15 25.747 -15.281 6.446 1.00 0.00 H new ATOM 0 HE ARG A 15 27.146 -13.811 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 15 25.551 -16.930 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.503 -17.748 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.356 -14.872 10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 15 28.084 -16.588 10.364 1.00 0.00 H new ATOM 207 N ALA A 16 25.659 -11.588 2.994 1.00 0.00 N ATOM 208 CA ALA A 16 24.591 -11.575 2.006 1.00 0.00 C ATOM 209 C ALA A 16 24.505 -12.925 1.307 1.00 0.00 C ATOM 210 O ALA A 16 25.134 -13.143 0.268 1.00 0.00 O ATOM 211 CB ALA A 16 24.813 -10.458 0.995 1.00 0.00 C ATOM 0 H ALA A 16 26.579 -11.812 2.616 1.00 0.00 H new ATOM 0 HA ALA A 16 23.646 -11.389 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.005 -10.463 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.829 -9.498 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.764 -10.612 0.486 1.00 0.00 H new ATOM 217 N ASP A 17 23.731 -13.829 1.892 1.00 0.00 N ATOM 218 CA ASP A 17 23.585 -15.183 1.363 1.00 0.00 C ATOM 219 C ASP A 17 22.869 -15.162 0.017 1.00 0.00 C ATOM 220 O ASP A 17 23.051 -16.055 -0.809 1.00 0.00 O ATOM 221 CB ASP A 17 22.822 -16.074 2.353 1.00 0.00 C ATOM 222 CG ASP A 17 21.358 -15.699 2.483 1.00 0.00 C ATOM 223 OD1 ASP A 17 21.050 -14.705 3.175 1.00 0.00 O1- ATOM 224 OD2 ASP A 17 20.509 -16.395 1.890 1.00 0.00 O ATOM 0 H ASP A 17 23.191 -13.650 2.738 1.00 0.00 H new ATOM 0 HA ASP A 17 24.583 -15.598 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 17 22.898 -17.113 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 17 23.296 -16.008 3.332 1.00 0.00 H new ATOM 229 N LYS A 18 22.055 -14.141 -0.196 1.00 0.00 N ATOM 230 CA LYS A 18 21.340 -13.973 -1.450 1.00 0.00 C ATOM 231 C LYS A 18 21.991 -12.870 -2.273 1.00 0.00 C ATOM 232 O LYS A 18 21.543 -11.721 -2.272 1.00 0.00 O ATOM 233 CB LYS A 18 19.873 -13.648 -1.169 1.00 0.00 C ATOM 234 CG LYS A 18 19.163 -14.744 -0.392 1.00 0.00 C ATOM 235 CD LYS A 18 17.833 -14.273 0.168 1.00 0.00 C ATOM 236 CE LYS A 18 17.156 -15.370 0.975 1.00 0.00 C ATOM 237 NZ LYS A 18 17.969 -15.782 2.150 1.00 0.00 N1+ ATOM 0 H LYS A 18 21.872 -13.410 0.491 1.00 0.00 H new ATOM 0 HA LYS A 18 21.385 -14.900 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 18 19.814 -12.715 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 18 19.355 -13.485 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 18 18.999 -15.602 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 18 19.801 -15.081 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.991 -13.398 0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.181 -13.964 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.181 -15.021 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.980 -16.235 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.398 -16.390 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.806 -16.308 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.273 -14.937 2.675 1.00 0.00 H new ATOM 251 N THR A 19 23.065 -13.222 -2.964 1.00 0.00 N ATOM 252 CA THR A 19 23.813 -12.262 -3.751 1.00 0.00 C ATOM 253 C THR A 19 23.196 -12.106 -5.141 1.00 0.00 C ATOM 254 O THR A 19 23.782 -12.503 -6.149 1.00 0.00 O ATOM 255 CB THR A 19 25.286 -12.695 -3.877 1.00 0.00 C ATOM 256 OG1 THR A 19 25.765 -13.158 -2.607 1.00 0.00 O ATOM 257 CG2 THR A 19 26.157 -11.539 -4.351 1.00 0.00 C ATOM 0 H THR A 19 23.437 -14.171 -2.993 1.00 0.00 H new ATOM 0 HA THR A 19 23.771 -11.301 -3.239 1.00 0.00 H new ATOM 0 HB THR A 19 25.342 -13.498 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.236 -12.751 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 19 27.192 -11.872 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.809 -11.197 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.094 -10.719 -3.636 1.00 0.00 H new ATOM 265 N ALA A 20 22.001 -11.532 -5.188 1.00 0.00 N ATOM 266 CA ALA A 20 21.306 -11.301 -6.450 1.00 0.00 C ATOM 267 C ALA A 20 21.665 -9.933 -7.015 1.00 0.00 C ATOM 268 O ALA A 20 20.809 -9.206 -7.527 1.00 0.00 O ATOM 269 CB ALA A 20 19.803 -11.427 -6.255 1.00 0.00 C ATOM 0 H ALA A 20 21.490 -11.216 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 20 21.624 -12.058 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.297 -11.252 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.565 -12.428 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 20 19.468 -10.691 -5.524 1.00 0.00 H new ATOM 275 N ALA A 21 22.946 -9.604 -6.933 1.00 0.00 N ATOM 276 CA ALA A 21 23.446 -8.299 -7.359 1.00 0.00 C ATOM 277 C ALA A 21 23.298 -8.086 -8.872 1.00 0.00 C ATOM 278 O ALA A 21 22.744 -7.070 -9.294 1.00 0.00 O ATOM 279 CB ALA A 21 24.893 -8.110 -6.922 1.00 0.00 C ATOM 0 H ALA A 21 23.667 -10.228 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 21 22.832 -7.542 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.247 -7.132 -7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 21 24.956 -8.175 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.512 -8.888 -7.368 1.00 0.00 H new ATOM 285 N PRO A 22 23.769 -9.026 -9.727 1.00 0.00 N ATOM 286 CA PRO A 22 23.628 -8.890 -11.182 1.00 0.00 C ATOM 287 C PRO A 22 22.237 -9.299 -11.676 1.00 0.00 C ATOM 288 O PRO A 22 22.071 -9.724 -12.819 1.00 0.00 O ATOM 289 CB PRO A 22 24.690 -9.846 -11.722 1.00 0.00 C ATOM 290 CG PRO A 22 24.782 -10.921 -10.695 1.00 0.00 C ATOM 291 CD PRO A 22 24.493 -10.268 -9.367 1.00 0.00 C ATOM 0 HA PRO A 22 23.750 -7.858 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 22 24.404 -10.249 -12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 22 25.647 -9.342 -11.855 1.00 0.00 H new ATOM 0 HG2 PRO A 22 24.066 -11.717 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 22 25.773 -11.376 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.888 -10.912 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 22 25.411 -10.051 -8.821 1.00 0.00 H new ATOM 299 N GLN A 23 21.245 -9.171 -10.805 1.00 0.00 N ATOM 300 CA GLN A 23 19.871 -9.517 -11.145 1.00 0.00 C ATOM 301 C GLN A 23 18.929 -8.414 -10.706 1.00 0.00 C ATOM 302 O GLN A 23 18.265 -7.791 -11.533 1.00 0.00 O ATOM 303 CB GLN A 23 19.461 -10.836 -10.483 1.00 0.00 C ATOM 304 CG GLN A 23 20.349 -12.013 -10.848 1.00 0.00 C ATOM 305 CD GLN A 23 19.985 -13.270 -10.085 1.00 0.00 C ATOM 306 OE1 GLN A 23 19.486 -13.206 -8.963 1.00 0.00 O ATOM 307 NE2 GLN A 23 20.239 -14.422 -10.681 1.00 0.00 N ATOM 0 H GLN A 23 21.367 -8.828 -9.852 1.00 0.00 H new ATOM 0 HA GLN A 23 19.810 -9.635 -12.227 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.473 -10.707 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.434 -11.068 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.271 -12.205 -11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.389 -11.757 -10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.654 -14.434 -11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.020 -15.299 -10.209 1.00 0.00 H new ATOM 316 N THR A 24 18.878 -8.185 -9.395 1.00 0.00 N ATOM 317 CA THR A 24 18.004 -7.177 -8.802 1.00 0.00 C ATOM 318 C THR A 24 16.532 -7.592 -8.866 1.00 0.00 C ATOM 319 O THR A 24 15.771 -7.327 -7.933 1.00 0.00 O ATOM 320 CB THR A 24 18.192 -5.794 -9.467 1.00 0.00 C ATOM 321 OG1 THR A 24 19.581 -5.448 -9.468 1.00 0.00 O ATOM 322 CG2 THR A 24 17.410 -4.717 -8.735 1.00 0.00 C ATOM 0 H THR A 24 19.442 -8.694 -8.714 1.00 0.00 H new ATOM 0 HA THR A 24 18.292 -7.097 -7.754 1.00 0.00 H new ATOM 0 HB THR A 24 17.818 -5.857 -10.489 1.00 0.00 H new ATOM 0 HG1 THR A 24 19.700 -4.572 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 24 17.564 -3.757 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 24 16.349 -4.966 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.755 -4.654 -7.703 1.00 0.00 H new ATOM 330 N ARG A 25 16.138 -8.243 -9.976 1.00 0.00 N ATOM 331 CA ARG A 25 14.755 -8.698 -10.185 1.00 0.00 C ATOM 332 C ARG A 25 13.818 -7.517 -10.243 1.00 0.00 C ATOM 333 O ARG A 25 12.598 -7.662 -10.267 1.00 0.00 O ATOM 334 CB ARG A 25 14.348 -9.654 -9.076 1.00 0.00 C ATOM 335 CG ARG A 25 15.295 -10.817 -8.996 1.00 0.00 C ATOM 336 CD ARG A 25 15.035 -11.788 -10.132 1.00 0.00 C ATOM 337 NE ARG A 25 15.955 -12.923 -10.147 1.00 0.00 N ATOM 338 CZ ARG A 25 16.135 -13.700 -11.214 1.00 0.00 C ATOM 339 NH1 ARG A 25 15.463 -13.457 -12.333 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 16.976 -14.725 -11.163 1.00 0.00 N ATOM 0 H ARG A 25 16.767 -8.466 -10.748 1.00 0.00 H new ATOM 0 HA ARG A 25 14.696 -9.227 -11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.333 -9.126 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.336 -10.016 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.324 -10.460 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.176 -11.326 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 25 14.013 -12.159 -10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.111 -11.255 -11.080 1.00 0.00 H new ATOM 0 HE ARG A 25 16.485 -13.130 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.809 -12.675 -12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.601 -14.052 -13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.489 -14.922 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.110 -15.316 -11.983 1.00 0.00 H new ATOM 354 N LEU A 26 14.436 -6.355 -10.277 1.00 0.00 N ATOM 355 CA LEU A 26 13.739 -5.073 -10.282 1.00 0.00 C ATOM 356 C LEU A 26 12.904 -4.930 -9.015 1.00 0.00 C ATOM 357 O LEU A 26 11.794 -4.396 -9.046 1.00 0.00 O ATOM 358 CB LEU A 26 12.848 -4.918 -11.530 1.00 0.00 C ATOM 359 CG LEU A 26 13.583 -4.699 -12.865 1.00 0.00 C ATOM 360 CD1 LEU A 26 14.587 -3.562 -12.750 1.00 0.00 C ATOM 361 CD2 LEU A 26 14.268 -5.975 -13.338 1.00 0.00 C ATOM 0 H LEU A 26 15.452 -6.266 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 26 14.488 -4.282 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.228 -5.810 -11.622 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.174 -4.077 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 26 12.837 -4.425 -13.611 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.094 -3.426 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.066 -2.643 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.321 -3.801 -11.981 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.777 -5.786 -14.283 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.995 -6.296 -12.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.522 -6.758 -13.478 1.00 0.00 H new ATOM 373 N THR A 27 13.441 -5.417 -7.900 1.00 0.00 N ATOM 374 CA THR A 27 12.722 -5.374 -6.637 1.00 0.00 C ATOM 375 C THR A 27 13.438 -4.491 -5.618 1.00 0.00 C ATOM 376 O THR A 27 14.397 -4.916 -4.968 1.00 0.00 O ATOM 377 CB THR A 27 12.508 -6.788 -6.048 1.00 0.00 C ATOM 378 OG1 THR A 27 13.740 -7.525 -6.029 1.00 0.00 O ATOM 379 CG2 THR A 27 11.469 -7.553 -6.853 1.00 0.00 C ATOM 0 H THR A 27 14.366 -5.843 -7.848 1.00 0.00 H new ATOM 0 HA THR A 27 11.745 -4.941 -6.850 1.00 0.00 H new ATOM 0 HB THR A 27 12.151 -6.672 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.224 -7.375 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.333 -8.545 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.522 -7.014 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.806 -7.649 -7.885 1.00 0.00 H new ATOM 387 N PRO A 28 12.986 -3.238 -5.475 1.00 0.00 N ATOM 388 CA PRO A 28 13.525 -2.321 -4.477 1.00 0.00 C ATOM 389 C PRO A 28 13.045 -2.681 -3.075 1.00 0.00 C ATOM 390 O PRO A 28 11.946 -3.212 -2.905 1.00 0.00 O ATOM 391 CB PRO A 28 12.967 -0.963 -4.906 1.00 0.00 C ATOM 392 CG PRO A 28 11.698 -1.285 -5.617 1.00 0.00 C ATOM 393 CD PRO A 28 11.912 -2.621 -6.276 1.00 0.00 C ATOM 0 HA PRO A 28 14.614 -2.345 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 28 12.787 -0.319 -4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.664 -0.436 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.861 -1.325 -4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.461 -0.520 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.004 -3.225 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.204 -2.510 -7.320 1.00 0.00 H new ATOM 401 N TYR A 29 13.863 -2.387 -2.074 1.00 0.00 N ATOM 402 CA TYR A 29 13.528 -2.704 -0.688 1.00 0.00 C ATOM 403 C TYR A 29 12.521 -1.697 -0.123 1.00 0.00 C ATOM 404 O TYR A 29 12.729 -1.107 0.937 1.00 0.00 O ATOM 405 CB TYR A 29 14.800 -2.765 0.172 1.00 0.00 C ATOM 406 CG TYR A 29 15.741 -1.588 0.000 1.00 0.00 C ATOM 407 CD1 TYR A 29 15.585 -0.426 0.744 1.00 0.00 C ATOM 408 CD2 TYR A 29 16.798 -1.653 -0.900 1.00 0.00 C ATOM 409 CE1 TYR A 29 16.450 0.639 0.595 1.00 0.00 C ATOM 410 CE2 TYR A 29 17.670 -0.593 -1.053 1.00 0.00 C ATOM 411 CZ TYR A 29 17.492 0.551 -0.303 1.00 0.00 C ATOM 412 OH TYR A 29 18.356 1.612 -0.453 1.00 0.00 O ATOM 0 H TYR A 29 14.766 -1.928 -2.194 1.00 0.00 H new ATOM 0 HA TYR A 29 13.057 -3.687 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.510 -2.830 1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 29 15.340 -3.681 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.772 -0.354 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.940 -2.547 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.311 1.537 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.487 -0.659 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 29 19.035 1.389 -1.124 1.00 0.00 H new ATOM 422 N ALA A 30 11.417 -1.526 -0.838 1.00 0.00 N ATOM 423 CA ALA A 30 10.388 -0.568 -0.461 1.00 0.00 C ATOM 424 C ALA A 30 9.337 -1.207 0.437 1.00 0.00 C ATOM 425 O ALA A 30 8.444 -0.525 0.940 1.00 0.00 O ATOM 426 CB ALA A 30 9.728 0.008 -1.702 1.00 0.00 C ATOM 0 H ALA A 30 11.211 -2.045 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 30 10.868 0.235 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.960 0.723 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.478 0.512 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.272 -0.797 -2.278 1.00 0.00 H new ATOM 432 N GLN A 31 9.451 -2.514 0.646 1.00 0.00 N ATOM 433 CA GLN A 31 8.497 -3.247 1.472 1.00 0.00 C ATOM 434 C GLN A 31 8.835 -3.095 2.957 1.00 0.00 C ATOM 435 O GLN A 31 9.050 -4.074 3.672 1.00 0.00 O ATOM 436 CB GLN A 31 8.456 -4.728 1.068 1.00 0.00 C ATOM 437 CG GLN A 31 9.817 -5.409 1.043 1.00 0.00 C ATOM 438 CD GLN A 31 9.724 -6.887 0.715 1.00 0.00 C ATOM 439 