USER MOD reduce.3.24.130724 H: found=0, std=0, add=1318, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 153:sc= 0.612 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 165:sc= 0.108 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 TYR OH : rot 108:sc= -2.92! USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 1 SER OG : rot 180:sc= -0.67 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000763 K(o=-0.00076,f=-1.4) USER MOD Single : A 34 GLN : amide:sc= -0.467 K(o=-0.47,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.123) USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.0031 (180deg=-0.114) USER MOD Single : A 38 SER OG : rot -118:sc= -0.243 USER MOD Single : A 39 SER OG : rot 84:sc= 0.735 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.275 K(o=-0.27,f=-0.8) USER MOD Single : A 53 MET CE :methyl 156:sc= -2.69 (180deg=-2.78) USER MOD Single : A 54 GLN : amide:sc= -0.534 K(o=-0.53,f=-4.1!) USER MOD Single : A 56 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-8.8!) USER MOD Single : A 57 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-8.4!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -36:sc= 0.836 USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 THR OG1 : rot 109:sc= 0.904 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0.251 (180deg=0.244) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= -0.0597 (180deg=-0.316) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0503) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 153:sc= 1.08 USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= -0.989 (180deg=-1.42) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot -36:sc= -4.68! USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 139 GLN : amide:sc= -1.75 K(o=-1.8,f=-6.9!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= 0.0246 K(o=0.025,f=-1.9!) USER MOD Single : A 144 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.7) USER MOD Single : A 147 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.53) USER MOD Single : A 155 SER OG : rot 170:sc= -0.571 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0185 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -41.774 -35.738 4.410 1.00 0.00 N ATOM 2 CA GLY A -1 -40.725 -34.682 4.346 1.00 0.00 C ATOM 3 C GLY A -1 -41.067 -33.557 5.334 1.00 0.00 C ATOM 4 O GLY A -1 -42.097 -32.921 5.217 1.00 0.00 O ATOM 0 H1 GLY A -1 -41.542 -36.499 3.741 1.00 0.00 H new ATOM 0 H2 GLY A -1 -41.818 -36.126 5.374 1.00 0.00 H new ATOM 0 H3 GLY A -1 -42.696 -35.327 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -39.751 -35.108 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -40.657 -34.283 3.334 1.00 0.00 H new ATOM 10 N GLY A 0 -40.213 -33.305 6.308 1.00 0.00 N ATOM 11 CA GLY A 0 -40.503 -32.222 7.293 1.00 0.00 C ATOM 12 C GLY A 0 -39.530 -31.055 7.074 1.00 0.00 C ATOM 13 O GLY A 0 -38.961 -30.913 6.007 1.00 0.00 O ATOM 0 H GLY A 0 -39.335 -33.803 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -41.531 -31.878 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -40.406 -32.605 8.309 1.00 0.00 H new ATOM 17 N SER A 1 -39.330 -30.215 8.071 1.00 0.00 N ATOM 18 CA SER A 1 -38.391 -29.066 7.906 1.00 0.00 C ATOM 19 C SER A 1 -37.220 -29.188 8.893 1.00 0.00 C ATOM 20 O SER A 1 -37.354 -29.816 9.924 1.00 0.00 O ATOM 21 CB SER A 1 -39.228 -27.825 8.217 1.00 0.00 C ATOM 22 OG SER A 1 -38.845 -26.769 7.346 1.00 0.00 O ATOM 0 H SER A 1 -39.778 -30.281 8.985 1.00 0.00 H new ATOM 0 HA SER A 1 -37.958 -29.027 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 1 -40.288 -28.047 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 1 -39.084 -27.526 9.255 1.00 0.00 H new ATOM 0 HG SER A 1 -39.381 -25.973 7.542 1.00 0.00 H new ATOM 28 N PRO A 2 -36.099 -28.586 8.551 1.00 0.00 N ATOM 29 CA PRO A 2 -34.914 -28.649 9.442 1.00 0.00 C ATOM 30 C PRO A 2 -35.126 -27.766 10.681 1.00 0.00 C ATOM 31 O PRO A 2 -35.566 -26.636 10.570 1.00 0.00 O ATOM 32 CB PRO A 2 -33.781 -28.105 8.575 1.00 0.00 C ATOM 33 CG PRO A 2 -34.451 -27.236 7.559 1.00 0.00 C ATOM 34 CD PRO A 2 -35.829 -27.803 7.332 1.00 0.00 C ATOM 0 HA PRO A 2 -34.713 -29.653 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -33.067 -27.536 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -33.226 -28.913 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -34.511 -26.207 7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -33.882 -27.221 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -36.567 -27.013 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -35.861 -28.429 6.440 1.00 0.00 H new ATOM 42 N ARG A 3 -34.820 -28.267 11.862 1.00 0.00 N ATOM 43 CA ARG A 3 -35.009 -27.446 13.095 1.00 0.00 C ATOM 44 C ARG A 3 -33.671 -27.277 13.831 1.00 0.00 C ATOM 45 O ARG A 3 -33.367 -28.020 14.746 1.00 0.00 O ATOM 46 CB ARG A 3 -35.995 -28.242 13.952 1.00 0.00 C ATOM 47 CG ARG A 3 -36.331 -27.446 15.214 1.00 0.00 C ATOM 48 CD ARG A 3 -37.048 -28.355 16.216 1.00 0.00 C ATOM 49 NE ARG A 3 -38.505 -28.141 15.955 1.00 0.00 N ATOM 50 CZ ARG A 3 -39.111 -27.020 16.315 1.00 0.00 C ATOM 51 NH1 ARG A 3 -38.457 -26.051 16.915 1.00 0.00 N ATOM 52 NH2 ARG A 3 -40.387 -26.868 16.071 1.00 0.00 N ATOM 0 H ARG A 3 -34.450 -29.205 12.018 1.00 0.00 H new ATOM 0 HA ARG A 3 -35.377 -26.445 12.872 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -36.903 -28.446 13.385 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -35.564 -29.206 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -35.419 -27.046 15.658 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -36.963 -26.595 14.962 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -36.770 -29.399 16.072 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -36.788 -28.095 17.242 1.00 0.00 H new ATOM 0 HE ARG A 3 -39.042 -28.873 15.491 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -37.462 -26.154 17.113 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -38.945 -25.196 17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -40.909 -27.611 15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -40.860 -26.007 16.346 1.00 0.00 H new ATOM 66 N ILE A 4 -32.866 -26.309 13.443 1.00 0.00 N ATOM 67 CA ILE A 4 -31.553 -26.106 14.127 1.00 0.00 C ATOM 68 C ILE A 4 -31.377 -24.623 14.499 1.00 0.00 C ATOM 69 O ILE A 4 -31.728 -23.746 13.731 1.00 0.00 O ATOM 70 CB ILE A 4 -30.496 -26.537 13.105 1.00 0.00 C ATOM 71 CG1 ILE A 4 -30.715 -28.005 12.728 1.00 0.00 C ATOM 72 CG2 ILE A 4 -29.098 -26.377 13.709 1.00 0.00 C ATOM 73 CD1 ILE A 4 -29.842 -28.359 11.522 1.00 0.00 C ATOM 0 H ILE A 4 -33.065 -25.656 12.685 1.00 0.00 H new ATOM 0 HA ILE A 4 -31.475 -26.678 15.052 1.00 0.00 H new ATOM 0 HB ILE A 4 -30.583 -25.912 12.216 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -30.466 -28.649 13.572 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -31.765 -28.178 12.493 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -28.349 -26.685 12.979 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.935 -25.333 13.978 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -29.013 -26.999 14.600 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -29.998 -29.404 11.254 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -30.112 -27.724 10.678 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -28.793 -28.202 11.773 1.00 0.00 H new ATOM 85 N LYS A 5 -30.838 -24.335 15.666 1.00 0.00 N ATOM 86 CA LYS A 5 -30.647 -22.909 16.071 1.00 0.00 C ATOM 87 C LYS A 5 -29.203 -22.680 16.543 1.00 0.00 C ATOM 88 O LYS A 5 -28.751 -23.306 17.484 1.00 0.00 O ATOM 89 CB LYS A 5 -31.629 -22.691 17.223 1.00 0.00 C ATOM 90 CG LYS A 5 -31.592 -21.223 17.653 1.00 0.00 C ATOM 91 CD LYS A 5 -32.333 -20.369 16.623 1.00 0.00 C ATOM 92 CE LYS A 5 -31.677 -18.989 16.536 1.00 0.00 C ATOM 93 NZ LYS A 5 -31.767 -18.611 15.097 1.00 0.00 N ATOM 0 H LYS A 5 -30.525 -25.025 16.349 1.00 0.00 H new ATOM 0 HA LYS A 5 -30.824 -22.218 15.247 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -32.637 -22.965 16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -31.369 -23.334 18.064 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -32.053 -21.109 18.634 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -30.559 -20.886 17.745 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -32.311 -20.856 15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -33.381 -20.268 16.905 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -32.193 -18.266 17.167 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -30.640 -19.023 16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -31.337 -17.674 14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -31.261 -19.314 14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -32.766 -18.581 14.808 1.00 0.00 H new ATOM 107 N THR A 6 -28.473 -21.791 15.900 1.00 0.00 N ATOM 108 CA THR A 6 -27.064 -21.533 16.322 1.00 0.00 C ATOM 109 C THR A 6 -26.823 -20.023 16.478 1.00 0.00 C ATOM 110 O THR A 6 -27.185 -19.246 15.616 1.00 0.00 O ATOM 111 CB THR A 6 -26.202 -22.100 15.191 1.00 0.00 C ATOM 112 OG1 THR A 6 -26.837 -21.849 13.945 1.00 0.00 O ATOM 113 CG2 THR A 6 -26.029 -23.606 15.384 1.00 0.00 C ATOM 0 H THR A 6 -28.796 -21.239 15.106 1.00 0.00 H new ATOM 0 HA THR A 6 -26.830 -21.992 17.283 1.00 0.00 H new ATOM 0 HB THR A 6 -25.223 -21.621 15.204 1.00 0.00 H new ATOM 