OE1 GLN A 31 8.828 -7.323 -0.010 1.00 0.00 O ATOM 440 NE2 GLN A 31 10.645 -7.668 1.250 1.00 0.00 N ATOM 0 H GLN A 31 10.196 -3.089 0.254 1.00 0.00 H new ATOM 0 HA GLN A 31 7.506 -2.823 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.808 -5.264 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.003 -4.810 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.452 -4.917 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.299 -5.286 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.370 -7.268 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.631 -8.672 1.068 1.00 0.00 H new ATOM 449 N ALA A 32 8.876 -1.849 3.409 1.00 0.00 N ATOM 450 CA ALA A 32 9.185 -1.536 4.796 1.00 0.00 C ATOM 451 C ALA A 32 8.061 -0.721 5.424 1.00 0.00 C ATOM 452 O ALA A 32 8.273 0.024 6.386 1.00 0.00 O ATOM 453 CB ALA A 32 10.507 -0.784 4.880 1.00 0.00 C ATOM 0 H ALA A 32 8.697 -1.031 2.827 1.00 0.00 H new ATOM 0 HA ALA A 32 9.279 -2.468 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.729 -0.554 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.304 -1.402 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.435 0.143 4.312 1.00 0.00 H new ATOM 459 N GLY A 33 6.862 -0.869 4.872 1.00 0.00 N ATOM 460 CA GLY A 33 5.706 -0.160 5.386 1.00 0.00 C ATOM 461 C GLY A 33 5.082 -0.876 6.565 1.00 0.00 C ATOM 462 O GLY A 33 3.993 -1.449 6.457 1.00 0.00 O ATOM 0 H GLY A 33 6.670 -1.472 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.001 0.845 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.965 -0.051 4.594 1.00 0.00 H new ATOM 466 N GLU A 34 5.777 -0.840 7.693 1.00 0.00 N ATOM 467 CA GLU A 34 5.341 -1.519 8.908 1.00 0.00 C ATOM 468 C GLU A 34 4.150 -0.808 9.554 1.00 0.00 C ATOM 469 O GLU A 34 4.267 -0.237 10.642 1.00 0.00 O ATOM 470 CB GLU A 34 6.506 -1.598 9.897 1.00 0.00 C ATOM 471 CG GLU A 34 7.689 -2.399 9.378 1.00 0.00 C ATOM 472 CD GLU A 34 7.369 -3.872 9.235 1.00 0.00 C ATOM 473 OE1 GLU A 34 7.449 -4.599 10.245 1.00 0.00 O ATOM 474 OE2 GLU A 34 7.041 -4.313 8.116 1.00 0.00 O1- ATOM 0 H GLU A 34 6.660 -0.339 7.793 1.00 0.00 H new ATOM 0 HA GLU A 34 5.018 -2.525 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.838 -0.588 10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.154 -2.046 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.998 -2.001 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.533 -2.277 10.057 1.00 0.00 H new ATOM 481 N ASP A 35 3.008 -0.875 8.875 1.00 0.00 N ATOM 482 CA ASP A 35 1.775 -0.212 9.306 1.00 0.00 C ATOM 483 C ASP A 35 0.712 -0.373 8.226 1.00 0.00 C ATOM 484 O ASP A 35 -0.487 -0.377 8.507 1.00 0.00 O ATOM 485 CB ASP A 35 2.016 1.289 9.557 1.00 0.00 C ATOM 486 CG ASP A 35 0.795 2.019 10.101 1.00 0.00 C ATOM 487 OD1 ASP A 35 0.637 2.077 11.339 1.00 0.00 O1- ATOM 488 OD2 ASP A 35 0.011 2.568 9.299 1.00 0.00 O ATOM 0 H ASP A 35 2.909 -1.394 8.003 1.00 0.00 H new ATOM 0 HA ASP A 35 1.442 -0.673 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.841 1.404 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.325 1.760 8.624 1.00 0.00 H new ATOM 493 N ASN A 36 1.190 -0.535 6.982 1.00 0.00 N ATOM 494 CA ASN A 36 0.347 -0.527 5.776 1.00 0.00 C ATOM 495 C ASN A 36 -0.164 0.880 5.513 1.00 0.00 C ATOM 496 O ASN A 36 -0.930 1.110 4.580 1.00 0.00 O ATOM 497 CB ASN A 36 -0.842 -1.498 5.865 1.00 0.00 C ATOM 498 CG ASN A 36 -0.426 -2.955 5.815 1.00 0.00 C ATOM 499 OD1 ASN A 36 -0.229 -3.520 4.741 1.00 0.00 O ATOM 500 ND2 ASN A 36 -0.332 -3.584 6.974 1.00 0.00 N ATOM 0 H ASN A 36 2.180 -0.676 6.783 1.00 0.00 H new ATOM 0 HA ASN A 36 0.975 -0.865 4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.385 -1.313 6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.531 -1.295 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.088 -4.574 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.503 -3.079 7.844 1.00 0.00 H new ATOM 507 N TRP A 37 0.275 1.813 6.358 1.00 0.00 N ATOM 508 CA TRP A 37 -0.147 3.210 6.309 1.00 0.00 C ATOM 509 C TRP A 37 -1.663 3.321 6.369 1.00 0.00 C ATOM 510 O TRP A 37 -2.223 4.326 5.964 1.00 0.00 O ATOM 511 CB TRP A 37 0.352 3.907 5.039 1.00 0.00 C ATOM 512 CG TRP A 37 1.799 3.675 4.736 1.00 0.00 C ATOM 513 CD1 TRP A 37 2.838 3.685 5.617 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.363 3.415 3.447 1.00 0.00 C ATOM 515 NE1 TRP A 37 4.014 3.425 4.958 1.00 0.00 N ATOM 516 CE2 TRP A 37 3.750 3.260 3.622 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.826 3.294 2.162 1.00 0.00 C ATOM 518 CZ2 TRP A 37 4.607 2.987 2.557 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.675 3.025 1.108 1.00 0.00 C ATOM 520 CH2 TRP A 37 4.053 2.874 1.309 1.00 0.00 C ATOM 0 H TRP A 37 0.942 1.616 7.104 1.00 0.00 H new ATOM 0 HA TRP A 37 0.291 3.702 7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.244 3.564 4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.181 4.979 5.136 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.750 3.870 6.677 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.935 3.364 5.392 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.765 3.409 1.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.670 2.869 2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.270 2.929 0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.691 2.664 0.463 1.00 0.00 H new ATOM 531 N ARG A 38 -2.325 2.304 6.902 1.00 0.00 N ATOM 532 CA ARG A 38 -3.777 2.223 6.826 1.00 0.00 C ATOM 533 C ARG A 38 -4.447 3.316 7.640 1.00 0.00 C ATOM 534 O ARG A 38 -5.390 3.946 7.170 1.00 0.00 O ATOM 535 CB ARG A 38 -4.277 0.852 7.262 1.00 0.00 C ATOM 536 CG ARG A 38 -3.579 0.301 8.497 1.00 0.00 C ATOM 537 CD ARG A 38 -4.000 -1.130 8.782 1.00 0.00 C ATOM 538 NE ARG A 38 -3.093 -1.789 9.723 1.00 0.00 N ATOM 539 CZ ARG A 38 -3.415 -2.866 10.440 1.00 0.00 C ATOM 540 NH1 ARG A 38 -4.623 -3.400 10.332 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -2.521 -3.415 11.253 1.00 0.00 N ATOM 0 H ARG A 38 -1.882 1.526 7.390 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.049 2.372 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.347 0.913 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.144 0.150 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.499 0.342 8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.811 0.928 9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.012 -1.137 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.027 -1.693 7.849 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.157 -1.400 9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.308 -2.987 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.867 -4.224 10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.587 -3.013 11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.768 -4.239 11.801 1.00 0.00 H new ATOM 555 N SER A 39 -3.958 3.549 8.846 1.00 0.00 N ATOM 556 CA SER A 39 -4.503 4.599 9.690 1.00 0.00 C ATOM 557 C SER A 39 -4.234 5.959 9.058 1.00 0.00 C ATOM 558 O SER A 39 -5.090 6.851 9.059 1.00 0.00 O ATOM 559 CB SER A 39 -3.879 4.505 11.082 1.00 0.00 C ATOM 560 OG SER A 39 -2.479 4.302 10.986 1.00 0.00 O ATOM 0 H SER A 39 -3.187 3.027 9.262 1.00 0.00 H new ATOM 0 HA SER A 39 -5.582 4.477 9.785 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.082 5.419 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.334 3.684 11.636 1.00 0.00 H new ATOM 0 HG SER A 39 -2.094 4.246 11.886 1.00 0.00 H new ATOM 566 N ARG A 40 -3.049 6.086 8.476 1.00 0.00 N ATOM 567 CA ARG A 40 -2.637 7.308 7.832 1.00 0.00 C ATOM 568 C ARG A 40 -3.469 7.533 6.572 1.00 0.00 C ATOM 569 O ARG A 40 -3.992 8.622 6.335 1.00 0.00 O ATOM 570 CB ARG A 40 -1.148 7.237 7.467 1.00 0.00 C ATOM 571 CG ARG A 40 -0.318 6.229 8.261 1.00 0.00 C ATOM 572 CD ARG A 40 -0.307 6.529 9.751 1.00 0.00 C ATOM 573 NE ARG A 40 0.243 5.411 10.519 1.00 0.00 N ATOM 574 CZ ARG A 40 1.003 5.551 11.602 1.00 0.00 C ATOM 575 NH1 ARG A 40 1.356 6.763 12.020 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 1.413 4.475 12.261 1.00 0.00 N ATOM 0 H ARG A 40 -2.353 5.341 8.442 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.792 8.140 8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.064 6.995 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.712 8.227 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.716 5.227 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.705 6.230 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.283 7.426 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.322 6.739 10.088 1.00 0.00 H new ATOM 0 HE ARG A 40 0.030 4.465 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.044 7.589 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.939 6.866 12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.145 3.546 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.996 4.577 13.092 1.00 0.00 H new ATOM 590 N ILE A 41 -3.587 6.481 5.773 1.00 0.00 N ATOM 591 CA ILE A 41 -4.367 6.513 4.549 1.00 0.00 C ATOM 592 C ILE A 41 -5.834 6.777 4.856 1.00 0.00 C ATOM 593 O ILE A 41 -6.499 7.499 4.125 1.00 0.00 O ATOM 594 CB ILE A 41 -4.223 5.185 3.758 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.849 5.113 3.081 1.00 0.00 C ATOM 596 CG2 ILE A 41 -5.334 5.024 2.730 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.597 3.819 2.337 1.00 0.00 C ATOM 0 H ILE A 41 -3.143 5.582 5.958 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.982 7.325 3.932 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.309 4.363 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.755 5.945 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.075 5.242 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.201 4.084 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.300 5.021 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.298 5.852 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.605 3.846 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.657 2.982 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.347 3.696 1.556 1.00 0.00 H new ATOM 609 N SER A 42 -6.326 6.207 5.952 1.00 0.00 N ATOM 610 CA SER A 42 -7.704 6.436 6.374 1.00 0.00 C ATOM 611 C SER A 42 -7.999 7.930 6.525 1.00 0.00 C ATOM 612 O SER A 42 -9.090 8.391 6.173 1.00 0.00 O ATOM 613 CB SER A 42 -7.990 5.703 7.685 1.00 0.00 C ATOM 614 OG SER A 42 -7.960 4.297 7.490 1.00 0.00 O ATOM 0 H SER A 42 -5.794 5.586 6.562 1.00 0.00 H new ATOM 0 HA SER A 42 -8.360 6.041 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.252 5.987 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.966 6.001 8.069 1.00 0.00 H new ATOM 0 HG SER A 42 -7.091 4.037 7.118 1.00 0.00 H new ATOM 620 N GLY A 43 -7.020 8.681 7.021 1.00 0.00 N ATOM 621 CA GLY A 43 -7.182 10.121 7.133 1.00 0.00 C ATOM 622 C GLY A 43 -7.268 10.792 5.775 1.00 0.00 C ATOM 623 O GLY A 43 -8.125 11.643 5.543 1.00 0.00 O ATOM 0 H GLY A 43 -6.122 8.322 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.084 10.341 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.343 10.538 7.690 1.00 0.00 H new ATOM 627 N ARG A 44 -6.386 10.386 4.872 1.00 0.00 N ATOM 628 CA ARG A 44 -6.339 10.926 3.529 1.00 0.00 C ATOM 629 C ARG A 44 -7.548 10.479 2.706 1.00 0.00 C ATOM 630 O ARG A 44 -8.012 11.194 1.825 1.00 0.00 O ATOM 631 CB ARG A 44 -5.042 10.498 2.854 1.00 0.00 C ATOM 632 CG ARG A 44 -3.837 11.352 3.211 1.00 0.00 C ATOM 633 CD ARG A 44 -3.498 11.261 4.688 1.00 0.00 C ATOM 634 NE ARG A 44 -2.318 12.047 5.034 1.00 0.00 N ATOM 635 CZ ARG A 44 -1.950 12.329 6.281 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.703 11.944 7.303 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -0.834 13.010 6.502 1.00 0.00 N ATOM 0 H ARG A 44 -5.683 9.670 5.055 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.372 12.014 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.831 9.463 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.183 10.524 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.978 11.033 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.037 12.391 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.348 11.608 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.329 10.218 4.956 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.740 12.402 4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.568 11.430 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.417 12.162 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.260 13.317 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.550 13.227 7.457 1.00 0.00 H new ATOM 651 N LEU A 45 -8.033 9.279 2.985 1.00 0.00 N ATOM 652 CA LEU A 45 -9.222 8.744 2.333 1.00 0.00 C ATOM 653 C LEU A 45 -10.426 9.617 2.680 1.00 0.00 C ATOM 654 O LEU A 45 -11.333 9.810 1.878 1.00 0.00 O ATOM 655 CB LEU A 45 -9.440 7.308 2.818 1.00 0.00 C ATOM 656 CG LEU A 45 -9.891 6.298 1.761 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.811 4.890 2.316 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.303 6.583 1.283 1.00 0.00 C ATOM 0 H LEU A 45 -7.615 8.648 3.669 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.096 8.743 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.509 6.950 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.184 7.325 3.615 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.220 6.391 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.134 4.180 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.783 4.670 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.458 4.806 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.589 5.846 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.991 6.528 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.345 7.580 0.845 1.00 0.00 H new ATOM 670 N ASN A 46 -10.384 10.160 3.889 1.00 0.00 N ATOM 671 CA ASN A 46 -11.418 11.056 4.406 1.00 0.00 C ATOM 672 C ASN A 46 -11.340 12.391 3.688 1.00 0.00 C ATOM 673 O ASN A 46 -12.346 13.075 3.491 1.00 0.00 O ATOM 674 CB ASN A 46 -11.237 11.251 5.921 1.00 0.00 C ATOM 675 CG ASN A 46 -12.086 12.377 6.488 1.00 0.00 C ATOM 676 OD1 ASN A 46 -11.651 13.530 6.547 1.00 0.00 O ATOM 677 ND2 ASN A 46 -13.289 12.050 6.934 1.00 0.00 N ATOM 0 H ASN A 46 -9.624 9.991 4.548 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.399 10.615 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.489 10.322 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.187 11.456 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.892 