0 HG1 THR A 6 -26.286 -22.209 13.219 1.00 0.00 H new ATOM 0 HG21 THR A 6 -25.415 -24.008 14.578 1.00 0.00 H new ATOM 0 HG22 THR A 6 -25.542 -23.797 16.340 1.00 0.00 H new ATOM 0 HG23 THR A 6 -27.006 -24.089 15.371 1.00 0.00 H new ATOM 121 N ARG A 7 -26.215 -19.601 17.568 1.00 0.00 N ATOM 122 CA ARG A 7 -25.959 -18.142 17.764 1.00 0.00 C ATOM 123 C ARG A 7 -24.448 -17.872 17.833 1.00 0.00 C ATOM 124 O ARG A 7 -23.845 -17.975 18.886 1.00 0.00 O ATOM 125 CB ARG A 7 -26.625 -17.799 19.097 1.00 0.00 C ATOM 126 CG ARG A 7 -27.179 -16.374 19.040 1.00 0.00 C ATOM 127 CD ARG A 7 -26.023 -15.371 19.110 1.00 0.00 C ATOM 128 NE ARG A 7 -25.774 -14.967 17.693 1.00 0.00 N ATOM 129 CZ ARG A 7 -26.583 -14.126 17.064 1.00 0.00 C ATOM 130 NH1 ARG A 7 -27.635 -13.612 17.661 1.00 0.00 N ATOM 131 NH2 ARG A 7 -26.335 -13.798 15.823 1.00 0.00 N ATOM 0 H ARG A 7 -25.889 -20.204 18.323 1.00 0.00 H new ATOM 0 HA ARG A 7 -26.352 -17.541 16.944 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -27.429 -18.505 19.306 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -25.904 -17.888 19.909 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -27.744 -16.229 18.119 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -27.869 -16.208 19.867 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -26.284 -14.510 19.726 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -25.135 -15.822 19.553 1.00 0.00 H new ATOM 0 HE ARG A 7 -24.965 -15.346 17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -27.843 -13.858 18.629 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -28.243 -12.967 17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -25.523 -14.189 15.345 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -26.953 -13.151 15.333 1.00 0.00 H new ATOM 145 N ARG A 8 -23.827 -17.528 16.721 1.00 0.00 N ATOM 146 CA ARG A 8 -22.359 -17.253 16.738 1.00 0.00 C ATOM 147 C ARG A 8 -22.088 -15.794 16.343 1.00 0.00 C ATOM 148 O ARG A 8 -22.725 -15.262 15.454 1.00 0.00 O ATOM 149 CB ARG A 8 -21.767 -18.208 15.700 1.00 0.00 C ATOM 150 CG ARG A 8 -21.266 -19.475 16.396 1.00 0.00 C ATOM 151 CD ARG A 8 -19.807 -19.282 16.819 1.00 0.00 C ATOM 152 NE ARG A 8 -19.629 -20.172 18.006 1.00 0.00 N ATOM 153 CZ ARG A 8 -19.506 -21.485 17.870 1.00 0.00 C ATOM 154 NH1 ARG A 8 -19.537 -22.056 16.687 1.00 0.00 N ATOM 155 NH2 ARG A 8 -19.350 -22.232 18.932 1.00 0.00 N ATOM 0 H ARG A 8 -24.276 -17.428 15.811 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.922 -17.401 17.725 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.520 -18.464 14.955 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.947 -17.723 15.171 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.883 -19.692 17.268 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.351 -20.329 15.725 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.123 -19.555 16.015 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.603 -18.241 17.072 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.602 -19.761 18.939 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.658 -21.487 15.849 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.440 -23.068 16.607 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.324 -21.804 19.857 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.255 -23.243 18.835 1.00 0.00 H new ATOM 169 N SER A 9 -21.147 -15.138 16.995 1.00 0.00 N ATOM 170 CA SER A 9 -20.847 -13.716 16.648 1.00 0.00 C ATOM 171 C SER A 9 -19.327 -13.495 16.583 1.00 0.00 C ATOM 172 O SER A 9 -18.559 -14.431 16.713 1.00 0.00 O ATOM 173 CB SER A 9 -21.461 -12.895 17.781 1.00 0.00 C ATOM 174 OG SER A 9 -22.842 -12.688 17.516 1.00 0.00 O ATOM 0 H SER A 9 -20.580 -15.529 17.747 1.00 0.00 H new ATOM 0 HA SER A 9 -21.250 -13.433 15.675 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.335 -13.414 18.731 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.949 -11.937 17.871 1.00 0.00 H new ATOM 0 HG SER A 9 -23.239 -12.163 18.242 1.00 0.00 H new ATOM 180 N LYS A 10 -18.883 -12.270 16.384 1.00 0.00 N ATOM 181 CA LYS A 10 -17.409 -12.013 16.313 1.00 0.00 C ATOM 182 C LYS A 10 -17.085 -10.573 16.755 1.00 0.00 C ATOM 183 O LYS A 10 -16.548 -9.798 15.988 1.00 0.00 O ATOM 184 CB LYS A 10 -17.025 -12.235 14.843 1.00 0.00 C ATOM 185 CG LYS A 10 -17.840 -11.306 13.936 1.00 0.00 C ATOM 186 CD LYS A 10 -17.706 -11.769 12.482 1.00 0.00 C ATOM 187 CE LYS A 10 -19.022 -11.516 11.742 1.00 0.00 C ATOM 188 NZ LYS A 10 -19.048 -12.530 10.652 1.00 0.00 N ATOM 0 H LYS A 10 -19.474 -11.447 16.269 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.851 -12.672 16.977 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.960 -12.047 14.705 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.204 -13.274 14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -18.888 -11.313 14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.487 -10.280 14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.892 -11.234 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.456 -12.829 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.878 -11.629 12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.062 -10.503 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.921 -12.422 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.225 -12.393 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.016 -13.484 11.065 1.00 0.00 H new ATOM 202 N PRO A 11 -17.416 -10.254 17.989 1.00 0.00 N ATOM 203 CA PRO A 11 -17.143 -8.892 18.514 1.00 0.00 C ATOM 204 C PRO A 11 -15.639 -8.700 18.753 1.00 0.00 C ATOM 205 O PRO A 11 -14.901 -9.657 18.896 1.00 0.00 O ATOM 206 CB PRO A 11 -17.912 -8.852 19.833 1.00 0.00 C ATOM 207 CG PRO A 11 -18.033 -10.280 20.255 1.00 0.00 C ATOM 208 CD PRO A 11 -18.066 -11.109 18.999 1.00 0.00 C ATOM 0 HA PRO A 11 -17.445 -8.102 17.827 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.381 -8.263 20.581 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.893 -8.394 19.704 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.192 -10.568 20.885 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.939 -10.433 20.842 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.532 -12.050 19.128 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.088 -11.359 18.713 1.00 0.00 H new ATOM 216 N ALA A 12 -15.178 -7.467 18.804 1.00 0.00 N ATOM 217 CA ALA A 12 -13.712 -7.227 19.042 1.00 0.00 C ATOM 218 C ALA A 12 -13.423 -7.226 20.554 1.00 0.00 C ATOM 219 O ALA A 12 -14.232 -6.754 21.328 1.00 0.00 O ATOM 220 CB ALA A 12 -13.390 -5.853 18.430 1.00 0.00 C ATOM 0 H ALA A 12 -15.745 -6.626 18.693 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.099 -8.007 18.590 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.333 -5.628 18.576 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.614 -5.868 17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.994 -5.087 18.917 1.00 0.00 H new ATOM 226 N PRO A 13 -12.281 -7.759 20.938 1.00 0.00 N ATOM 227 CA PRO A 13 -11.921 -7.810 22.379 1.00 0.00 C ATOM 228 C PRO A 13 -11.579 -6.410 22.905 1.00 0.00 C ATOM 229 O PRO A 13 -11.318 -5.501 22.141 1.00 0.00 O ATOM 230 CB PRO A 13 -10.693 -8.716 22.415 1.00 0.00 C ATOM 231 CG PRO A 13 -10.096 -8.612 21.050 1.00 0.00 C ATOM 232 CD PRO A 13 -11.229 -8.356 20.093 1.00 0.00 C ATOM 0 HA PRO A 13 -12.735 -8.176 23.004 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.987 -8.394 23.180 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.968 -9.745 22.648 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.366 -7.803 21.009 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.570 -9.530 20.788 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.930 -7.681 19.291 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.570 -9.278 19.622 1.00 0.00 H new ATOM 240 N ASP A 14 -11.585 -6.230 24.212 1.00 0.00 N ATOM 241 CA ASP A 14 -11.259 -4.871 24.797 1.00 0.00 C ATOM 242 C ASP A 14 -9.966 -4.293 24.186 1.00 0.00 C ATOM 243 O ASP A 14 -9.831 -3.093 24.047 1.00 0.00 O ATOM 244 CB ASP A 14 -11.075 -5.077 26.309 1.00 0.00 C ATOM 245 CG ASP A 14 -12.395 -4.790 27.028 1.00 0.00 C ATOM 246 OD1 ASP A 14 -13.196 -5.703 27.140 1.00 0.00 O ATOM 247 OD2 ASP A 14 -12.580 -3.662 27.454 1.00 0.00 O ATOM 0 H ASP A 14 -11.799 -6.955 24.897 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.059 -4.164 24.580 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.753 -6.099 26.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.293 -4.417 26.684 1.00 0.00 H new ATOM 252 N GLY A 15 -9.015 -5.131 23.815 1.00 0.00 N ATOM 253 CA GLY A 15 -7.742 -4.618 23.212 1.00 0.00 C ATOM 254 C GLY A 15 -8.049 -3.667 22.037 1.00 0.00 C ATOM 255 O GLY A 15 -7.343 -2.698 21.828 1.00 0.00 O ATOM 0 H GLY A 15 -9.070 -6.145 23.906 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.159 -4.094 23.969 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.135 -5.453 22.863 1.00 0.00 H new ATOM 259 N PHE A 16 -9.096 -3.924 21.273 1.00 0.00 N ATOM 260 CA PHE A 16 -9.426 -3.004 20.119 1.00 0.00 C ATOM 261 C PHE A 16 -9.570 -1.551 20.608 1.00 0.00 C ATOM 262 O PHE A 16 -9.251 -0.623 19.889 1.00 0.00 O ATOM 263 CB PHE A 16 -10.759 -3.492 19.526 1.00 0.00 C ATOM 264 CG PHE A 16 -11.093 -2.683 18.293 1.00 0.00 C ATOM 265 CD1 PHE A 16 -10.157 -2.556 17.259 1.00 0.00 C ATOM 266 CD2 PHE A 16 -12.342 -2.058 18.186 1.00 0.00 C ATOM 267 CE1 PHE A 16 -10.468 -1.805 16.120 1.00 0.00 C ATOM 268 CE2 PHE A 16 -12.653 -1.307 17.046 1.00 0.00 C ATOM 269 CZ PHE A 16 -11.716 -1.180 16.013 1.00 0.00 C ATOM 0 H PHE A 16 -9.727 -4.716 21.394 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.631 -3.023 19.374 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.690 -4.550 19.271 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -11.555 -3.393 20.264 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.194 -3.038 17.341 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -13.065 -2.155 18.983 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.745 -1.708 15.323 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.616 -0.825 16.963 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.956 -0.600 15.134 1.00 0.00 H new ATOM 279 N GLU A 17 -10.043 -1.339 21.824 1.00 0.00 N ATOM 280 CA GLU A 17 -10.193 0.076 22.336 1.00 0.00 C ATOM 281 C GLU A 17 -8.858 0.831 22.213 1.00 0.00 C ATOM 282 O GLU A 17 -8.835 2.003 21.890 1.00 0.00 O ATOM 283 CB GLU A 17 -10.605 -0.029 23.813 1.00 0.00 C ATOM 284 CG GLU A 17 -11.060 1.343 24.314 1.00 0.00 C ATOM 285 CD GLU A 17 -11.032 1.363 25.843 1.00 0.00 C ATOM 286 OE1 GLU A 17 -11.371 0.352 26.436 1.00 0.00 O ATOM 287 OE2 GLU A 17 -10.673 2.390 26.396 1.00 0.00 O ATOM 0 H GLU A 17 -10.328 -2.071 22.475 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.938 0.623 21.758 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.410 -0.755 23.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.767 -0.387 24.411 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.408 2.121 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.067 1.557 23.955 1.00 0.00 H new ATOM 294 N LYS A 18 -7.746 0.167 22.460 1.00 0.00 N ATOM 295 CA LYS A 18 -6.416 0.870 22.341 1.00 0.00 C ATOM 296 C LYS A 18 -6.233 1.417 20.916 1.00 0.00 C ATOM 297 O LYS A 18 -5.707 2.499 20.730 1.00 0.00 O ATOM 298 CB LYS A 18 -5.331 -0.176 22.650 1.00 0.00 C ATOM 299 CG LYS A 18 -5.302 -0.452 24.155 1.00 0.00 C ATOM 300 CD LYS A 18 -4.258 0.450 24.819 1.00 0.00 C ATOM 301 CE LYS A 18 -4.356 0.309 26.340 1.00 0.00 C ATOM 302 NZ LYS A 18 -3.396 -0.775 26.687 1.00 0.00 N ATOM 0 H LYS A 18 -7.699 -0.814 22.734 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.355 1.712 23.031 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.533 -1.098 22.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.358 0.185 22.317 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.285 -0.268 24.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.063 -1.499 24.339 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.258 0.177 24.481 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.420 1.488 24.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.097 1.242 26.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.370 0.053 26.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.405 -0.931 27.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.672 -1.652 26.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.439 -0.500 26.387 1.00 0.00 H new ATOM 316 N ILE A 19 -6.672 0.689 19.910 1.00 0.00 N ATOM 317 CA ILE A 19 -6.526 1.188 18.504 1.00 0.00 C ATOM 318 C ILE A 19 -7.912 1.461 17.879 1.00 0.00 C ATOM 319 O ILE A 19 -8.105 1.266 16.694 1.00 0.00 O ATOM 320 CB ILE A 19 -5.784 0.070 17.742 1.00 0.00 C ATOM 321 CG1 ILE A 19 -6.633 -1.218 17.701 1.00 0.00 C ATOM 322 CG2 ILE A 19 -4.442 -0.227 18.429 1.00 0.00 C ATOM 323 CD1 ILE A 19 -6.571 -1.838 16.301 1.00 0.00 C ATOM 0 H ILE A 19 -7.121 -0.222 20.003 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.977 2.129 18.462 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.608 0.409 16.721 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.266 -1.930 18.440 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.667 -0.991 17.963 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.923 -1.017 17.887 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.828 0.674 18.434 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.622 -0.549 19.455 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.172 -2.747 16.279 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.959 -1.128 15.571 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.537 -2.081 16.056 1.00 0.00 H new ATOM 335 N LYS A 20 -8.883 1.896 18.665 1.00 0.00 N ATOM 336 CA LYS A 20 -10.254 2.155 18.092 1.00 0.00 C ATOM 337 C LYS A 20 -10.382 3.550 17.437 1.00 0.00 C ATOM 338 O LYS A 20 -10.972 3.655 16.379 1.00 0.00 O ATOM 339 CB LYS A 20 -11.243 2.024 19.260 1.00 0.00 C ATOM 340 CG LYS A 20 -12.672 1.969 18.716 1.00 0.00 C ATOM 341 CD LYS A 20 -13.275 3.375 18.718 1.00 0.00 C ATOM 342 CE LYS A 20 -14.194 3.541 17.505 1.00 0.00 C ATOM 343 NZ LYS A 20 -14.729 4.926 17.615 1.00 0.00 N ATOM 0 H LYS A 20 -8.787 2.080 19.664 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.457 1.439 17.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.026 1.123 19.834 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.134 2.869 19.939 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.672 1.564 17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.279 1.301 19.327 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.837 3.540 19.638 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.482 4.122 18.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.646 3.402 16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.998 2.805 17.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.369 5.115 16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.251 5.027 18.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.941 5.605 17.596 1.00 0.00 H new ATOM 357 N PRO A 21 -9.866 4.590 18.070 1.00 0.00 N ATOM 358 CA PRO A 21 -9.999 5.951 17.488 1.00 0.00 C ATOM 359 C PRO A 21 -9.016 6.163 16.323 1.00 0.00 C ATOM 360 O PRO A 21 -9.340 6.837 15.363 1.00 0.00 O ATOM 361 CB PRO A 21 -9.673 6.879 18.653 1.00 0.00 C ATOM 362 CG PRO A 21 -8.815 6.075 19.576 1.00 0.00 C ATOM 363 CD PRO A 21 -9.127 4.617 19.343 1.00 0.00 C ATOM 0 HA PRO A 21 -10.989 6.129 17.069 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.150 7.772 18.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.581 7.214 19.154 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.760 6.275 19.388 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.011 6.347 20.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.216 4.022 19.284 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.725 4.205 20.156 1.00 0.00 H new ATOM 371 N THR A 22 -7.821 5.606 16.390 1.00 0.00 N ATOM 372 CA THR A 22 -6.844 5.810 15.257 1.00 0.00 C ATOM 373 C THR A 22 -7.442 5.282 13.945 1.00 0.00 C ATOM 374 O THR A 22 -7.328 5.915 12.911 1.00 0.00 O ATOM 375 CB THR A 22 -5.569 5.027 15.616 1.00 0.00 C ATOM 376 OG1 THR A 22 -5.067 5.489 16.867 1.00 0.00 O ATOM 377 CG2 THR A 22 -4.513 5.247 14.532 1.00 0.00 C ATOM 0 H THR A 22 -7.484 5.031 17.162 1.00 0.00 H new ATOM 0 HA THR A 22 -6.621 6.868 15.119 1.00 0.00 H new ATOM 0 HB THR A 22 -5.802 3.964 15.686 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.256 4.990 17.098 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.610 4.692 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.897 4.896 13.574 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.279 6.309 14.462 1.00 0.00 H new ATOM 385 N LEU A 23 -8.085 4.136 13.975 1.00 0.00 N ATOM 386 CA LEU A 23 -8.694 3.593 12.709 1.00 0.00 C ATOM 387 C LEU A 23 -9.827 4.519 12.245 1.00 0.00 C ATOM 388 O LEU A 23 -9.965 4.787 11.067 1.00 0.00 O ATOM 389 CB LEU A 23 -9.241 2.195 13.041 1.00 0.00 C ATOM 390 CG LEU A 23 -8.083 1.192 13.090 1.00 0.00 C ATOM 391 CD1 LEU A 23 -8.336 0.154 14.195 1.00 0.00 C ATOM 392 CD2 LEU A 23 -7.965 0.488 11.735 1.00 0.00 C ATOM 0 H LEU A 23 -8.215 3.559 14.806 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.960 3.535 11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.761 2.214 13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.969 1.890 12.290 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.155 1.721 13.308 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.509 -0.556 14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.415 0.659 15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.264 -0.379 13.988 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.142 -0.226 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.894 -0.038 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.775 1.227 10.956 1.00 0.00 H new ATOM 404 N THR A 24 -10.634 5.024 13.159 1.00 0.00 N ATOM 405 CA THR A 24 -11.747 5.950 12.738 1.00 0.00 C ATOM 406 C THR A 24 -11.166 7.183 12.026 1.00 0.00 C ATOM 407 O THR A 24 -11.752 7.691 11.088 1.00 0.00 O ATOM 408 CB THR A 24 -12.485 6.375 14.018 1.00 0.00 C ATOM 409 OG1 THR A 24 -12.484 5.296 14.943 1.00 0.00 O ATOM 410 CG2 THR A 24 -13.928 6.757 13.678 1.00 0.00 C ATOM 0 H THR A 24 -10.573 4.840 14.160 1.00 0.00 H new ATOM 0 HA THR A 24 -12.426 5.454 12.045 1.00 0.00 H new ATOM 0 HB THR A 24 -11.980 7.234 14.459 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.953 5.565 15.760 1.00 0.00 H new ATOM 0 HG21 THR A 24 -14.449 7.058 14.587 1.00 0.00 H new ATOM 0 HG22 THR A 24 -13.928 7.585 12.969 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.436 5.901 13.235 1.00 0.00 H new ATOM 418 N ASP