12.763 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.613 11.085 6.867 1.00 0.00 H new ATOM 684 N ARG A 47 -10.123 12.741 3.293 1.00 0.00 N ATOM 685 CA ARG A 47 -9.868 13.910 2.475 1.00 0.00 C ATOM 686 C ARG A 47 -10.639 13.824 1.155 1.00 0.00 C ATOM 687 O ARG A 47 -10.849 14.836 0.485 1.00 0.00 O ATOM 688 CB ARG A 47 -8.350 14.043 2.252 1.00 0.00 C ATOM 689 CG ARG A 47 -7.919 14.374 0.828 1.00 0.00 C ATOM 690 CD ARG A 47 -6.402 14.489 0.733 1.00 0.00 C ATOM 691 NE ARG A 47 -5.941 14.741 -0.632 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.683 14.562 -1.042 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.734 14.207 -0.183 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.364 14.766 -2.312 1.00 0.00 N ATOM 0 H ARG A 47 -9.283 12.216 3.535 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.221 14.806 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.970 14.819 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.874 13.108 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.273 13.600 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.379 15.310 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.061 15.295 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.948 13.569 1.102 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.623 15.074 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.963 14.068 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.776 14.073 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.080 15.060 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.403 14.629 -2.625 1.00 0.00 H new ATOM 708 N PHE A 48 -11.072 12.618 0.782 1.00 0.00 N ATOM 709 CA PHE A 48 -11.883 12.470 -0.414 1.00 0.00 C ATOM 710 C PHE A 48 -13.298 11.975 -0.101 1.00 0.00 C ATOM 711 O PHE A 48 -14.280 12.665 -0.391 1.00 0.00 O ATOM 712 CB PHE A 48 -11.223 11.512 -1.405 1.00 0.00 C ATOM 713 CG PHE A 48 -9.924 12.006 -1.974 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.913 12.944 -2.992 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.715 11.515 -1.506 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.722 13.389 -3.531 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.519 11.958 -2.039 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.523 12.895 -3.054 1.00 0.00 C ATOM 0 H PHE A 48 -10.877 11.751 1.282 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.960 13.463 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.048 10.558 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.916 11.322 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.847 13.333 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.707 10.778 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.728 14.122 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.583 11.572 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.590 13.241 -3.474 1.00 0.00 H new ATOM 728 N LYS A 49 -13.392 10.801 0.516 1.00 0.00 N ATOM 729 CA LYS A 49 -14.673 10.161 0.818 1.00 0.00 C ATOM 730 C LYS A 49 -14.485 9.125 1.911 1.00 0.00 C ATOM 731 O LYS A 49 -13.948 8.048 1.658 1.00 0.00 O ATOM 732 CB LYS A 49 -15.259 9.430 -0.400 1.00 0.00 C ATOM 733 CG LYS A 49 -15.686 10.321 -1.553 1.00 0.00 C ATOM 734 CD LYS A 49 -16.508 9.539 -2.561 1.00 0.00 C ATOM 735 CE LYS A 49 -16.989 10.415 -3.702 1.00 0.00 C ATOM 736 NZ LYS A 49 -18.039 9.741 -4.511 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.581 10.263 0.822 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.354 10.955 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.518 8.720 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.122 8.850 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.269 11.160 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.806 10.739 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.909 8.720 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.367 9.092 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.382 11.349 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.146 10.673 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.342 10.371 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.656 8.862 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.854 9.518 -3.905 1.00 0.00 H new ATOM 750 N ARG A 50 -14.920 9.413 3.118 1.00 0.00 N ATOM 751 CA ARG A 50 -14.818 8.424 4.166 1.00 0.00 C ATOM 752 C ARG A 50 -16.189 7.833 4.462 1.00 0.00 C ATOM 753 O ARG A 50 -17.019 8.444 5.132 1.00 0.00 O ATOM 754 CB ARG A 50 -14.199 9.024 5.422 1.00 0.00 C ATOM 755 CG ARG A 50 -13.769 7.978 6.436 1.00 0.00 C ATOM 756 CD ARG A 50 -12.731 7.028 5.859 1.00 0.00 C ATOM 757 NE ARG A 50 -12.302 6.034 6.841 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.286 5.192 6.657 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.618 5.195 5.508 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.939 4.350 7.621 1.00 0.00 N ATOM 0 H ARG A 50 -15.338 10.302 3.394 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.162 7.623 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.334 9.625 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.918 9.698 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.360 8.472 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.639 7.410 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.146 6.522 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.867 7.598 5.517 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.813 5.982 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.883 5.842 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.840 4.550 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.450 4.347 8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.161 3.706 7.480 1.00 0.00 H new ATOM 774 N TYR A 51 -16.406 6.634 3.953 1.00 0.00 N ATOM 775 CA TYR A 51 -17.655 5.925 4.155 1.00 0.00 C ATOM 776 C TYR A 51 -17.553 5.070 5.412 1.00 0.00 C ATOM 777 O TYR A 51 -16.616 4.282 5.544 1.00 0.00 O ATOM 778 CB TYR A 51 -17.940 5.035 2.943 1.00 0.00 C ATOM 779 CG TYR A 51 -19.347 5.154 2.397 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.394 4.427 2.946 1.00 0.00 C ATOM 781 CD2 TYR A 51 -19.617 5.980 1.313 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.673 4.522 2.431 1.00 0.00 C ATOM 783 CE2 TYR A 51 -20.894 6.083 0.796 1.00 0.00 C ATOM 784 CZ TYR A 51 -21.917 5.349 1.358 1.00 0.00 C ATOM 785 OH TYR A 51 -23.190 5.435 0.838 1.00 0.00 O ATOM 0 H TYR A 51 -15.724 6.126 3.390 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.468 6.642 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -17.234 5.284 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -17.757 3.997 3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.207 3.777 3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -18.816 6.551 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.478 3.950 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -21.090 6.734 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 51 -23.194 6.062 0.085 1.00 0.00 H new ATOM 795 N PRO A 52 -18.490 5.228 6.361 1.00 0.00 N ATOM 796 CA PRO A 52 -18.502 4.432 7.593 1.00 0.00 C ATOM 797 C PRO A 52 -18.781 2.962 7.306 1.00 0.00 C ATOM 798 O PRO A 52 -19.716 2.629 6.577 1.00 0.00 O ATOM 799 CB PRO A 52 -19.643 5.046 8.411 1.00 0.00 C ATOM 800 CG PRO A 52 -20.521 5.710 7.408 1.00 0.00 C ATOM 801 CD PRO A 52 -19.609 6.187 6.311 1.00 0.00 C ATOM 0 HA PRO A 52 -17.542 4.454 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.186 4.282 8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.265 5.762 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.267 5.015 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.063 6.543 7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.106 6.175 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.271 7.209 6.484 1.00 0.00 H new ATOM 809 N LYS A 53 -17.969 2.085 7.897 1.00 0.00 N ATOM 810 CA LYS A 53 -18.054 0.648 7.629 1.00 0.00 C ATOM 811 C LYS A 53 -19.409 0.082 8.033 1.00 0.00 C ATOM 812 O LYS A 53 -19.820 -0.951 7.521 1.00 0.00 O ATOM 813 CB LYS A 53 -16.948 -0.120 8.365 1.00 0.00 C ATOM 814 CG LYS A 53 -15.521 0.258 7.971 1.00 0.00 C ATOM 815 CD LYS A 53 -15.222 -0.015 6.505 1.00 0.00 C ATOM 816 CE LYS A 53 -15.534 1.193 5.639 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.814 2.404 6.115 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.244 2.345 8.566 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.926 0.521 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.067 0.041 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.087 -1.186 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.360 1.316 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.818 -0.299 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.172 -0.284 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.809 -0.869 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.254 0.984 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.608 1.380 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.499 3.163 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.297 2.179 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.142 2.717 5.386 1.00 0.00 H new ATOM 831 N ASP A 54 -20.089 0.754 8.954 1.00 0.00 N ATOM 832 CA ASP A 54 -21.415 0.323 9.397 1.00 0.00 C ATOM 833 C ASP A 54 -22.379 0.233 8.217 1.00 0.00 C ATOM 834 O ASP A 54 -23.137 -0.730 8.091 1.00 0.00 O ATOM 835 CB ASP A 54 -21.967 1.288 10.446 1.00 0.00 C ATOM 836 CG ASP A 54 -23.349 0.888 10.926 1.00 0.00 C ATOM 837 OD1 ASP A 54 -23.453 -0.058 11.737 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -24.335 1.517 10.493 1.00 0.00 O ATOM 0 H ASP A 54 -19.747 1.600 9.410 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.316 -0.667 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.286 1.325 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.007 2.293 10.026 1.00 0.00 H new ATOM 843 N ALA A 55 -22.322 1.230 7.340 1.00 0.00 N ATOM 844 CA ALA A 55 -23.162 1.256 6.151 1.00 0.00 C ATOM 845 C ALA A 55 -22.786 0.128 5.198 1.00 0.00 C ATOM 846 O ALA A 55 -23.631 -0.400 4.477 1.00 0.00 O ATOM 847 CB ALA A 55 -23.052 2.604 5.455 1.00 0.00 C ATOM 0 H ALA A 55 -21.700 2.033 7.432 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.197 1.108 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.685 2.608 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.375 3.392 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.017 2.779 5.162 1.00 0.00 H new ATOM 853 N LEU A 56 -21.513 -0.242 5.212 1.00 0.00 N ATOM 854 CA LEU A 56 -21.013 -1.321 4.371 1.00 0.00 C ATOM 855 C LEU A 56 -21.427 -2.669 4.942 1.00 0.00 C ATOM 856 O LEU A 56 -21.828 -3.565 4.208 1.00 0.00 O ATOM 857 CB LEU A 56 -19.485 -1.257 4.240 1.00 0.00 C ATOM 858 CG LEU A 56 -18.925 -0.155 3.331 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.576 -0.202 1.964 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.094 1.220 3.953 1.00 0.00 C ATOM 0 H LEU A 56 -20.803 0.193 5.801 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.448 -1.203 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -19.062 -1.127 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.133 -2.219 3.868 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.857 -0.339 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.163 0.588 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.382 -1.170 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.651 -0.058 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.686 1.976 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.153 1.416 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.564 1.256 4.905 1.00 0.00 H new ATOM 872 N ARG A 57 -21.342 -2.798 6.259 1.00 0.00 N ATOM 873 CA ARG A 57 -21.750 -4.019 6.944 1.00 0.00 C ATOM 874 C ARG A 57 -23.211 -4.352 6.660 1.00 0.00 C ATOM 875 O ARG A 57 -23.606 -5.515 6.645 1.00 0.00 O ATOM 876 CB ARG A 57 -21.531 -3.879 8.450 1.00 0.00 C ATOM 877 CG ARG A 57 -20.069 -3.747 8.834 1.00 0.00 C ATOM 878 CD ARG A 57 -19.895 -3.612 10.337 1.00 0.00 C ATOM 879 NE ARG A 57 -18.487 -3.686 10.739 1.00 0.00 N ATOM 880 CZ ARG A 57 -18.040 -3.354 11.950 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.873 -2.840 12.849 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -16.757 -3.514 12.255 1.00 0.00 N ATOM 0 H ARG A 57 -20.992 -2.067 6.879 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.135 -4.836 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -22.074 -3.005 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.955 -4.747 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.519 -4.619 8.481 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.639 -2.877 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.316 -2.662 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.456 -4.400 10.839 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.809 -4.011 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.855 -2.699 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.530 -2.586 13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.111 -3.892 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.418 -3.259 13.182 1.00 0.00 H new ATOM 896 N LEU A 58 -24.014 -3.327 6.424 1.00 0.00 N ATOM 897 CA LEU A 58 -25.425 -3.526 6.135 1.00 0.00 C ATOM 898 C LEU A 58 -25.696 -3.441 4.635 1.00 0.00 C ATOM 899 O LEU A 58 -26.842 -3.274 4.214 1.00 0.00 O ATOM 900 CB LEU A 58 -26.270 -2.494 6.883 1.00 0.00 C ATOM 901 CG LEU A 58 -26.087 -2.488 8.404 1.00 0.00 C ATOM 902 CD1 LEU A 58 -27.022 -1.478 9.049 1.00 0.00 C ATOM 903 CD2 LEU A 58 -26.325 -3.876 8.980 1.00 0.00 C ATOM 0 H LEU A 58 -23.714 -2.352 6.427 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.702 -4.524 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -26.029 -1.503 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.321 -2.676 6.659 1.00 0.00 H new ATOM 0 HG LEU A 58 -25.059 -2.198 8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.878 -1.487 10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -26.804 -0.482 8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -28.055 -1.739 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -26.190 -3.849 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.341 -4.196 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -25.615 -4.578 8.543 1.00 0.00 H new ATOM 915 N LYS A 59 -24.644 -3.561 3.833 1.00 0.00 N ATOM 916 CA LYS A 59 -24.777 -3.481 2.385 1.00 0.00 C ATOM 917 C LYS A 59 -23.779 -4.408 1.680 1.00 0.00 C ATOM 918 O LYS A 59 -24.144 -5.494 1.229 1.00 0.00 O ATOM 919 CB LYS A 59 -24.591 -2.032 1.914 1.00 0.00 C ATOM 920 CG LYS A 59 -24.695 -1.862 0.410 1.00 0.00 C ATOM 921 CD LYS A 59 -24.205 -0.497 -0.047 1.00 0.00 C ATOM 922 CE LYS A 59 -25.125 0.622 0.412 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.638 1.953 -0.043 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.691 -3.714 4.162 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.781 -3.812 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.341 -1.404 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.616 -1.674 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.112 -2.640 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.732 -1.996 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.202 -0.323 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.132 -0.483 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.129 0.450 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.196 0.612 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.451 2.563 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.071 2.391 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.052 1.836 -0.894 1.00 0.00 H new ATOM 937 N ARG A 60 -22.516 -3.988 1.606 1.00 0.00 N ATOM 938 CA ARG A 60 -21.494 -4.742 0.890 1.00 0.00 C ATOM 939 C ARG A 60 -20.294 -4.999 1.796 1.00 0.00 C ATOM 940 O ARG A 60 -19.440 -4.128 1.961 1.00 0.00 O ATOM 941 CB ARG A 60 -21.007 -3.971 -0.346 1.00 0.00 C ATOM 942 CG ARG A 60 -22.104 -3.450 -1.267 1.00 0.00 C ATOM 943 CD ARG A 60 -22.897 -4.567 -1.928 1.00 0.00 C ATOM 944 NE ARG A 60 -23.819 -4.036 -2.936 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.796 -4.740 -3.516 1.00 0.00 C ATOM 946 NH1 ARG A 60 -25.044 -5.992 -3.144 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.546 -4.176 -4.455 1.00 0.00 N ATOM 0 H ARG A 60 -22.178 -3.127 2.035 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.941 -5.686 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.405 -3.126 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.350 -4.622 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.783 -2.818 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.657 -2.822 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -22.213 -5.276 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -23.458 -5.116 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.707 -3.061 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.486 -6.426 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.792 -6.519 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.376 -3.209 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.293 -4.710 -4.900 1.00 0.00 H new ATOM 961 N GLN A 61 -20.231 -6.181 2.390 1.00 0.00 N ATOM 962 CA GLN A 61 -19.066 -6.563 3.174 1.00 0.00 C ATOM 963 C GLN A 61 -18.089 -7.310 2.281 1.00 0.00 C ATOM 964 O GLN A 61 -18.417 -8.372 1.767 1.00 0.00 O ATOM 965 CB GLN A 61 -19.461 -7.461 4.347 1.00 0.00 C ATOM 966 CG GLN A 61 -20.648 -6.953 5.152 1.00 0.00 C ATOM 967 CD GLN A 61 -21.104 -7.953 6.196 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.318 -8.748 6.693 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.376 -7.920 6.542 1.00 0.00 N ATOM 0 H GLN A 61 -20.966 -6.887 2.345 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.605 -5.659 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.694 -8.455 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.604 -7.567 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.379 -6.017 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.475 -6.733 4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.005 -7.244 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.731 -8.570 7.243 1.00 0.00 H new ATOM 978 N GLY A 62 -16.909 -6.750 2.069 1.00 0.00 N ATOM 979 CA GLY A 62 -15.930 -7.421 1.242 1.00 0.00 C ATOM 980 C GLY A 62 -14.502 -7.017 1.539 1.00 0.00 C ATOM 981 O GLY A 62 -14.159 -5.841 1.497 1.00 0.00 O ATOM 0 H GLY A 62 -16.613 -5.851 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.029 -8.498 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.147 -7.211 0.195 1.00 0.00 H new ATOM 985 N VAL A 63 -13.668 -8.004 1.820 1.00 0.00 N ATOM 986 CA VAL A 63 -12.251 -7.770 2.046 1.00 0.00 C ATOM 987 C VAL A 63 -11.450 -8.202 0.822 1.00 0.00 C ATOM 988 O VAL A 63 -11.669 -9.281 0.263 1.00 0.00 O ATOM 989 CB VAL A 63 -11.732 -8.500 3.312 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.011 -9.994 3.248 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.245 -8.244 3.510 1.00 0.00 C ATOM 0 H VAL A 63 -13.950 -8.981 1.897 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.117 -6.701 2.211 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.272 -8.096 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.634 -10.474 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.085 -10.160 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.514 -10.420 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.902 -8.765 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.694 -8.609 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.072 -7.174 3.625 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.537 -7.346 0.399 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.781 -7.598 -0.804 1.00 0.00 C ATOM 1003 C GLY A 64 -8.487 -6.825 -0.819 1.00 0.00 C ATOM 1004 O GLY A 64 -8.283 -5.937 0.000 1.00 0.00 O ATOM 0 H GLY A 64 -10.305 -6.473 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.569 -8.664 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.379 -7.325 -1.674 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.613 -7.151 -1.746 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.343 -6.460 -1.853 1.00 0.00 C ATOM 1010 C GLN A 65 -6.416 -5.424 -2.953 1.00 0.00 C ATOM 1011 O GLN A 65 -7.016 -5.656 -4.006 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.218 -7.442 -2.151 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.911 -8.378 -1.000 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.641 -9.173 -1.218 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.262 -9.468 -2.351 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.978 -9.531 -0.134 1.00 0.00 N ATOM 0 H GLN A 65 -7.756 -7.888 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.135 -5.971 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.485 -8.032 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.317 -6.884 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.820 -7.799 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.746 -9.065 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.326 -9.266 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.118 -10.072 -0.218 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.811 -4.284 -2.696 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.902 -3.141 -3.577 1.00 0.00 C ATOM 1027 C VAL A 66 -4.500 -2.619 -3.890 1.00 0.00 C ATOM 1028 O VAL A 66 -3.779 -2.170 -2.999 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.789 -2.066 -2.898 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.749 -0.725 -3.600 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.222 -2.562 -2.821 1.00 0.00 C ATOM 0 H VAL A 66 -5.240 -4.124 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.362 -3.416 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.384 -1.908 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.391 -0.019 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.726 -0.349 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.101 -0.840 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.844 -1.805 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.594 -2.756 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.258 -3.482 -2.237 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.102 -2.729 -5.153 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.762 -2.345 -5.566 1.00 0.00 C ATOM 1043 C ARG A 67 -2.819 -1.039 -6.337 1.00 0.00 C ATOM 1044 O ARG A 67 -3.600 -0.901 -7.278 1.00 0.00 O ATOM 1045 CB ARG A 67 -2.110 -3.442 -6.424 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.663 -3.139 -6.784 1.00 0.00 C ATOM 1047 CD ARG A 67 0.045 -4.335 -7.404 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.406 -4.621 -8.764 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.385 -5.136 -9.709 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.659 -5.397 -9.443 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.090 -5.381 -10.922 1.00 0.00 N ATOM 0 H ARG A 67 -4.691 -3.082 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.151 -2.211 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.153 -4.389 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.687 -3.569 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.633 -2.301 -7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.126 -2.827 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.119 -4.150 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.121 -5.213 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.376 -4.417 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.036 -5.204 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.261 -5.790 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.065 -5.176 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.520 -5.774 -11.639 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.994 -0.091 -5.940 1.00 0.00 N ATOM 1066 CA PHE A 68 -2.041 1.236 -6.514 1.00 0.00 C ATOM 1067 C PHE A 68 -0.673 1.890 -6.558 1.00 0.00 C ATOM 1068 O PHE A 68 0.208 1.584 -5.755 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.016 2.129 -5.735 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.078 1.866 -4.256 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.933 1.851 -3.475 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.299 1.646 -3.647 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.010 1.618 -2.117 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.383 1.412 -2.292 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.239 1.399 -1.526 1.00 0.00 C ATOM 0 H PHE A 68 -1.282 -0.217 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.391 1.124 -7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.735 3.170 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.014 2.002 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.971 2.023 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.200 1.658 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.112 1.607 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.344 1.239 -1.831 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.303 1.218 -0.463 1.00 0.00 H new ATOM 1085 N THR A 69 -0.509 2.765 -7.532 1.00 0.00 N ATOM 1086 CA THR A 69 0.640 3.645 -7.604 1.00 0.00 C ATOM 1087 C THR A 69 0.218 5.002 -7.078 1.00 0.00 C ATOM 1088 O THR A 69 -0.777 5.571 -7.535 1.00 0.00 O ATOM 1089 CB THR A 69 1.155 3.778 -9.045 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.238 2.481 -9.653 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.522 4.431 -9.059 1.00 0.00 C ATOM 0 H THR A 69 -1.172 2.885 -8.298 1.00 0.00 H new ATOM 0 HA THR A 69 1.452 3.231 -7.007 1.00 0.00 H new ATOM 0 HB THR A 69 0.459 4.401 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.565 2.571 -10.572 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.873 4.518 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.456 5.423 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.222 3.822 -8.487 1.00 0.00 H new ATOM 1099 N LEU A 70 0.947 5.501 -6.102 1.00 0.00 N ATOM 1100 CA LEU A 70 0.522 6.680 -5.378 1.00 0.00 C ATOM 1101 C LEU A 70 1.481 7.836 -5.575 1.00 0.00 C ATOM 1102 O LEU A 70 2.700 7.669 -5.522 1.00 0.00 O ATOM 1103 CB LEU A 70 0.401 6.337 -3.902 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.499 5.138 -3.618 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.376 4.714 -2.167 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.944 5.464 -3.975 1.00 0.00 C ATOM 0 H LEU A 70 1.836 5.109 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.446 6.997 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.395 6.135 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.013 7.205 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.177 4.303 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.025 3.858 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.657 4.439 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.672 5.540 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.574 4.599 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.283 6.312 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.010 5.714 -5.034 1.00 0.00 H new ATOM 1118 N ASP A 71 0.912 9.002 -5.829 1.00 0.00 N ATOM 1119 CA ASP A 71 1.686 10.221 -5.985 1.00 0.00 C ATOM 1120 C ASP A 71 2.191 10.701 -4.636 1.00 0.00 C ATOM 1121 O ASP A 71 1.572 10.412 -3.618 1.00 0.00 O ATOM 1122 CB ASP A 71 0.828 11.311 -6.629 1.00 0.00 C ATOM 1123 CG ASP A 71 1.587 12.600 -6.880 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.637 13.457 -5.968 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 2.118 12.770 -7.991 1.00 0.00 O ATOM 0 H ASP A 71 -0.095 9.130 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 71 2.539 10.009 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.431 10.941 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.026 11.520 -5.985 1.00 0.00 H new ATOM 1130 N ARG A 72 3.292 11.435 -4.634 1.00 0.00 N ATOM 1131 CA ARG A 72 3.896 11.940 -3.399 1.00 0.00 C ATOM 1132 C ARG A 72 2.862 12.628 -2.499 1.00 0.00 C ATOM 1133 O ARG A 72 2.859 12.439 -1.280 1.00 0.00 O ATOM 1134 CB ARG A 72 5.014 12.924 -3.744 1.00 0.00 C ATOM 1135 CG ARG A 72 5.618 13.630 -2.545 1.00 0.00 C ATOM 1136 CD ARG A 72 6.471 14.806 -2.987 1.00 0.00 C ATOM 1137 NE ARG A 72 5.700 15.773 -3.773 1.00 0.00 N ATOM 1138 CZ ARG A 72 6.078 17.031 -3.995 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.227 17.478 -3.506 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 5.304 17.841 -4.707 1.00 0.00 N ATOM 0 H ARG A 72 3.795 11.700 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 