A 25 -10.015 7.670 12.454 1.00 0.00 N ATOM 419 CA ASP A 25 -9.413 8.876 11.773 1.00 0.00 C ATOM 420 C ASP A 25 -9.229 8.604 10.268 1.00 0.00 C ATOM 421 O ASP A 25 -9.403 9.490 9.453 1.00 0.00 O ATOM 422 CB ASP A 25 -8.046 9.121 12.434 1.00 0.00 C ATOM 423 CG ASP A 25 -7.420 10.392 11.857 1.00 0.00 C ATOM 424 OD1 ASP A 25 -8.157 11.332 11.609 1.00 0.00 O ATOM 425 OD2 ASP A 25 -6.214 10.405 11.673 1.00 0.00 O ATOM 0 H ASP A 25 -9.474 7.293 13.232 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.063 9.745 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.164 9.219 13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.389 8.269 12.261 1.00 0.00 H new ATOM 430 N PHE A 26 -8.878 7.388 9.891 1.00 0.00 N ATOM 431 CA PHE A 26 -8.688 7.086 8.424 1.00 0.00 C ATOM 432 C PHE A 26 -9.967 7.399 7.630 1.00 0.00 C ATOM 433 O PHE A 26 -9.898 7.834 6.496 1.00 0.00 O ATOM 434 CB PHE A 26 -8.376 5.585 8.323 1.00 0.00 C ATOM 435 CG PHE A 26 -6.885 5.381 8.410 1.00 0.00 C ATOM 436 CD1 PHE A 26 -6.117 5.399 7.244 1.00 0.00 C ATOM 437 CD2 PHE A 26 -6.270 5.187 9.652 1.00 0.00 C ATOM 438 CE1 PHE A 26 -4.735 5.222 7.316 1.00 0.00 C ATOM 439 CE2 PHE A 26 -4.883 5.015 9.722 1.00 0.00 C ATOM 440 CZ PHE A 26 -4.119 5.033 8.550 1.00 0.00 C ATOM 0 H PHE A 26 -8.717 6.604 10.523 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.885 7.696 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.877 5.043 9.125 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.755 5.185 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.593 5.550 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.864 5.170 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.142 5.232 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.403 4.869 10.679 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.049 4.900 8.603 1.00 0.00 H new ATOM 450 N GLU A 27 -11.133 7.168 8.201 1.00 0.00 N ATOM 451 CA GLU A 27 -12.400 7.448 7.437 1.00 0.00 C ATOM 452 C GLU A 27 -12.507 8.934 7.076 1.00 0.00 C ATOM 453 O GLU A 27 -12.952 9.271 5.995 1.00 0.00 O ATOM 454 CB GLU A 27 -13.571 7.038 8.347 1.00 0.00 C ATOM 455 CG GLU A 27 -13.604 5.515 8.484 1.00 0.00 C ATOM 456 CD GLU A 27 -15.056 5.043 8.592 1.00 0.00 C ATOM 457 OE1 GLU A 27 -15.833 5.372 7.711 1.00 0.00 O ATOM 458 OE2 GLU A 27 -15.365 4.358 9.554 1.00 0.00 O ATOM 0 H GLU A 27 -11.262 6.804 9.145 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.411 6.888 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.461 7.499 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.512 7.396 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.123 5.051 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.044 5.206 9.367 1.00 0.00 H new ATOM 465 N ILE A 28 -12.107 9.828 7.955 1.00 0.00 N ATOM 466 CA ILE A 28 -12.209 11.293 7.608 1.00 0.00 C ATOM 467 C ILE A 28 -11.309 11.594 6.394 1.00 0.00 C ATOM 468 O ILE A 28 -11.693 12.347 5.518 1.00 0.00 O ATOM 469 CB ILE A 28 -11.778 12.090 8.862 1.00 0.00 C ATOM 470 CG1 ILE A 28 -12.860 11.947 9.947 1.00 0.00 C ATOM 471 CG2 ILE A 28 -11.621 13.578 8.514 1.00 0.00 C ATOM 472 CD1 ILE A 28 -12.419 10.919 10.986 1.00 0.00 C ATOM 0 H ILE A 28 -11.723 9.618 8.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.225 11.577 7.332 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.826 11.700 9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.036 12.910 10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.803 11.639 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.317 14.130 9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.862 13.692 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.572 13.969 8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.189 10.822 11.751 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.266 9.955 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.487 11.245 11.448 1.00 0.00 H new ATOM 484 N GLN A 29 -10.131 11.004 6.317 1.00 0.00 N ATOM 485 CA GLN A 29 -9.254 11.272 5.122 1.00 0.00 C ATOM 486 C GLN A 29 -9.900 10.635 3.887 1.00 0.00 C ATOM 487 O GLN A 29 -10.156 11.305 2.904 1.00 0.00 O ATOM 488 CB GLN A 29 -7.888 10.630 5.410 1.00 0.00 C ATOM 489 CG GLN A 29 -6.837 11.221 4.467 1.00 0.00 C ATOM 490 CD GLN A 29 -6.195 12.451 5.121 1.00 0.00 C ATOM 491 OE1 GLN A 29 -6.815 13.111 5.930 1.00 0.00 O ATOM 492 NE2 GLN A 29 -4.969 12.793 4.805 1.00 0.00 N ATOM 0 H GLN A 29 -9.746 10.364 7.012 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.133 12.339 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.602 10.807 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.946 9.550 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.074 10.475 4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.299 11.499 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.445 12.241 4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.540 13.611 5.238 1.00 0.00 H new ATOM 501 N LEU A 30 -10.198 9.349 3.935 1.00 0.00 N ATOM 502 CA LEU A 30 -10.869 8.699 2.747 1.00 0.00 C ATOM 503 C LEU A 30 -12.204 9.417 2.458 1.00 0.00 C ATOM 504 O LEU A 30 -12.606 9.542 1.316 1.00 0.00 O ATOM 505 CB LEU A 30 -11.126 7.219 3.118 1.00 0.00 C ATOM 506 CG LEU A 30 -10.511 6.298 2.051 1.00 0.00 C ATOM 507 CD1 LEU A 30 -9.672 5.208 2.727 1.00 0.00 C ATOM 508 CD2 LEU A 30 -11.628 5.644 1.232 1.00 0.00 C ATOM 0 H LEU A 30 -10.011 8.732 4.726 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.245 8.764 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.693 6.999 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.198 7.035 3.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.874 6.889 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.239 4.558 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.873 5.671 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.306 4.619 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.191 4.992 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.267 5.057 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.222 6.417 0.744 1.00 0.00 H new ATOM 520 N ARG A 31 -12.896 9.897 3.482 1.00 0.00 N ATOM 521 CA ARG A 31 -14.202 10.612 3.238 1.00 0.00 C ATOM 522 C ARG A 31 -13.978 11.809 2.304 1.00 0.00 C ATOM 523 O ARG A 31 -14.769 12.054 1.412 1.00 0.00 O ATOM 524 CB ARG A 31 -14.700 11.113 4.604 1.00 0.00 C ATOM 525 CG ARG A 31 -15.493 10.010 5.309 1.00 0.00 C ATOM 526 CD ARG A 31 -15.520 10.283 6.819 1.00 0.00 C ATOM 527 NE ARG A 31 -16.954 10.133 7.214 1.00 0.00 N ATOM 528 CZ ARG A 31 -17.846 11.074 6.940 1.00 0.00 C ATOM 529 NH1 ARG A 31 -17.506 12.177 6.312 1.00 0.00 N ATOM 530 NH2 ARG A 31 -19.092 10.907 7.299 1.00 0.00 N ATOM 0 H ARG A 31 -12.616 9.825 4.460 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.928 9.945 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.853 11.414 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.327 11.995 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.510 9.972 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.039 9.039 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.886 9.579 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.151 11.283 7.046 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.252 9.290 7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.538 12.323 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.210 12.888 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.373 10.056 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.784 11.627 7.091 1.00 0.00 H new ATOM 544 N ASP A 32 -12.909 12.560 2.498 1.00 0.00 N ATOM 545 CA ASP A 32 -12.668 13.742 1.593 1.00 0.00 C ATOM 546 C ASP A 32 -12.459 13.250 0.158 1.00 0.00 C ATOM 547 O ASP A 32 -13.091 13.735 -0.761 1.00 0.00 O ATOM 548 CB ASP A 32 -11.407 14.453 2.107 1.00 0.00 C ATOM 549 CG ASP A 32 -11.740 15.222 3.386 1.00 0.00 C ATOM 550 OD1 ASP A 32 -12.682 15.997 3.361 1.00 0.00 O ATOM 551 OD2 ASP A 32 -11.046 15.025 4.370 1.00 0.00 O ATOM 0 H ASP A 32 -12.209 12.411 3.225 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.517 14.426 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.620 13.724 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.027 15.136 1.348 1.00 0.00 H new ATOM 556 N ALA A 33 -11.591 12.280 -0.045 1.00 0.00 N ATOM 557 CA ALA A 33 -11.380 11.761 -1.441 1.00 0.00 C ATOM 558 C ALA A 33 -12.675 11.102 -1.935 1.00 0.00 C ATOM 559 O ALA A 33 -13.054 11.259 -3.081 1.00 0.00 O ATOM 560 CB ALA A 33 -10.255 10.721 -1.369 1.00 0.00 C ATOM 0 H ALA A 33 -11.030 11.833 0.680 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.116 12.564 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.069 10.317 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.347 11.193 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.549 9.913 -0.699 1.00 0.00 H new ATOM 566 N GLN A 34 -13.364 10.367 -1.080 1.00 0.00 N ATOM 567 CA GLN A 34 -14.643 9.710 -1.526 1.00 0.00 C ATOM 568 C GLN A 34 -15.642 10.769 -2.029 1.00 0.00 C ATOM 569 O GLN A 34 -16.400 10.514 -2.946 1.00 0.00 O ATOM 570 CB GLN A 34 -15.221 8.982 -0.301 1.00 0.00 C ATOM 571 CG GLN A 34 -14.553 7.613 -0.159 1.00 0.00 C ATOM 572 CD GLN A 34 -14.915 7.005 1.202 1.00 0.00 C ATOM 573 OE1 GLN A 34 -14.774 7.652 2.221 1.00 0.00 O ATOM 574 NE2 GLN A 34 -15.379 5.781 1.269 1.00 0.00 N ATOM 0 H GLN A 34 -13.100 10.197 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.456 9.015 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.056 9.574 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.299 8.863 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.879 6.952 -0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.471 7.713 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.499 5.234 0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.620 5.376 2.173 1.00 0.00 H new ATOM 583 N LYS A 35 -15.653 11.957 -1.444 1.00 0.00 N ATOM 584 CA LYS A 35 -16.618 13.010 -1.919 1.00 0.00 C ATOM 585 C LYS A 35 -15.952 13.915 -2.967 1.00 0.00 C ATOM 586 O LYS A 35 -16.579 14.310 -3.933 1.00 0.00 O ATOM 587 CB LYS A 35 -17.008 13.822 -0.677 1.00 0.00 C ATOM 588 CG LYS A 35 -18.054 13.051 0.130 1.00 0.00 C ATOM 589 CD LYS A 35 -19.455 13.469 -0.318 1.00 0.00 C ATOM 590 CE LYS A 35 -20.459 13.171 0.798 1.00 0.00 C ATOM 591 NZ LYS A 35 -20.567 11.686 0.832 1.00 0.00 N ATOM 0 H LYS A 35 -15.046 12.236 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.493 12.563 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.128 14.013 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.406 14.792 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.920 11.979 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.927 13.250 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.469 14.532 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.733 12.932 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.114 13.564 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.425 13.633 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.407 11.411 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.653 11.322 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.716 11.286 1.277 1.00 0.00 H new ATOM 605 N ASP A 36 -14.691 14.249 -2.791 1.00 0.00 N ATOM 606 CA ASP A 36 -14.002 15.137 -3.800 1.00 0.00 C ATOM 607 C ASP A 36 -14.045 14.498 -5.200 1.00 0.00 C ATOM 608 O ASP A 36 -14.150 15.195 -6.193 1.00 0.00 O ATOM 609 CB ASP A 36 -12.544 15.288 -3.335 1.00 0.00 C ATOM 610 CG ASP A 36 -11.832 16.317 -4.214 1.00 0.00 C ATOM 611 OD1 ASP A 36 -11.768 16.101 -5.413 1.00 0.00 O ATOM 612 OD2 ASP A 36 -11.360 17.304 -3.672 1.00 0.00 O ATOM 0 H ASP A 36 -14.113 13.952 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.499 16.105 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.515 15.603 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.031 14.328 -3.393 1.00 0.00 H new ATOM 617 N LYS A 37 -13.966 13.183 -5.298 1.00 0.00 N ATOM 618 CA LYS A 37 -14.006 12.533 -6.657 1.00 0.00 C ATOM 619 C LYS A 37 -15.460 12.367 -7.131 1.00 0.00 C ATOM 620 O LYS A 37 -15.746 12.523 -8.305 1.00 0.00 O ATOM 621 CB LYS A 37 -13.335 11.159 -6.503 1.00 0.00 C ATOM 622 CG LYS A 37 -13.122 10.538 -7.885 1.00 0.00 C ATOM 623 CD LYS A 37 -13.293 9.021 -7.796 1.00 0.00 C ATOM 624 CE LYS A 37 -14.752 8.653 -8.077 1.00 0.00 C ATOM 625 NZ LYS A 37 -14.873 8.668 -9.561 1.00 0.00 N ATOM 0 H LYS A 37 -13.877 12.542 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.491 13.143 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.380 11.264 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.956 10.505 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.836 10.954 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.126 10.781 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.638 8.528 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.003 8.669 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.997 7.672 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.435 9.368 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.760 9.138 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.068 9.185 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.875 7.692 -9.919 1.00 0.00 H new ATOM 639 N SER A 38 -16.382 12.057 -6.241 1.00 0.00 N ATOM 640 CA SER A 38 -17.816 11.893 -6.682 1.00 0.00 C ATOM 641 C SER A 38 -18.446 13.267 -6.964 1.00 0.00 C ATOM 642 O SER A 38 -19.214 13.414 -7.896 1.00 0.00 O ATOM 643 CB SER A 38 -18.556 11.194 -5.533 1.00 0.00 C ATOM 644 OG SER A 38 -18.022 11.635 -4.291 1.00 0.00 O ATOM 0 H SER A 38 -16.211 11.912 -5.246 1.00 0.00 H new ATOM 0 HA SER A 38 -17.878 11.308 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.622 11.417 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 38 -18.452 10.113 -5.623 1.00 0.00 H new ATOM 0 HG SER A 38 -17.638 10.872 -3.810 1.00 0.00 H new ATOM 650 N SER A 39 -18.128 14.278 -6.176 1.00 0.00 N ATOM 651 CA SER A 39 -18.727 15.637 -6.434 1.00 0.00 C ATOM 652 C SER A 39 -18.115 16.250 -7.704 1.00 0.00 C ATOM 653 O SER A 39 -18.806 16.880 -8.483 1.00 0.00 O ATOM 654 CB SER A 39 -18.395 16.507 -5.212 1.00 0.00 C ATOM 655 OG SER A 39 -18.908 15.885 -4.041 1.00 0.00 O ATOM 0 H SER A 39 -17.492 14.223 -5.380 1.00 0.00 H new ATOM 0 HA SER A 39 -19.805 15.569 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 39 -17.316 16.637 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.828 17.500 -5.330 1.00 0.00 H new ATOM 0 HG SER A 39 -18.269 15.214 -3.720 1.00 0.00 H new ATOM 661 N LYS A 40 -16.827 16.070 -7.926 1.00 0.00 N ATOM 662 CA LYS A 40 -16.192 16.646 -9.152 1.00 0.00 C ATOM 663 C LYS A 40 -15.724 15.519 -10.085 1.00 0.00 C ATOM 664 O LYS A 40 -15.027 14.614 -9.664 1.00 0.00 O ATOM 665 CB LYS A 40 -14.995 17.453 -8.643 1.00 0.00 C ATOM 666 CG LYS A 40 -15.465 18.835 -8.185 1.00 0.00 C ATOM 667 CD LYS A 40 -15.376 19.817 -9.355 1.00 0.00 C ATOM 668 CE LYS A 40 -16.677 19.773 -10.160 1.00 0.00 C ATOM 669 NZ LYS A 40 -16.815 21.138 -10.740 1.00 0.00 N ATOM 0 H LYS A 40 -16.197 15.552 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.885 17.265 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.515 16.929 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.250 17.554 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.491 18.780 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.850 19.184 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.200 20.826 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.531 19.561 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.633 19.014 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.527 19.526 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.685 21.188 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.861 21.838 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.995 21.342 -11.346 1.00 0.00 H new ATOM 683 N LEU A 41 -16.101 15.560 -11.347 1.00 0.00 N ATOM 684 CA LEU A 41 -15.672 14.484 -12.292 1.00 0.00 C ATOM 685 C LEU A 41 -15.070 15.103 -13.565 1.00 0.00 C ATOM 686 O LEU A 41 -15.542 14.859 -14.660 1.00 0.00 O ATOM 687 CB LEU A 41 -16.954 13.715 -12.619 1.00 0.00 C ATOM 688 CG LEU A 41 -16.613 12.499 -13.482 1.00 0.00 C ATOM 689 CD1 LEU A 41 -16.411 11.276 -12.586 1.00 0.00 C ATOM 690 CD2 LEU A 41 -17.762 12.230 -14.458 1.00 0.00 C ATOM 0 H LEU A 41 -16.684 16.290 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.906 13.837 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.444 13.396 -11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -17.655 14.363 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.697 12.695 -14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.168 10.410 -13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.595 11.466 -11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.326 11.079 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.521 11.364 -15.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.677 12.034 -13.898 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.908 13.101 -15.097 1.00 0.00 H new ATOM 702 N ALA A 42 -14.029 15.903 -13.434 1.00 0.00 N ATOM 703 CA ALA A 42 -13.409 16.527 -14.640 1.00 0.00 C ATOM 704 C ALA A 42 -11.876 16.502 -14.523 1.00 0.00 C ATOM 705 O ALA A 42 -11.206 15.841 -15.295 1.00 0.00 O ATOM 706 CB ALA A 42 -13.922 17.967 -14.650 1.00 0.00 C ATOM 0 H ALA A 42 -13.590 16.145 -12.546 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.666 15.997 -15.