72 4.300 11.089 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.804 12.388 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.623 13.673 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.824 13.978 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.225 12.929 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.889 15.301 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.311 14.443 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 72 4.816 15.463 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.824 16.858 -2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.514 18.442 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.420 17.500 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.594 18.804 -4.877 1.00 0.00 H new ATOM 1154 N GLN A 73 1.966 13.399 -3.108 1.00 0.00 N ATOM 1155 CA GLN A 73 0.973 14.159 -2.355 1.00 0.00 C ATOM 1156 C GLN A 73 -0.295 13.342 -2.128 1.00 0.00 C ATOM 1157 O GLN A 73 -1.340 13.878 -1.745 1.00 0.00 O ATOM 1158 CB GLN A 73 0.641 15.453 -3.091 1.00 0.00 C ATOM 1159 CG GLN A 73 1.810 16.418 -3.160 1.00 0.00 C ATOM 1160 CD GLN A 73 1.534 17.625 -4.030 1.00 0.00 C ATOM 1161 OE1 GLN A 73 2.448 18.187 -4.631 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.278 18.033 -4.116 1.00 0.00 N ATOM 0 H GLN A 73 1.907 13.514 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 73 1.396 14.398 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.315 15.214 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.197 15.942 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.057 16.753 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.684 15.893 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.454 17.542 -3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.042 18.839 -4.695 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.195 12.045 -2.368 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.311 11.157 -2.146 1.00 0.00 C ATOM 1173 C GLY A 74 -2.351 11.229 -3.236 1.00 0.00 C ATOM 1174 O GLY A 74 -3.545 11.320 -2.959 1.00 0.00 O ATOM 0 H GLY A 74 0.649 11.589 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.944 10.134 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.777 11.400 -1.191 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.903 11.185 -4.472 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.810 11.195 -5.604 1.00 0.00 C ATOM 1180 C HIS A 75 -2.814 9.832 -6.281 1.00 0.00 C ATOM 1181 O HIS A 75 -1.781 9.377 -6.770 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.412 12.300 -6.593 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.185 12.284 -7.878 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.417 12.879 -8.035 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.884 11.731 -9.075 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.842 12.682 -9.269 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.930 11.989 -9.922 1.00 0.00 N ATOM 0 H HIS A 75 -0.915 11.142 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.820 11.404 -5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.549 13.269 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.350 12.204 -6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.984 11.186 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.780 13.030 -9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.993 11.694 -10.896 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.967 9.172 -6.253 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.173 7.924 -6.979 1.00 0.00 C ATOM 1198 C VAL A 76 -3.707 8.036 -8.435 1.00 0.00 C ATOM 1199 O VAL A 76 -4.243 8.822 -9.222 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.664 7.503 -6.930 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.576 8.638 -7.381 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.904 6.261 -7.772 1.00 0.00 C ATOM 0 H VAL A 76 -4.783 9.486 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.571 7.158 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.906 7.269 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.615 8.310 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.438 9.498 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.329 8.918 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.957 5.985 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.631 6.465 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.296 5.440 -7.392 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.683 7.267 -8.777 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.157 7.254 -10.134 1.00 0.00 C ATOM 1214 C LEU A 77 -2.624 6.003 -10.860 1.00 0.00 C ATOM 1215 O LEU A 77 -3.014 6.050 -12.024 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.630 7.305 -10.109 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.038 8.535 -9.430 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.417 8.289 -9.078 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.174 9.761 -10.324 1.00 0.00 C ATOM 0 H LEU A 77 -2.199 6.643 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.529 8.131 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.260 6.414 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.263 7.263 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.592 8.724 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.829 9.174 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.489 7.438 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.980 8.077 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.255 10.628 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.354 9.588 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.228 9.946 -10.530 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.592 4.889 -10.149 1.00 0.00 N ATOM 1232 CA ALA A 78 -3.008 3.611 -10.700 1.00 0.00 C ATOM 1233 C ALA A 78 -3.801 2.839 -9.665 1.00 0.00 C ATOM 1234 O ALA A 78 -3.520 2.951 -8.479 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.797 2.798 -11.134 1.00 0.00 C ATOM 0 H ALA A 78 -2.279 4.845 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.635 3.795 -11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.127 1.844 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.243 3.348 -11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.152 2.619 -10.274 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.789 2.069 -10.108 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.583 1.244 -9.206 1.00 0.00 C ATOM 1243 C VAL A 79 -5.954 -0.077 -9.862 1.00 0.00 C ATOM 1244 O VAL A 79 -6.657 -0.117 -10.874 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.869 1.951 -8.719 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.570 2.873 -7.551 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.530 2.729 -9.848 1.00 0.00 C ATOM 0 H VAL A 79 -5.059 1.999 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.954 1.061 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.562 1.180 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.490 3.359 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.155 2.293 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.850 3.630 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.432 3.215 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.839 3.484 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.793 2.046 -10.655 1.00 0.00 H new ATOM 1257 N THR A 80 -5.473 -1.154 -9.279 1.00 0.00 N ATOM 1258 CA THR A 80 -5.739 -2.482 -9.784 1.00 0.00 C ATOM 1259 C THR A 80 -6.225 -3.378 -8.653 1.00 0.00 C ATOM 1260 O THR A 80 -5.572 -3.479 -7.611 1.00 0.00 O ATOM 1261 CB THR A 80 -4.468 -3.089 -10.409 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.845 -2.128 -11.274 1.00 0.00 O ATOM 1263 CG2 THR A 80 -4.796 -4.351 -11.197 1.00 0.00 C ATOM 0 H THR A 80 -4.888 -1.133 -8.444 1.00 0.00 H new ATOM 0 HA THR A 80 -6.510 -2.411 -10.551 1.00 0.00 H new ATOM 0 HB THR A 80 -3.784 -3.354 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.037 -2.518 -11.668 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.882 -4.759 -11.628 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.245 -5.089 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.497 -4.109 -11.996 1.00 0.00 H new ATOM 1271 N LEU A 81 -7.379 -4.005 -8.836 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.888 -4.918 -7.831 1.00 0.00 C ATOM 1273 C LEU A 81 -7.057 -6.191 -7.814 1.00 0.00 C ATOM 1274 O LEU A 81 -6.963 -6.905 -8.813 1.00 0.00 O ATOM 1275 CB LEU A 81 -9.356 -5.269 -8.067 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.984 -6.119 -6.959 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -10.089 -5.321 -5.667 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.347 -6.639 -7.388 1.00 0.00 C ATOM 0 H LEU A 81 -7.971 -3.899 -9.660 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.815 -4.414 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.927 -4.346 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.443 -5.804 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.338 -6.977 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.538 -5.942 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.094 -5.008 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.711 -4.441 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.776 -7.240 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.006 -5.798 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.237 -7.252 -8.283 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.444 -6.452 -6.676 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.621 -7.636 -6.495 1.00 0.00 C ATOM 1292 C VAL A 82 -6.452 -8.718 -5.826 1.00 0.00 C ATOM 1293 O VAL A 82 -6.351 -9.898 -6.154 1.00 0.00 O ATOM 1294 CB VAL A 82 -4.380 -7.320 -5.637 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -3.125 -7.926 -6.238 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.216 -5.824 -5.484 1.00 0.00 C ATOM 0 H VAL A 82 -6.501 -5.853 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.277 -7.980 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.530 -7.764 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.268 -7.685 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.237 -9.008 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.968 -7.520 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.336 -5.615 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.094 -5.369 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.099 -5.409 -4.999 1.00 0.00 H new ATOM 1306 N SER A 83 -7.283 -8.276 -4.881 1.00 0.00 N ATOM 1307 CA SER A 83 -8.307 -9.110 -4.266 1.00 0.00 C ATOM 1308 C SER A 83 -7.711 -10.234 -3.417 1.00 0.00 C ATOM 1309 O SER A 83 -6.496 -10.330 -3.241 1.00 0.00 O ATOM 1310 CB SER A 83 -9.218 -9.665 -5.357 1.00 0.00 C ATOM 1311 OG SER A 83 -10.377 -10.277 -4.811 1.00 0.00 O ATOM 0 H SER A 83 -7.261 -7.322 -4.521 1.00 0.00 H new ATOM 0 HA SER A 83 -8.889 -8.492 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.514 -8.859 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.669 -10.393 -5.954 1.00 0.00 H new ATOM 0 HG SER A 83 -10.939 -10.620 -5.537 1.00 0.00 H new ATOM 1317 N SER A 84 -8.589 -11.052 -2.858 1.00 0.00 N ATOM 1318 CA SER A 84 -8.194 -12.129 -1.963 1.00 0.00 C ATOM 1319 C SER A 84 -9.244 -13.234 -1.970 1.00 0.00 C ATOM 1320 O SER A 84 -8.948 -14.386 -2.296 1.00 0.00 O ATOM 1321 CB SER A 84 -8.010 -11.593 -0.540 1.00 0.00 C ATOM 1322 OG SER A 84 -7.061 -10.543 -0.512 1.00 0.00 O ATOM 0 H SER A 84 -9.595 -10.988 -3.012 1.00 0.00 H new ATOM 0 HA SER A 84 -7.247 -12.541 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.965 -11.235 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.685 -12.400 0.117 1.00 0.00 H new ATOM 0 HG SER A 84 -7.436 -9.776 -0.031 1.00 0.00 H new ATOM 1328 N ALA A 85 -10.473 -12.869 -1.625 1.00 0.00 N ATOM 1329 CA ALA A 85 -11.562 -13.830 -1.557 1.00 0.00 C ATOM 1330 C ALA A 85 -12.451 -13.749 -2.793 1.00 0.00 C ATOM 1331 O ALA A 85 -12.491 -14.673 -3.599 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.387 -13.605 -0.299 1.00 0.00 C ATOM 0 H ALA A 85 -10.738 -11.913 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.126 -14.828 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.199 -14.332 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.752 -13.725 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.802 -12.597 -0.312 1.00 0.00 H new ATOM 1338 N GLY A 86 -13.147 -12.629 -2.945 1.00 0.00 N ATOM 1339 CA GLY A 86 -14.062 -12.470 -4.054 1.00 0.00 C ATOM 1340 C GLY A 86 -15.053 -11.357 -3.807 1.00 0.00 C ATOM 1341 O GLY A 86 -15.979 -11.508 -3.014 1.00 0.00 O ATOM 0 H GLY A 86 -13.092 -11.827 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.499 -12.260 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.598 -13.404 -4.220 1.00 0.00 H new ATOM 1345 N LEU A 87 -14.850 -10.230 -4.464 1.00 0.00 N ATOM 1346 CA LEU A 87 -15.731 -9.082 -4.279 1.00 0.00 C ATOM 1347 C LEU A 87 -16.418 -8.720 -5.598 1.00 0.00 C ATOM 1348 O LEU A 87 -16.020 -7.766 -6.258 1.00 0.00 O ATOM 1349 CB LEU A 87 -14.962 -7.845 -3.770 1.00 0.00 C ATOM 1350 CG LEU A 87 -13.982 -8.031 -2.596 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -14.582 -8.905 -1.511 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -12.645 -8.585 -3.068 1.00 0.00 C ATOM 0 H LEU A 87 -14.089 -10.081 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.472 -9.367 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.402 -7.432 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.696 -7.094 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.798 -7.046 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.866 -9.017 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.493 -8.441 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.819 -9.886 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.978 -8.703 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.800 -9.553 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.198 -7.896 -3.784 1.00 0.00 H new ATOM 1364 N PRO A 88 -17.459 -9.465 -6.007 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.172 -9.192 -7.258 1.00 0.00 C ATOM 1366 C PRO A 88 -19.055 -7.955 -7.148 1.00 0.00 C ATOM 1367 O PRO A 88 -18.677 -6.869 -7.588 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.023 -10.451 -7.490 1.00 0.00 C ATOM 1369 CG PRO A 88 -18.588 -11.434 -6.449 1.00 0.00 C ATOM 1370 CD PRO A 88 -18.017 -10.629 -5.316 1.00 0.00 C ATOM 0 HA PRO A 88 -17.486 -8.987 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.086 -10.227 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -18.868 -10.849 -8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.429 -12.038 -6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.843 -12.121 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.782 -10.344 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.253 -11.182 -4.770 1.00 0.00 H new ATOM 1378 N SER A 89 -20.218 -8.114 -6.529 1.00 0.00 N ATOM 1379 CA SER A 89 -21.122 -6.996 -6.296 1.00 0.00 C ATOM 1380 C SER A 89 -20.511 -6.021 -5.291 1.00 0.00 C ATOM 1381 O SER A 89 -20.933 -4.872 -5.175 1.00 0.00 O ATOM 1382 CB SER A 89 -22.467 -7.511 -5.787 1.00 0.00 C ATOM 1383 OG SER A 89 -22.949 -8.559 -6.611 1.00 0.00 O ATOM 0 H SER A 89 -20.558 -9.010 -6.178 1.00 0.00 H new ATOM 0 HA SER A 89 -21.281 -6.468 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.361 -7.867 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.190 -6.696 -5.768 1.00 0.00 H new ATOM 0 HG SER A 89 -22.902 -9.407 -6.123 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.516 -6.506 -4.563 1.00 0.00 N ATOM 1390 CA LEU A 90 -18.872 -5.729 -3.516 1.00 0.00 C ATOM 1391 C LEU A 90 -17.944 -4.673 -4.113 1.00 0.00 C ATOM 1392 O LEU A 90 -17.830 -3.572 -3.575 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.084 -6.663 -2.593 1.00 0.00 C ATOM 1394 CG LEU A 90 -18.857 -7.888 -2.107 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -17.903 -8.887 -1.485 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -19.931 -7.473 -1.114 1.00 0.00 C ATOM 0 H LEU A 90 -19.134 -7.445 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 90 -19.642 -5.216 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.190 -7.000 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -17.749 -6.095 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 90 -19.347 -8.362 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -18.461 -9.758 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.167 -9.198 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -17.393 -8.425 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -20.474 -8.355 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.466 -6.983 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -20.624 -6.783 -1.595 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.326 -5.008 -5.247 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.301 -4.164 -5.868 1.00 0.00 C ATOM 1410 C ASP A 91 -16.794 -2.742 -6.097 1.00 0.00 C ATOM 1411 O ASP A 91 -16.148 -1.787 -5.684 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.848 -4.782 -7.198 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.937 -3.874 -8.011 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -13.737 -3.757 -7.676 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -15.412 -3.291 -9.013 1.00 0.00 O ATOM 0 H ASP A 91 -17.520 -5.868 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.457 -4.113 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.328 -5.718 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.727 -5.028 -7.793 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.956 -2.607 -6.715 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.473 -1.290 -7.080 1.00 0.00 C ATOM 1422 C ARG A 92 -18.548 -0.334 -5.882 1.00 0.00 C ATOM 1423 O ARG A 92 -18.077 0.794 -5.970 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.841 -1.413 -7.761 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.909 -2.087 -6.914 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.604 -3.200 -7.677 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.295 -2.715 -8.869 1.00 0.00 N ATOM 1428 CZ ARG A 92 -22.390 -3.411 -10.002 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -21.743 -4.564 -10.129 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.103 -2.944 -11.017 1.00 0.00 N ATOM 0 H ARG A 92 -18.560 -3.387 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.765 -0.858 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.187 -0.416 -8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.722 -1.975 -8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.455 -2.493 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.644 -1.347 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -20.869 -3.951 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.321 -3.693 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 92 -22.729 -1.793 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -21.174 -4.917 -9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.816 -5.097 -10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -23.583 -2.048 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.172 -3.481 -11.881 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.118 -0.785 -4.768 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.334 0.094 -3.617 1.00 0.00 C ATOM 1446 C GLU A 93 -18.049 0.326 -2.813 1.00 0.00 C ATOM 1447 O GLU A 93 -17.619 1.475 -2.612 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.413 -0.495 -2.707 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.867 0.443 -1.600 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.692 1.609 -2.113 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -21.113 2.663 -2.445 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -22.933 1.478 -2.172 1.00 0.00 O ATOM 0 H GLU A 93 -19.437 -1.745 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.658 1.060 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.276 -0.769 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.034 -1.413 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.454 -0.119 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.992 0.827 -1.075 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.420 -0.765 -2.380 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.293 -0.672 -1.457 1.00 0.00 C ATOM 1461 C ILE A 94 -15.087 -0.049 -2.135 1.00 0.00 C ATOM 1462 O ILE A 94 -14.303 0.673 -1.515 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.900 -2.048 -0.861 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.378 -2.996 -1.947 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.091 -2.669 -0.138 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.888 -4.326 -1.415 1.00 0.00 C ATOM 0 H ILE A 94 -17.670 -1.716 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.619 -0.033 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.095 -1.888 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.172 -3.176 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.564 -2.507 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.802 -3.635 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.411 -2.010 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.912 -2.807 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.535 -4.941 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.071 -4.158 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.705 -4.837 -0.906 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.936 -0.326 -3.413 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.858 0.239 -4.169 1.00 0.00 C ATOM 1480 C GLN A 95 -14.220 1.621 -4.684 1.00 0.00 C ATOM 1481 O GLN A 95 -13.361 2.379 -5.097 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.511 -0.657 -5.330 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.148 -2.085 -4.937 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.836 -2.181 -4.195 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.932 -1.372 -4.395 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.717 -3.185 -3.342 1.00 0.00 N ATOM 0 H GLN A 95 -15.552 -0.942 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.995 0.328 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.357 -0.686 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.674 -0.219 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.942 -2.497 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.096 -2.700 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.492 -3.834 -3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.850 -3.311 -2.820 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.492 1.947 -4.697 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.891 3.284 -5.113 1.00 0.00 C ATOM 1497 C ALA A 96 -15.175 4.322 -4.267 1.00 0.00 C ATOM 1498 O ALA A 96 -14.440 5.159 -4.791 1.00 0.00 O ATOM 1499 CB ALA A 96 -17.396 3.477 -5.002 1.00 0.00 C ATOM 0 H ALA A 96 -16.257 1.326 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.613 3.407 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.658 4.486 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.904 2.752 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.706 3.331 -3.967 1.00 0.00 H new ATOM 1505 N LEU A 97 -15.324 4.223 -2.953 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.660 5.181 -2.081 1.00 0.00 C ATOM 1507 C LEU A 97 -13.157 4.893 -1.942 1.00 0.00 C ATOM 1508 O LEU A 97 -12.340 5.796 -2.103 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.388 5.362 -0.720 1.00 0.00 C ATOM 1510 CG LEU A 97 -15.388 4.227 0.329 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.834 2.881 -0.218 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.057 4.142 1.060 1.00 0.00 C ATOM 0 H LEU A 97 -15.881 3.512 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.731 6.152 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.959 6.242 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.430 5.595 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 97 -16.150 4.498 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.807 2.137 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.850 2.963 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.165 2.575 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.094 3.333 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.260 3.948 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.862 5.084 1.572 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.792 3.643 -1.674 1.00 0.00 N ATOM 1525 CA VAL A 98 -11.373 3.280 -1.509 1.00 0.00 C ATOM 1526 C VAL A 98 -10.571 3.321 -2.822 1.00 0.00 C ATOM 1527 O VAL A 98 -9.503 3.930 -2.878 1.00 0.00 O ATOM 1528 CB VAL A 98 -11.211 1.878 -0.871 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.762 1.416 -0.943 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.677 1.891 0.578 1.00 0.00 C ATOM 0 H VAL A 98 -13.444 2.866 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.967 4.041 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.830 1.180 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.672 0.429 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.447 1.366 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.128 2.122 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.555 0.897 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.082 2.607 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.728 2.178 0.620 1.00 0.00 H new ATOM 1540 N LYS A 99 -11.082 2.692 -3.878 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.327 2.562 -5.128 1.00 0.00 C ATOM 1542 C LYS A 99 -10.282 3.899 -5.876 1.00 0.00 C ATOM 1543 O LYS A 99 -9.479 4.074 -6.792 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.917 1.455 -6.032 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.997 1.029 -7.173 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.714 0.165 -8.205 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.136 -1.180 -7.630 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.865 -2.013 -8.627 1.00 0.00 N1+ ATOM 0 H LYS A 99 -12.009 2.266 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.308 2.274 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.146 0.583 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.860 1.807 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.594 1.916 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.150 0.477 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.593 0.694 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.058 0.004 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.254 -1.719 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.772 -1.018 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.404 -2.753 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.518 -1.413 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.182 -2.456 -9.275 1.00 0.00 H new ATOM 1562 N ARG A 100 -11.158 4.839 -5.517 1.00 0.00 N ATOM 1563 CA ARG A 100 -11.051 6.185 -6.065 1.00 0.00 C ATOM 1564 C ARG A 100 -10.133 7.043 -5.207 1.00 0.00 C ATOM 1565 O ARG A 100 -9.245 7.725 -5.720 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.422 6.848 -6.193 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.365 8.273 -6.731 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.591 8.350 -8.041 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.174 7.495 -9.072 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.995 7.667 -10.379 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -11.244 8.663 -10.833 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -12.561 6.829 -11.234 1.00 0.00 N ATOM 0 H ARG A 100 -11.930 4.696 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.623 6.099 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.047 6.245 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.904 6.857 -5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.378 8.645 -6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.896 8.922 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.575 9.382 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.556 8.055 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.757 6.714 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.798 9.305 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.113 8.786 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.131 6.056 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.427 6.956 -12.237 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.338 7.006 -3.901 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.531 7.803 -2.996 1.00 0.00 C ATOM 1588 C ALA A 101 -8.333 7.012 -2.498 1.00 0.00 C ATOM 1589 O ALA A 101 -8.254 6.662 -1.320 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.365 8.307 -1.830 1.00 0.00 C ATOM 0 H ALA A 101 -11.052 6.436 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.160 8.667 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.739 8.902 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.182 8.923 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.773 7.458 -1.281 1.00 0.00 H new ATOM 1596 N SER A 102 -7.409 6.719 -3.404 1.00 0.00 N ATOM 1597 CA SER A 102 -6.180 6.037 -3.042 1.00 0.00 C ATOM 1598 C SER A 102 -5.068 7.054 -2.810 1.00 0.00 C ATOM 1599 O SER A 102 -4.473 7.579 -3.754 1.00 0.00 O ATOM 1600 CB SER A 102 -5.791 5.032 -4.126 1.00 0.00 C ATOM 1601 OG SER A 102 -6.875 4.163 -4.412 1.00 0.00 O ATOM 0 H SER A 102 -7.490 6.945 -4.395 1.00 0.00 H new ATOM 0 HA SER A 102 -6.338 5.486 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.494 5.562 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.929 4.451 -3.799 1.00 0.00 H new ATOM 0 HG SER A 102 -7.560 4.256 -3.718 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.803 7.370 -1.536 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.852 8.383 -1.134 1.00 0.00 C ATOM 1609 C PRO A 103 -2.521 7.815 -0.638 1.00 0.00 C ATOM 1610 O PRO A 103 -2.348 6.604 -0.515 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.605 9.038 0.015 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.418 7.931 0.631 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.446 6.789 -0.360 1.00 0.00 C ATOM 0 HA PRO A 103 -3.563 9.040 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.917 9.473 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.244 9.845 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.977 7.610 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.429 8.274 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.904 5.919 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.464 6.463 -0.574 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.595 8.713 -0.332 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.265 8.345 0.131 1.00 0.00 C ATOM 1623 C LEU A 104 0.193 9.341 1.194 1.00 0.00 C ATOM 1624 O LEU A 104 0.836 10.342 0.878 1.00 0.00 O ATOM 1625 CB LEU A 104 0.707 8.343 -1.056 1.00 0.00 C ATOM 1626 CG LEU A 104 2.149 7.923 -0.755 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.223 6.451 -0.365 1.00 0.00 C ATOM 1628 CD2 LEU A 104 3.033 8.193 -1.959 1.00 0.00 C ATOM 0 H LEU A 104 -1.746 9.720 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.287 7.347 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.310 7.677 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.725 9.345 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 104 2.506 8.513 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.258 6.181 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.618 6.280 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.846 5.838 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.056 7.891 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.666 7.625 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.012 9.257 -2.194 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.183 9.111 2.468 1.00 0.00 N ATOM 1641 CA PRO A 105 0.199 9.999 3.569 1.00 0.00 C ATOM 1642 C PRO A 105 1.709 10.120 3.729 1.00 0.00 C ATOM 1643 O PRO A 105 2.250 11.225 3.749 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.410 9.356 4.816 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.858 7.992 4.415 1.00 0.00 C ATOM 1646 CD PRO A 105 -1.019 7.989 2.921 1.00 0.00 C ATOM 0 HA PRO A 105 -0.157 11.013 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.322 9.302 5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.248 9.946 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.128 7.243 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.800 7.739 4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.689 7.045 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.061 8.126 2.632 1.00 0.00 H new ATOM 1654 N THR A 106 2.383 8.987 3.856 1.00 0.00 N ATOM 1655 CA THR A 106 3.831 8.982 3.963 1.00 0.00 C ATOM 1656 C THR A 106 4.455 9.107 2.577 1.00 0.00 C ATOM 1657 O THR A 106 4.249 8.240 1.736 1.00 0.00 O ATOM 1658 CB THR A 106 4.349 7.686 4.622 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.664 7.444 5.864 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.849 7.768 4.872 1.00 0.00 C ATOM 0 H THR A 106 1.951 8.063 3.887 1.00 0.00 H new ATOM 0 HA THR A 106 4.115 9.829 4.587 1.00 0.00 H new ATOM 0 HB THR A 106 4.152 6.860 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.002 6.618 6.269 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.191 6.844 5.337 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.368 7.912 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.062 8.608 5.534 1.00 0.00 H new ATOM 1668 N PRO A 107 5.198 10.198 2.315 1.00 0.00 N ATOM 1669 CA PRO A 107 5.912 10.391 1.053 1.00 0.00 C ATOM 1670 C PRO A 107 7.184 9.545 1.005 1.00 0.00 C ATOM 1671 O PRO A 107 8.221 9.930 1.552 1.00 0.00 O ATOM 1672 CB PRO A 107 6.260 11.890 1.043 1.00 0.00 C ATOM 1673 CG PRO A 107 5.610 12.474 2.260 1.00 0.00 C ATOM 1674 CD PRO A 107 5.393 11.334 3.214 1.00 0.00 C ATOM 0 HA PRO A 107 5.316 10.090 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.339 12.040 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.892 12.370 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.243 13.240 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.664 12.951 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.249 11.188 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.525 11.499 3.852 1.00 0.00 H new ATOM 1682 N PRO A 108 7.124 8.390 0.333 1.00 0.00 N ATOM 1683 CA PRO A 108 8.191 7.402 0.344 1.00 0.00 C ATOM 1684 C PRO A 108 9.189 7.615 -0.783 1.00 0.00 C ATOM 1685 O PRO A 108 9.295 6.796 -1.698 1.00 0.00 O ATOM 1686 CB PRO A 108 7.405 6.114 0.136 1.00 0.00 C ATOM 1687 CG PRO A 108 6.318 6.504 -0.811 1.00 0.00 C ATOM 1688 CD PRO A 108 6.009 7.955 -0.526 1.00 0.00 C ATOM 0 HA PRO A 108 8.798 7.429 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.033 5.326 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.000 5.737 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.636 6.370 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.434 5.882 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.959 8.541 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.049 8.068 -0.023 1.00 0.00 H new ATOM 1696 N ALA A 109 9.917 8.718 -0.721 1.00 0.00 N ATOM 1697 CA ALA A 109 10.936 9.006 -1.718 1.00 0.00 C ATOM 1698 C ALA A 109 11.950 7.876 -1.763 1.00 0.00 C ATOM 1699 O ALA A 109 12.268 7.348 -2.826 1.00 0.00 O ATOM 1700 CB ALA A 109 11.613 10.333 -1.421 1.00 0.00 C ATOM 0 H ALA A 109 9.822 9.427 0.006 1.00 0.00 H new ATOM 0 HA ALA A 109 10.462 9.085 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.372 10.531 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.871 11.131 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.083 10.290 -0.438 1.00 0.00 H new ATOM 1706 N ASP A 110 12.381 7.454 -0.583 1.00 0.00 N ATOM 1707 CA ASP A 110 13.364 6.385 -0.439 1.00 0.00 C ATOM 1708 C ASP A 110 12.803 5.035 -0.894 1.00 0.00 C ATOM 1709 O ASP A 110 13.524 4.039 -0.955 1.00 0.00 O ATOM 1710 CB ASP A 110 13.814 6.288 1.023 1.00 0.00 C ATOM 1711 CG ASP A 110 12.672 5.936 1.960 1.00 0.00 C ATOM 1712 OD1 ASP A 110 11.812 6.808 2.202 1.00 0.00 O ATOM 1713 OD2 ASP A 110 12.633 4.792 2.458 1.00 0.00 O1- ATOM 0 H ASP A 110 12.060 7.842 0.304 1.00 0.00 H new ATOM 0 HA ASP A 110 14.215 6.627 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.597 5.534 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.251 7.238 1.329 1.00 0.00 H new ATOM 1718 N ALA A 111 11.518 5.010 -1.213 1.00 0.00 N ATOM 1719 CA ALA A 111 10.855 3.785 -1.624 1.00 0.00 C ATOM 1720 C ALA A 111 10.683 3.724 -3.136 1.00 0.00 C ATOM 1721 O ALA A 111 10.805 2.660 -3.740 1.00 0.00 O ATOM 1722 CB ALA A 111 9.500 3.674 -0.947 1.00 0.00 C ATOM 0 H ALA A 111 10.912 5.830 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 111 11.484 2.948 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.011 2.752 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.634 3.663 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.882 4.527 -1.228 1.00 0.00 H new ATOM 1728 N TYR A 112 10.421 4.869 -3.754 1.00 0.00 N ATOM 1729 CA TYR A 112 10.068 4.886 -5.165 1.00 0.00 C ATOM 1730 C TYR A 112 11.118 5.537 -6.030 1.00 0.00 C ATOM 1731 O TYR A 112 10.833 5.946 -7.155 1.00 0.00 O ATOM 1732 CB TYR A 112 8.699 5.494 -5.426 1.00 0.00 C ATOM 1733 CG TYR A 112 8.428 6.873 -4.869 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.370 7.892 -4.906 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.190 7.147 -4.317 1.00 0.00 C ATOM 1736 CE1 TYR A 112 9.078 9.145 -4.400 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.887 8.386 -3.816 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.836 9.388 -3.855 1.00 0.00 C ATOM 1739 OH TYR A 112 7.543 10.637 -3.353 1.00 0.00 O ATOM 0 H TYR A 112 10.446 5.785 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 112 10.019 3.836 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.548 5.532 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.947 4.815 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.343 7.704 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.445 6.366 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.820 9.929 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.912 8.577 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 112 6.626 10.643 -3.006 1.00 0.00 H new ATOM 1749 N VAL A 113 12.317 5.641 -5.506 1.00 0.00 N ATOM 1750 CA VAL A 113 13.425 6.158 -6.299 1.00 0.00 C ATOM 1751 C VAL A 113 13.772 5.137 -7.378 1.00 0.00 C ATOM 1752 O VAL A 113 14.633 4.269 -7.208 1.00 0.00 O ATOM 1753 CB VAL A 113 14.679 6.471 -5.441 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.529 7.816 -4.755 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.931 5.384 -4.402 1.00 0.00 C ATOM 0 H VAL A 113 12.556 5.381 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 113 13.109 7.101 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 113 15.537 6.504 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.417 8.021 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.410 8.596 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.652 7.799 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.817 5.636 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.070 5.308 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.087 4.429 -4.905 1.00 0.00 H new ATOM 1765 N ASN A 114 13.083 5.300 -8.501 1.00 0.00 N ATOM 1766 CA ASN A 114 13.072 4.355 -9.615 1.00 0.00 C ATOM 1767 C ASN A 114 11.886 4.702 -10.502 1.00 0.00 C ATOM 1768 O ASN A 114 11.887 4.449 -11.705 1.00 0.00 O ATOM 1769 CB ASN A 114 12.941 2.892 -9.137 1.00 0.00 C ATOM 1770 CG ASN A 114 11.501 2.447 -8.890 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.841 1.914 -9.783 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.000 2.649 -7.677 1.00 0.00 N ATOM 0 H ASN A 114 12.498 6.118 -8.668 1.00 0.00 H new ATOM 0 HA ASN A 114 14.016 4.434 -10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.391 2.235 -9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.512 2.769 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.045 2.360 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.570 3.093 -6.957 1.00 0.00 H new ATOM 1779 N GLY A 115 10.871 5.296 -9.874 1.00 0.00 N ATOM 1780 CA GLY A 115 9.667 5.675 -10.577 1.00 0.00 C ATOM 1781 C GLY A 115 8.583 6.160 -9.632 1.00 0.00 C ATOM 1782 O GLY A 115 8.396 7.361 -9.450 1.00 0.00 O ATOM 0 H GLY A 115 10.868 5.521 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.899 6.461 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.296 4.822 -11.146 1.00 0.00 H new ATOM 1786 N THR A 116 7.859 5.220 -9.035 1.00 0.00 N ATOM 1787 CA THR A 116 6.753 5.529 -8.139 1.00 0.00 C ATOM 1788 C THR A 116 6.457 4.302 -7.274 1.00 0.00 C ATOM 1789 O THR A 116 7.075 3.253 -7.470 1.00 0.00 O ATOM 1790 CB THR A 116 5.482 5.935 -8.914 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.805 6.291 -10.265 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.806 7.117 -8.240 1.00 0.00 C ATOM 0 H THR A 116 8.023 4.221 -9.159 1.00 0.00 H new ATOM 0 HA THR A 116 7.044 6.375 -7.517 1.00 0.00 H new ATOM 0 HB THR A 116 4.806 5.080 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.987 6.544 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.911 7.391 -8.799 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.529 6.845 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.492 7.963 -8.216 1.00 0.00 H new ATOM 1800 N VAL A 117 5.533 4.416 -6.322 1.00 0.00 N ATOM 1801 CA VAL A 117 5.225 3.293 -5.448 1.00 0.00 C ATOM 1802 C VAL A 117 3.933 2.618 -5.871 1.00 0.00 C ATOM 1803 O VAL A 117 2.846 3.175 -5.733 1.00 0.00 O ATOM 1804 CB VAL A 117 5.098 3.697 -3.947 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.448 4.021 -3.341 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.142 4.869 -3.750 1.00 0.00 C ATOM 0 H VAL A 117 4.993 5.262 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 117 6.068 2.609 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 117 4.684 2.832 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.320 4.298 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.096 3.147 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.901 4.851 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.084 5.117 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.507 5.733 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.151 4.596 -4.114 1.00 0.00 H new ATOM 1816 N GLU A 118 4.070 1.428 -6.422 1.00 0.00 N ATOM 1817 CA GLU A 118 2.929 0.582 -6.683 1.00 0.00 C ATOM 1818 C GLU A 118 2.970 -0.576 -5.706 1.00 0.00 C ATOM 1819 O GLU A 118 3.868 -1.415 -5.765 1.00 0.00 O ATOM 1820 CB GLU A 118 2.936 0.060 -8.122 1.00 0.00 C ATOM 1821 CG GLU A 118 1.687 -0.725 -8.478 1.00 0.00 C ATOM 1822 CD GLU A 118 1.770 -1.378 -9.843 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.626 -2.263 -10.034 1.00 0.00 O1- ATOM 1824 OE2 GLU A 118 0.977 -1.003 -10.729 1.00 0.00 O ATOM 0 H GLU A 118 4.966 