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.509 18.494 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.010 17.965 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.613 18.470 -13.734 1.00 0.00 H new ATOM 712 N ALA A 43 -11.314 17.214 -13.567 1.00 0.00 N ATOM 713 CA ALA A 43 -9.829 17.221 -13.414 1.00 0.00 C ATOM 714 C ALA A 43 -9.441 16.848 -11.974 1.00 0.00 C ATOM 715 O ALA A 43 -10.285 16.778 -11.102 1.00 0.00 O ATOM 716 CB ALA A 43 -9.404 18.656 -13.728 1.00 0.00 C ATOM 0 H ALA A 43 -11.822 17.786 -12.892 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.344 16.499 -14.071 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.321 18.743 -13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.704 18.910 -14.745 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.883 19.339 -13.027 1.00 0.00 H new ATOM 722 N LYS A 44 -8.168 16.604 -11.713 1.00 0.00 N ATOM 723 CA LYS A 44 -7.730 16.236 -10.326 1.00 0.00 C ATOM 724 C LYS A 44 -8.559 15.054 -9.787 1.00 0.00 C ATOM 725 O LYS A 44 -9.163 15.147 -8.734 1.00 0.00 O ATOM 726 CB LYS A 44 -7.964 17.490 -9.479 1.00 0.00 C ATOM 727 CG LYS A 44 -7.136 17.402 -8.196 1.00 0.00 C ATOM 728 CD LYS A 44 -6.755 18.810 -7.734 1.00 0.00 C ATOM 729 CE LYS A 44 -7.872 19.379 -6.857 1.00 0.00 C ATOM 730 NZ LYS A 44 -7.932 20.827 -7.201 1.00 0.00 N ATOM 0 H LYS A 44 -7.418 16.645 -12.404 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.687 15.921 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.686 18.380 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.022 17.585 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.706 16.895 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.238 16.810 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.819 18.780 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.591 19.455 -8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.823 18.886 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.656 19.233 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.676 21.287 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.015 21.272 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.146 20.935 -8.213 1.00 0.00 H new ATOM 744 N SER A 45 -8.592 13.944 -10.499 1.00 0.00 N ATOM 745 CA SER A 45 -9.384 12.770 -10.013 1.00 0.00 C ATOM 746 C SER A 45 -8.447 11.626 -9.605 1.00 0.00 C ATOM 747 O SER A 45 -8.522 11.128 -8.497 1.00 0.00 O ATOM 748 CB SER A 45 -10.258 12.352 -11.197 1.00 0.00 C ATOM 749 OG SER A 45 -11.057 13.456 -11.603 1.00 0.00 O ATOM 0 H SER A 45 -8.108 13.806 -11.386 1.00 0.00 H new ATOM 0 HA SER A 45 -9.983 13.017 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.633 12.016 -12.025 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.893 11.512 -10.916 1.00 0.00 H new ATOM 0 HG SER A 45 -11.617 13.193 -12.363 1.00 0.00 H new ATOM 755 N ASN A 46 -7.560 11.205 -10.483 1.00 0.00 N ATOM 756 CA ASN A 46 -6.616 10.085 -10.117 1.00 0.00 C ATOM 757 C ASN A 46 -5.821 10.460 -8.854 1.00 0.00 C ATOM 758 O ASN A 46 -5.599 9.631 -7.991 1.00 0.00 O ATOM 759 CB ASN A 46 -5.659 9.901 -11.305 1.00 0.00 C ATOM 760 CG ASN A 46 -6.411 9.254 -12.475 1.00 0.00 C ATOM 761 OD1 ASN A 46 -7.245 8.395 -12.268 1.00 0.00 O ATOM 762 ND2 ASN A 46 -6.154 9.628 -13.705 1.00 0.00 N ATOM 0 H ASN A 46 -7.447 11.580 -11.425 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.162 9.165 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.252 10.865 -11.610 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.815 9.277 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.653 9.198 -14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.455 10.349 -13.883 1.00 0.00 H new ATOM 769 N GLU A 47 -5.398 11.704 -8.733 1.00 0.00 N ATOM 770 CA GLU A 47 -4.623 12.110 -7.505 1.00 0.00 C ATOM 771 C GLU A 47 -5.479 11.890 -6.247 1.00 0.00 C ATOM 772 O GLU A 47 -4.977 11.455 -5.227 1.00 0.00 O ATOM 773 CB GLU A 47 -4.291 13.603 -7.661 1.00 0.00 C ATOM 774 CG GLU A 47 -3.317 13.790 -8.826 1.00 0.00 C ATOM 775 CD GLU A 47 -2.425 15.003 -8.556 1.00 0.00 C ATOM 776 OE1 GLU A 47 -1.811 15.039 -7.503 1.00 0.00 O ATOM 777 OE2 GLU A 47 -2.372 15.875 -9.406 1.00 0.00 O ATOM 0 H GLU A 47 -5.552 12.444 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.715 11.516 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.203 14.172 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.851 13.987 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.706 12.896 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.868 13.930 -9.756 1.00 0.00 H new ATOM 784 N GLN A 48 -6.766 12.180 -6.305 1.00 0.00 N ATOM 785 CA GLN A 48 -7.627 11.970 -5.086 1.00 0.00 C ATOM 786 C GLN A 48 -7.670 10.477 -4.731 1.00 0.00 C ATOM 787 O GLN A 48 -7.505 10.107 -3.583 1.00 0.00 O ATOM 788 CB GLN A 48 -9.038 12.464 -5.444 1.00 0.00 C ATOM 789 CG GLN A 48 -9.752 12.919 -4.172 1.00 0.00 C ATOM 790 CD GLN A 48 -9.075 14.182 -3.626 1.00 0.00 C ATOM 791 OE1 GLN A 48 -8.768 15.086 -4.376 1.00 0.00 O ATOM 792 NE2 GLN A 48 -8.827 14.288 -2.343 1.00 0.00 N ATOM 0 H GLN A 48 -7.249 12.545 -7.126 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.230 12.512 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.978 13.288 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.603 11.667 -5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.802 13.120 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.724 12.127 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.083 13.531 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.378 15.128 -1.978 1.00 0.00 H new ATOM 801 N LEU A 49 -7.887 9.612 -5.703 1.00 0.00 N ATOM 802 CA LEU A 49 -7.934 8.138 -5.389 1.00 0.00 C ATOM 803 C LEU A 49 -6.590 7.673 -4.804 1.00 0.00 C ATOM 804 O LEU A 49 -6.560 6.817 -3.940 1.00 0.00 O ATOM 805 CB LEU A 49 -8.220 7.408 -6.712 1.00 0.00 C ATOM 806 CG LEU A 49 -9.694 7.586 -7.090 1.00 0.00 C ATOM 807 CD1 LEU A 49 -9.956 6.924 -8.444 1.00 0.00 C ATOM 808 CD2 LEU A 49 -10.581 6.933 -6.025 1.00 0.00 C ATOM 0 H LEU A 49 -8.031 9.856 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.706 7.923 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.581 7.803 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.985 6.348 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.925 8.649 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.005 7.050 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.327 7.388 -9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.723 5.861 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.629 7.061 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.350 5.870 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.396 7.403 -5.059 1.00 0.00 H new ATOM 820 N TRP A 50 -5.476 8.226 -5.253 1.00 0.00 N ATOM 821 CA TRP A 50 -4.147 7.788 -4.684 1.00 0.00 C ATOM 822 C TRP A 50 -4.133 8.019 -3.169 1.00 0.00 C ATOM 823 O TRP A 50 -3.647 7.189 -2.421 1.00 0.00 O ATOM 824 CB TRP A 50 -3.053 8.625 -5.383 1.00 0.00 C ATOM 825 CG TRP A 50 -3.098 8.429 -6.882 1.00 0.00 C ATOM 826 CD1 TRP A 50 -3.882 7.539 -7.551 1.00 0.00 C ATOM 827 CD2 TRP A 50 -2.332 9.132 -7.906 1.00 0.00 C ATOM 828 NE1 TRP A 50 -3.648 7.664 -8.907 1.00 0.00 N ATOM 829 CE2 TRP A 50 -2.704 8.628 -9.174 1.00 0.00 C ATOM 830 CE3 TRP A 50 -1.362 10.149 -7.858 1.00 0.00 C ATOM 831 CZ2 TRP A 50 -2.138 9.115 -10.349 1.00 0.00 C ATOM 832 CZ3 TRP A 50 -0.787 10.638 -9.043 1.00 0.00 C ATOM 833 CH2 TRP A 50 -1.178 10.120 -10.287 1.00 0.00 C ATOM 0 H TRP A 50 -5.428 8.946 -5.973 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.971 6.726 -4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.190 9.680 -5.146 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.072 8.338 -5.004 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.575 6.847 -7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.118 7.109 -9.622 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.057 10.556 -6.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -2.443 8.714 -11.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.040 11.417 -8.996 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.734 10.501 -11.195 1.00 0.00 H new ATOM 844 N GLU A 51 -4.689 9.117 -2.700 1.00 0.00 N ATOM 845 CA GLU A 51 -4.723 9.344 -1.214 1.00 0.00 C ATOM 846 C GLU A 51 -5.578 8.250 -0.551 1.00 0.00 C ATOM 847 O GLU A 51 -5.294 7.837 0.557 1.00 0.00 O ATOM 848 CB GLU A 51 -5.350 10.729 -0.985 1.00 0.00 C ATOM 849 CG GLU A 51 -5.033 11.203 0.435 1.00 0.00 C ATOM 850 CD GLU A 51 -5.361 12.692 0.562 1.00 0.00 C ATOM 851 OE1 GLU A 51 -4.622 13.490 0.009 1.00 0.00 O ATOM 852 OE2 GLU A 51 -6.345 13.010 1.210 1.00 0.00 O ATOM 0 H GLU A 51 -5.112 9.851 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.724 9.303 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.961 11.441 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.429 10.680 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.612 10.629 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.981 11.031 0.661 1.00 0.00 H new ATOM 859 N ILE A 52 -6.615 7.763 -1.217 1.00 0.00 N ATOM 860 CA ILE A 52 -7.454 6.682 -0.593 1.00 0.00 C ATOM 861 C ILE A 52 -6.651 5.377 -0.553 1.00 0.00 C ATOM 862 O ILE A 52 -6.421 4.835 0.513 1.00 0.00 O ATOM 863 CB ILE A 52 -8.721 6.544 -1.459 1.00 0.00 C ATOM 864 CG1 ILE A 52 -9.505 7.856 -1.368 1.00 0.00 C ATOM 865 CG2 ILE A 52 -9.584 5.389 -0.936 1.00 0.00 C ATOM 866 CD1 ILE A 52 -10.777 7.795 -2.221 1.00 0.00 C ATOM 0 H ILE A 52 -6.908 8.063 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.734 6.922 0.433 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.450 6.336 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.768 8.055 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.878 8.683 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.479 5.296 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.015 4.461 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.873 5.589 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.316 8.739 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.508 7.620 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.413 6.983 -1.869 1.00 0.00 H new ATOM 878 N MET A 53 -6.197 4.869 -1.688 1.00 0.00 N ATOM 879 CA MET A 53 -5.383 3.597 -1.629 1.00 0.00 C ATOM 880 C MET A 53 -4.131 3.807 -0.750 1.00 0.00 C ATOM 881 O MET A 53 -3.621 2.861 -0.179 1.00 0.00 O ATOM 882 CB MET A 53 -4.991 3.172 -3.067 1.00 0.00 C ATOM 883 CG MET A 53 -4.388 4.335 -3.872 1.00 0.00 C ATOM 884 SD MET A 53 -5.350 4.581 -5.396 1.00 0.00 S ATOM 885 CE MET A 53 -4.958 2.994 -6.173 1.00 0.00 C ATOM 0 H MET A 53 -6.347 5.261 -2.617 1.00 0.00 H new ATOM 0 HA MET A 53 -5.977 2.801 -1.179 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.272 2.354 -3.019 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.872 2.792 -3.585 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.394 5.247 -3.274 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.348 4.121 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.740 2.736 -6.888 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.002 3.069 -6.692 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.896 2.220 -5.408 1.00 0.00 H new ATOM 895 N GLN A 54 -3.643 5.032 -0.604 1.00 0.00 N ATOM 896 CA GLN A 54 -2.442 5.247 0.280 1.00 0.00 C ATOM 897 C GLN A 54 -2.817 4.927 1.739 1.00 0.00 C ATOM 898 O GLN A 54 -2.031 4.347 2.465 1.00 0.00 O ATOM 899 CB GLN A 54 -2.044 6.726 0.145 1.00 0.00 C ATOM 900 CG GLN A 54 -1.166 6.906 -1.094 1.00 0.00 C ATOM 901 CD GLN A 54 0.279 6.518 -0.759 1.00 0.00 C ATOM 902 OE1 GLN A 54 0.508 5.583 -0.018 1.00 0.00 O ATOM 903 NE2 GLN A 54 1.276 7.198 -1.272 1.00 0.00 N ATOM 0 H GLN A 54 -4.017 5.870 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.614 4.600 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.936 7.348 0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.506 7.052 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.540 6.288 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.206 7.941 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.090 7.984 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.237 6.941 -1.048 1.00 0.00 H new ATOM 912 N LEU A 55 -4.015 5.287 2.180 1.00 0.00 N ATOM 913 CA LEU A 55 -4.415 4.971 3.604 1.00 0.00 C ATOM 914 C LEU A 55 -4.257 3.460 3.876 1.00 0.00 C ATOM 915 O LEU A 55 -3.949 3.062 4.984 1.00 0.00 O ATOM 916 CB LEU A 55 -5.915 5.358 3.762 1.00 0.00 C ATOM 917 CG LEU A 55 -6.169 6.848 4.174 1.00 0.00 C ATOM 918 CD1 LEU A 55 -4.940 7.531 4.805 1.00 0.00 C ATOM 919 CD2 LEU A 55 -6.627 7.651 2.945 1.00 0.00 C ATOM 0 H LEU A 55 -4.719 5.776 1.627 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.786 5.521 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.427 5.164 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.367 4.707 4.510 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.945 6.831 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.189 8.560 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.645 6.990 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.115 7.527 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.803 8.687 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.854 7.614 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.549 7.221 2.553 1.00 0.00 H new ATOM 931 N HIS A 56 -4.469 2.613 2.882 1.00 0.00 N ATOM 932 CA HIS A 56 -4.330 1.131 3.118 1.00 0.00 C ATOM 933 C HIS A 56 -2.919 0.810 3.638 1.00 0.00 C ATOM 934 O HIS A 56 -2.759 0.001 4.533 1.00 0.00 O ATOM 935 CB HIS A 56 -4.568 0.450 1.762 1.00 0.00 C ATOM 936 CG HIS A 56 -5.084 -0.946 1.978 1.00 0.00 C ATOM 937 ND1 HIS A 56 -6.183 -1.210 2.779 1.00 0.00 N ATOM 938 CD2 HIS A 56 -4.669 -2.162 1.497 1.00 0.00 C ATOM 939 CE1 HIS A 56 -6.392 -2.538 2.756 1.00 0.00 C ATOM 940 NE2 HIS A 56 -5.497 -3.167 1.989 1.00 0.00 N ATOM 0 H HIS A 56 -4.728 2.881 1.932 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.043 0.779 3.864 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.284 1.026 1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.640 0.420 1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.828 -2.316 0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.187 -3.036 3.292 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.434 -4.168 1.804 1.00 0.00 H new ATOM 948 N HIS A 57 -1.895 1.442 3.097 1.00 0.00 N ATOM 949 CA HIS A 57 -0.502 1.157 3.599 1.00 0.00 C ATOM 950 C HIS A 57 -0.389 1.600 5.059 1.00 0.00 C ATOM 951 O HIS A 57 0.002 0.828 5.915 1.00 0.00 O ATOM 952 CB HIS A 57 0.469 1.968 2.730 1.00 0.00 C ATOM 953 CG HIS A 57 0.894 1.146 1.550 1.00 0.00 C ATOM 954 ND1 HIS A 57 2.092 1.367 0.889 1.00 0.00 N ATOM 955 CD2 HIS A 57 0.297 0.091 0.904 1.00 0.00 C ATOM 956 CE1 HIS A 57 2.179 0.466 -0.103 1.00 0.00 C ATOM 957 NE2 HIS A 57 1.111 -0.337 -0.139 1.00 0.00 N ATOM 0 H HIS A 57 -1.959 2.129 2.345 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.272 0.093 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.010 2.887 2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.341 2.260 3.316 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.658 -0.340 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.011 0.398 -0.788 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.932 -1.100 -0.792 1.00 0.00 H new ATOM 965 N GLN A 58 -0.735 2.836 5.359 1.00 0.00 N ATOM 966 CA GLN A 58 -0.648 3.308 6.787 1.00 0.00 C ATOM 967 C GLN A 58 -1.502 2.398 7.693 1.00 0.00 C ATOM 968 O GLN A 58 -1.133 2.135 8.823 1.00 0.00 O ATOM 969 CB GLN A 58 -1.184 4.748 6.812 1.00 0.00 C ATOM 970 CG GLN A 58 -0.688 5.457 8.074 1.00 0.00 C ATOM 971 CD GLN A 58 0.630 6.181 7.771 1.00 0.00 C ATOM 972 OE1 GLN A 58 0.621 7.274 7.240 1.00 0.00 O ATOM 973 NE2 GLN A 58 1.773 5.620 8.087 1.00 0.00 N ATOM 0 H GLN A 58 -1.069 3.529 4.689 1.00 0.00 H new ATOM 0 HA GLN A 58 0.378 3.272 7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.851 5.287 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.274 4.742 6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.436 6.171 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.542 4.734 8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.785 4.703 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.650 6.101 7.887 1.00 0.00 H new ATOM 982 N ARG A 59 -2.628 1.903 7.208 1.00 0.00 N ATOM 983 CA ARG A 59 -3.468 0.996 8.070 1.00 0.00 C ATOM 984 C ARG A 59 -2.703 -0.311 8.327 1.00 0.00 C ATOM 985 O ARG A 59 -2.582 -0.743 9.458 1.00 0.00 O ATOM 986 CB ARG A 59 -4.767 0.710 7.297 1.00 0.00 C ATOM 987 CG ARG A 59 -5.747 1.869 7.492 1.00 0.00 C ATOM 988 CD ARG A 59 -6.232 1.899 8.945 1.00 0.00 C ATOM 989 NE ARG A 59 -7.691 2.215 8.865 1.00 0.00 N ATOM 990 CZ ARG A 59 -8.562 1.351 8.364 1.00 0.00 C ATOM 991 NH1 ARG A 59 -8.180 0.177 7.918 1.00 0.00 N ATOM 992 NH2 ARG A 59 -9.829 1.668 8.310 1.00 0.00 N ATOM 0 H ARG A 59 -2.994 2.084 6.273 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.692 1.457 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.550 0.579 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.214 -0.220 7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.263 2.813 7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.596 1.757 6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.063 0.941 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.697 2.652 9.523 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.024 3.117 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.195 -0.086 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.868 -0.472 7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.143 2.576 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.504 1.007 7.925 1.00 0.00 H new ATOM 1006 N SER A 60 -2.170 -0.940 7.293 1.00 0.00 N ATOM 1007 CA SER A 60 -1.401 -2.212 7.520 1.00 0.00 C ATOM 1008 C SER A 60 -0.156 -1.904 8.360 1.00 0.00 C ATOM 1009 O SER A 60 0.190 -2.655 9.250 1.00 0.00 O ATOM 1010 CB SER A 60 -0.997 -2.748 6.140 1.00 0.00 C ATOM 1011 OG SER A 60 -0.171 -1.792 5.488 1.00 0.00 O ATOM 0 H SER A 60 -2.234 -0.633 6.322 1.00 0.00 H new ATOM 0 HA SER A 60 -1.999 -2.952 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.465 -3.693 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.885 -2.947 5.540 1.00 0.00 H new ATOM 0 HG SER A 60 -0.476 -0.888 5.713 1.00 0.00 H new ATOM 1017 N ARG A 61 0.515 -0.797 8.101 1.00 0.00 N ATOM 1018 CA ARG A 61 1.729 -0.458 8.923 1.00 0.00 C ATOM 1019 C ARG A 61 1.314 -0.261 10.390 1.00 0.00 C ATOM 1020 O ARG A 61 2.008 -0.685 11.292 1.00 0.00 O ATOM 1021 CB ARG A 61 2.306 0.849 8.355 1.00 0.00 C ATOM 1022 CG ARG A 61 3.759 1.005 8.806 1.00 0.00 C ATOM 1023 CD ARG A 61 4.368 2.248 8.155 1.00 0.00 C ATOM 1024 NE ARG A 61 5.814 1.918 7.971 1.00 0.00 N ATOM 1025 CZ ARG A 61 6.211 1.050 7.054 1.00 0.00 C ATOM 1026 NH1 ARG A 61 5.351 0.442 6.267 1.00 0.00 N ATOM 1027 NH2 ARG A 61 7.485 0.785 6.923 1.00 0.00 N ATOM 0 H ARG A 61 0.279 -0.126 7.370 1.00 0.00 H new ATOM 0 HA ARG A 61 2.471 -1.255 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.251 0.840 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.715 1.699 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.806 1.091 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.333 0.120 8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.889 2.469 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.241 3.127 8.787 1.00 0.00 H new ATOM 0 HE ARG A 61 6.509 2.371 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.353 0.635 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.681 -0.223 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.166 1.246 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.797 0.117 6.218 1.00 0.00 H new ATOM 1041 N TYR A 62 0.179 0.368 10.640 1.00 0.00 N ATOM 1042 CA TYR A 62 -0.264 0.566 12.066 1.00 0.00 C ATOM 1043 C TYR A 62 -0.486 -0.803 12.727 1.00 0.00 C ATOM 1044 O TYR A 62 0.042 -1.075 13.791 1.00 0.00 O ATOM 1045 CB TYR A 62 -1.586 1.355 12.008 1.00 0.00 C ATOM 1046 CG TYR A 62 -2.111 