1.026 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 118 2.014 1.160 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.036 0.902 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.810 -0.575 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.519 -1.493 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.825 -0.058 -8.452 1.00 0.00 H new ATOM 1831 N LEU A 119 2.016 -0.609 -4.801 1.00 0.00 N ATOM 1832 CA LEU A 119 2.030 -1.594 -3.740 1.00 0.00 C ATOM 1833 C LEU A 119 0.650 -2.187 -3.534 1.00 0.00 C ATOM 1834 O LEU A 119 -0.362 -1.558 -3.849 1.00 0.00 O ATOM 1835 CB LEU A 119 2.529 -0.968 -2.437 1.00 0.00 C ATOM 1836 CG LEU A 119 1.779 0.288 -1.987 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.476 0.208 -0.508 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.593 1.536 -2.295 1.00 0.00 C ATOM 0 H LEU A 119 1.223 0.032 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 119 2.710 -2.394 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.462 -1.714 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.584 -0.720 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 119 0.839 0.349 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.942 1.106 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.858 -0.668 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.409 0.128 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.044 2.419 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.547 1.487 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.773 1.598 -3.368 1.00 0.00 H new ATOM 1850 N THR A 120 0.626 -3.400 -3.014 1.00 0.00 N ATOM 1851 CA THR A 120 -0.613 -4.093 -2.736 1.00 0.00 C ATOM 1852 C THR A 120 -0.987 -3.959 -1.264 1.00 0.00 C ATOM 1853 O THR A 120 -0.290 -4.471 -0.385 1.00 0.00 O ATOM 1854 CB THR A 120 -0.497 -5.587 -3.095 1.00 0.00 C ATOM 1855 OG1 THR A 120 -0.232 -5.738 -4.497 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.768 -6.334 -2.726 1.00 0.00 C ATOM 0 H THR A 120 1.464 -3.930 -2.774 1.00 0.00 H new ATOM 0 HA THR A 120 -1.391 -3.637 -3.348 1.00 0.00 H new ATOM 0 HB THR A 120 0.330 -6.011 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 120 -0.158 -6.691 -4.715 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.661 -7.386 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.945 -6.244 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.611 -5.908 -3.270 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.076 -3.258 -1.001 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.584 -3.127 0.350 1.00 0.00 C ATOM 1866 C LEU A 121 -3.966 -3.729 0.448 1.00 0.00 C ATOM 1867 O LEU A 121 -4.865 -3.367 -0.308 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.617 -1.662 0.780 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.244 -1.023 0.957 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.371 0.379 1.526 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.373 -1.887 1.853 1.00 0.00 C ATOM 0 H LEU A 121 -2.626 -2.770 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.914 -3.665 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.176 -1.092 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.163 -1.585 1.720 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.770 -0.949 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.379 0.815 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.960 0.995 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.865 0.334 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.604 -1.419 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.846 -1.991 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.252 -2.872 1.402 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.152 -4.683 1.359 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.453 -5.287 1.586 1.00 0.00 C ATOM 1885 C PRO A 122 -6.382 -4.333 2.323 1.00 0.00 C ATOM 1886 O PRO A 122 -6.102 -3.917 3.449 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.145 -6.521 2.453 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.653 -6.638 2.478 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.122 -5.260 2.224 1.00 0.00 C ATOM 0 HA PRO A 122 -5.960 -5.539 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.545 -6.401 3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.601 -7.418 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.308 -7.017 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.304 -7.336 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.003 -4.694 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.148 -5.283 1.736 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.484 -3.989 1.682 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.497 -3.165 2.308 1.00 0.00 C ATOM 1899 C ILE A 123 -9.540 -4.091 2.934 1.00 0.00 C ATOM 1900 O ILE A 123 -10.179 -4.891 2.241 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.154 -2.178 1.294 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.975 -2.921 0.246 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.084 -1.334 0.591 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.850 -2.014 -0.589 1.00 0.00 C ATOM 0 H ILE A 123 -7.699 -4.269 0.725 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.035 -2.545 3.077 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.818 -1.526 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.300 -3.468 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.602 -3.660 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.562 -0.652 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.528 -0.760 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.400 -1.989 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.405 -2.610 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.550 -1.486 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.227 -1.291 -1.116 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.675 -4.045 4.247 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.521 -5.018 4.916 1.00 0.00 C ATOM 1918 C ASP A 124 -11.886 -4.465 5.272 1.00 0.00 C ATOM 1919 O ASP A 124 -12.021 -3.464 5.976 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.823 -5.548 6.174 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.783 -6.132 7.198 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -11.345 -7.215 6.947 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -10.956 -5.518 8.275 1.00 0.00 O1- ATOM 0 H ASP A 124 -9.224 -3.364 4.858 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.683 -5.834 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.102 -6.313 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.260 -4.738 6.636 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.884 -5.129 4.729 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.244 -5.063 5.209 1.00 0.00 C ATOM 1930 C PHE A 125 -14.592 -6.458 5.706 1.00 0.00 C ATOM 1931 O PHE A 125 -14.342 -7.428 4.990 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.204 -4.649 4.089 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.949 -3.287 3.495 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.785 -3.023 2.788 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.884 -2.275 3.632 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.560 -1.778 2.235 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.663 -1.029 3.078 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.499 -0.779 2.383 1.00 0.00 C ATOM 0 H PHE A 125 -12.767 -5.743 3.923 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.337 -4.319 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.149 -5.391 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.222 -4.673 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.046 -3.801 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.797 -2.462 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.649 -1.587 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -16.403 -0.250 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 125 -14.323 0.197 1.955 1.00 0.00 H new ATOM 1948 N SER A 126 -15.133 -6.579 6.908 1.00 0.00 N ATOM 1949 CA SER A 126 -15.442 -7.894 7.457 1.00 0.00 C ATOM 1950 C SER A 126 -16.420 -8.640 6.553 1.00 0.00 C ATOM 1951 O SER A 126 -17.613 -8.357 6.554 1.00 0.00 O ATOM 1952 CB SER A 126 -16.031 -7.747 8.854 1.00 0.00 C ATOM 1953 OG SER A 126 -15.222 -6.902 9.652 1.00 0.00 O ATOM 0 H SER A 126 -15.366 -5.795 7.517 1.00 0.00 H new ATOM 0 HA SER A 126 -14.519 -8.471 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.039 -7.337 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.116 -8.727 9.323 1.00 0.00 H new ATOM 0 HG SER A 126 -15.617 -6.818 10.545 1.00 0.00 H new ATOM 1959 N LEU A 127 -15.896 -9.595 5.795 1.00 0.00 N ATOM 1960 CA LEU A 127 -16.679 -10.366 4.838 1.00 0.00 C ATOM 1961 C LEU A 127 -17.505 -11.442 5.544 1.00 0.00 C ATOM 1962 O LEU A 127 -17.264 -12.635 5.381 1.00 0.00 O ATOM 1963 CB LEU A 127 -15.741 -11.001 3.798 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.002 -10.596 2.344 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -14.859 -11.025 1.442 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -17.292 -11.209 1.849 1.00 0.00 C ATOM 0 H LEU A 127 -14.911 -9.858 5.827 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.373 -9.694 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.714 -10.738 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.821 -12.085 3.875 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.082 -9.509 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -15.072 -10.724 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -13.935 -10.551 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.747 -12.108 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -17.463 -10.911 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.225 -12.295 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.120 -10.863 2.467 1.00 0.00 H new ATOM 1978 N ARG A 128 -18.477 -11.009 6.337 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.346 -11.921 7.051 1.00 0.00 C ATOM 1980 C ARG A 128 -20.496 -12.356 6.147 1.00 0.00 C ATOM 1981 O ARG A 128 -20.745 -13.547 5.961 1.00 0.00 O ATOM 1982 CB ARG A 128 -19.905 -11.233 8.294 1.00 0.00 C ATOM 1983 CG ARG A 128 -18.860 -10.518 9.137 1.00 0.00 C ATOM 1984 CD ARG A 128 -19.520 -9.642 10.189 1.00 0.00 C ATOM 1985 NE ARG A 128 -18.554 -8.846 10.945 1.00 0.00 N ATOM 1986 CZ ARG A 128 -18.876 -7.774 11.665 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -20.134 -7.354 11.717 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -17.931 -7.124 12.335 1.00 0.00 N ATOM 0 H ARG A 128 -18.680 -10.023 6.499 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.773 -12.798 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.662 -10.512 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -20.407 -11.977 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -18.214 -11.250 9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.225 -9.907 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.235 -8.976 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.085 -10.270 10.877 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.575 -9.129 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -20.860 -7.853 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -20.375 -6.532 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.964 -7.447 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.172 -6.302 12.888 1.00 0.00 H new ATOM 2002 N GLY A 129 -21.190 -11.371 5.589 1.00 0.00 N ATOM 2003 CA GLY A 129 -22.301 -11.641 4.697 1.00 0.00 C ATOM 2004 C GLY A 129 -22.292 -10.720 3.494 1.00 0.00 C ATOM 2005 O GLY A 129 -22.546 -9.520 3.619 1.00 0.00 O ATOM 0 H GLY A 129 -21.000 -10.380 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -22.255 -12.677 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -23.239 -11.523 5.239 1.00 0.00 H new ATOM 2009 N ALA A 130 -22.007 -11.271 2.326 1.00 0.00 N ATOM 2010 CA ALA A 130 -21.842 -10.464 1.129 1.00 0.00 C ATOM 2011 C ALA A 130 -22.762 -10.915 0.006 1.00 0.00 C ATOM 2012 O ALA A 130 -23.384 -11.975 0.080 1.00 0.00 O ATOM 2013 CB ALA A 130 -20.403 -10.532 0.666 1.00 0.00 C ATOM 0 H ALA A 130 -21.885 -12.273 2.181 1.00 0.00 H new ATOM 0 HA ALA A 130 -22.108 -9.438 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.281 -9.926 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.750 -10.152 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -20.141 -11.566 0.444 1.00 0.00 H new ATOM 2019 N GLY A 131 -22.854 -10.089 -1.024 1.00 0.00 N ATOM 2020 CA GLY A 131 -23.613 -10.441 -2.202 1.00 0.00 C ATOM 2021 C GLY A 131 -22.714 -10.966 -3.296 1.00 0.00 C ATOM 2022 O GLY A 131 -22.389 -10.249 -4.245 1.00 0.00 O ATOM 0 H GLY A 131 -22.411 -9.171 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -24.357 -11.195 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -24.156 -9.567 -2.562 1.00 0.00 H new ATOM 2026 N PHE A 132 -22.289 -12.209 -3.147 1.00 0.00 N ATOM 2027 CA PHE A 132 -21.392 -12.834 -4.103 1.00 0.00 C ATOM 2028 C PHE A 132 -22.069 -14.029 -4.762 1.00 0.00 C ATOM 2029 O PHE A 132 -21.956 -14.166 -5.998 1.00 0.00 O ATOM 2030 CB PHE A 132 -20.072 -13.250 -3.430 1.00 0.00 C ATOM 2031 CG PHE A 132 -20.221 -14.212 -2.282 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -20.588 -13.765 -1.023 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -19.976 -15.564 -2.461 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -20.710 -14.647 0.033 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -20.100 -16.451 -1.410 1.00 0.00 C ATOM 2036 CZ PHE A 132 -20.466 -15.991 -0.162 1.00 0.00 C ATOM 2037 OXT PHE A 132 -22.735 -14.805 -4.046 1.00 0.00 O ATOM 0 H PHE A 132 -22.554 -12.809 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 132 -21.153 -12.105 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -19.425 -13.702 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -19.566 -12.354 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -20.781 -12.714 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -19.684 -15.929 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -20.996 -14.285 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -19.911 -17.503 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 132 -20.562 -16.683 0.662 1.00 0.00 H new TER 2047 PHE A 132