1.590 13.405 1.00 0.00 C ATOM 1047 CD1 TYR A 62 -2.822 0.578 14.062 1.00 0.00 C ATOM 1048 CD2 TYR A 62 -1.889 2.816 14.042 1.00 0.00 C ATOM 1049 CE1 TYR A 62 -3.311 0.794 15.354 1.00 0.00 C ATOM 1050 CE2 TYR A 62 -2.377 3.032 15.335 1.00 0.00 C ATOM 1051 CZ TYR A 62 -3.090 2.021 15.992 1.00 0.00 C ATOM 1052 OH TYR A 62 -3.573 2.235 17.267 1.00 0.00 O ATOM 0 H TYR A 62 -0.449 0.746 9.931 1.00 0.00 H new ATOM 0 HA TYR A 62 0.483 1.104 12.650 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.428 2.309 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.322 0.804 11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.992 -0.369 13.571 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.340 3.596 13.535 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.860 0.014 15.861 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.204 3.978 15.827 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.827 2.238 17.903 1.00 0.00 H new ATOM 1062 N ILE A 63 -1.252 -1.677 12.101 1.00 0.00 N ATOM 1063 CA ILE A 63 -1.479 -3.034 12.713 1.00 0.00 C ATOM 1064 C ILE A 63 -0.179 -3.855 12.636 1.00 0.00 C ATOM 1065 O ILE A 63 0.142 -4.591 13.549 1.00 0.00 O ATOM 1066 CB ILE A 63 -2.610 -3.700 11.907 1.00 0.00 C ATOM 1067 CG1 ILE A 63 -3.895 -2.879 12.079 1.00 0.00 C ATOM 1068 CG2 ILE A 63 -2.844 -5.124 12.423 1.00 0.00 C ATOM 1069 CD1 ILE A 63 -5.018 -3.475 11.225 1.00 0.00 C ATOM 0 H ILE A 63 -1.721 -1.514 11.210 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.759 -2.965 13.764 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.333 -3.741 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.192 -2.869 13.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.716 -1.844 11.788 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.645 -5.592 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.930 -5.707 12.311 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.124 -5.088 13.476 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.925 -2.885 11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.723 -3.462 10.176 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.206 -4.503 11.536 1.00 0.00 H new ATOM 1081 N TYR A 64 0.582 -3.727 11.566 1.00 0.00 N ATOM 1082 CA TYR A 64 1.868 -4.500 11.477 1.00 0.00 C ATOM 1083 C TYR A 64 2.842 -3.970 12.538 1.00 0.00 C ATOM 1084 O TYR A 64 3.514 -4.733 13.201 1.00 0.00 O ATOM 1085 CB TYR A 64 2.438 -4.265 10.068 1.00 0.00 C ATOM 1086 CG TYR A 64 3.509 -5.289 9.777 1.00 0.00 C ATOM 1087 CD1 TYR A 64 4.752 -5.207 10.416 1.00 0.00 C ATOM 1088 CD2 TYR A 64 3.255 -6.322 8.871 1.00 0.00 C ATOM 1089 CE1 TYR A 64 5.742 -6.161 10.146 1.00 0.00 C ATOM 1090 CE2 TYR A 64 4.242 -7.277 8.601 1.00 0.00 C ATOM 1091 CZ TYR A 64 5.486 -7.196 9.239 1.00 0.00 C ATOM 1092 OH TYR A 64 6.460 -8.138 8.974 1.00 0.00 O ATOM 0 H TYR A 64 0.372 -3.131 10.765 1.00 0.00 H new ATOM 0 HA TYR A 64 1.711 -5.564 11.651 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.642 -4.336 9.326 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.853 -3.260 9.996 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.948 -4.409 11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.296 -6.384 8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.702 -6.098 10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.044 -8.076 7.901 1.00 0.00 H new ATOM 0 HH TYR A 64 7.026 -8.255 9.765 1.00 0.00 H new ATOM 1102 N THR A 65 2.921 -2.665 12.710 1.00 0.00 N ATOM 1103 CA THR A 65 3.865 -2.112 13.744 1.00 0.00 C ATOM 1104 C THR A 65 3.486 -2.631 15.139 1.00 0.00 C ATOM 1105 O THR A 65 4.351 -2.958 15.931 1.00 0.00 O ATOM 1106 CB THR A 65 3.743 -0.580 13.696 1.00 0.00 C ATOM 1107 OG1 THR A 65 4.036 -0.123 12.384 1.00 0.00 O ATOM 1108 CG2 THR A 65 4.733 0.043 14.684 1.00 0.00 C ATOM 0 H THR A 65 2.384 -1.971 12.190 1.00 0.00 H new ATOM 0 HA THR A 65 4.889 -2.425 13.540 1.00 0.00 H new ATOM 0 HB THR A 65 2.728 -0.289 13.966 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.212 0.188 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.646 1.129 14.650 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.510 -0.307 15.692 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.748 -0.249 14.415 1.00 0.00 H new ATOM 1116 N LEU A 66 2.209 -2.695 15.463 1.00 0.00 N ATOM 1117 CA LEU A 66 1.827 -3.182 16.834 1.00 0.00 C ATOM 1118 C LEU A 66 1.786 -4.724 16.921 1.00 0.00 C ATOM 1119 O LEU A 66 2.149 -5.284 17.940 1.00 0.00 O ATOM 1120 CB LEU A 66 0.462 -2.542 17.179 1.00 0.00 C ATOM 1121 CG LEU A 66 -0.671 -3.137 16.333 1.00 0.00 C ATOM 1122 CD1 LEU A 66 -1.185 -4.429 16.983 1.00 0.00 C ATOM 1123 CD2 LEU A 66 -1.815 -2.119 16.241 1.00 0.00 C ATOM 0 H LEU A 66 1.433 -2.438 14.853 1.00 0.00 H new ATOM 0 HA LEU A 66 2.581 -2.882 17.562 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.245 -2.694 18.236 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.512 -1.466 17.015 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.298 -3.366 15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.989 -4.846 16.377 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.371 -5.151 17.052 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.560 -4.209 17.982 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.625 -2.535 15.641 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.184 -1.894 17.242 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.451 -1.204 15.775 1.00 0.00 H new ATOM 1135 N TYR A 67 1.349 -5.425 15.889 1.00 0.00 N ATOM 1136 CA TYR A 67 1.301 -6.933 15.985 1.00 0.00 C ATOM 1137 C TYR A 67 2.645 -7.576 15.585 1.00 0.00 C ATOM 1138 O TYR A 67 3.019 -8.598 16.131 1.00 0.00 O ATOM 1139 CB TYR A 67 0.179 -7.408 15.043 1.00 0.00 C ATOM 1140 CG TYR A 67 0.048 -8.919 15.130 1.00 0.00 C ATOM 1141 CD1 TYR A 67 0.862 -9.735 14.334 1.00 0.00 C ATOM 1142 CD2 TYR A 67 -0.874 -9.502 16.012 1.00 0.00 C ATOM 1143 CE1 TYR A 67 0.755 -11.130 14.420 1.00 0.00 C ATOM 1144 CE2 TYR A 67 -0.982 -10.897 16.096 1.00 0.00 C ATOM 1145 CZ TYR A 67 -0.166 -11.710 15.301 1.00 0.00 C ATOM 1146 OH TYR A 67 -0.270 -13.084 15.384 1.00 0.00 O ATOM 0 H TYR A 67 1.030 -5.031 15.004 1.00 0.00 H new ATOM 0 HA TYR A 67 1.109 -7.233 17.015 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.764 -6.935 15.316 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.400 -7.110 14.018 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.572 -9.289 13.654 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.502 -8.875 16.627 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.384 -11.758 13.806 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.694 -11.344 16.774 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.955 -13.321 16.043 1.00 0.00 H new ATOM 1156 N TYR A 68 3.361 -7.020 14.627 1.00 0.00 N ATOM 1157 CA TYR A 68 4.657 -7.662 14.208 1.00 0.00 C ATOM 1158 C TYR A 68 5.900 -7.008 14.859 1.00 0.00 C ATOM 1159 O TYR A 68 7.003 -7.484 14.658 1.00 0.00 O ATOM 1160 CB TYR A 68 4.713 -7.533 12.678 1.00 0.00 C ATOM 1161 CG TYR A 68 4.067 -8.744 12.043 1.00 0.00 C ATOM 1162 CD1 TYR A 68 4.541 -10.025 12.348 1.00 0.00 C ATOM 1163 CD2 TYR A 68 2.996 -8.588 11.148 1.00 0.00 C ATOM 1164 CE1 TYR A 68 3.948 -11.150 11.762 1.00 0.00 C ATOM 1165 CE2 TYR A 68 2.404 -9.716 10.563 1.00 0.00 C ATOM 1166 CZ TYR A 68 2.880 -10.995 10.871 1.00 0.00 C ATOM 1167 OH TYR A 68 2.297 -12.105 10.295 1.00 0.00 O ATOM 0 H TYR A 68 3.111 -6.167 14.126 1.00 0.00 H new ATOM 0 HA TYR A 68 4.681 -8.700 14.539 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.199 -6.626 12.360 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.748 -7.445 12.348 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.365 -10.146 13.036 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.629 -7.600 10.911 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.315 -12.138 11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.580 -9.598 9.874 1.00 0.00 H new ATOM 0 HH TYR A 68 1.569 -11.822 9.703 1.00 0.00 H new ATOM 1177 N LYS A 69 5.762 -5.945 15.637 1.00 0.00 N ATOM 1178 CA LYS A 69 6.974 -5.330 16.269 1.00 0.00 C ATOM 1179 C LYS A 69 6.683 -4.922 17.723 1.00 0.00 C ATOM 1180 O LYS A 69 7.340 -5.385 18.636 1.00 0.00 O ATOM 1181 CB LYS A 69 7.302 -4.099 15.422 1.00 0.00 C ATOM 1182 CG LYS A 69 7.733 -4.538 14.017 1.00 0.00 C ATOM 1183 CD LYS A 69 6.571 -4.341 13.035 1.00 0.00 C ATOM 1184 CE LYS A 69 6.837 -3.112 12.159 1.00 0.00 C ATOM 1185 NZ LYS A 69 7.787 -3.582 11.112 1.00 0.00 N ATOM 0 H LYS A 69 4.876 -5.489 15.854 1.00 0.00 H new ATOM 0 HA LYS A 69 7.807 -6.032 16.301 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.431 -3.447 15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.098 -3.523 15.894 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.598 -3.958 13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.038 -5.584 14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.456 -5.227 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.637 -4.214 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.915 -2.737 11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.265 -2.297 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.083 -2.776 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.622 -4.005 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.320 -4.294 10.514 1.00 0.00 H new ATOM 1199 N ARG A 70 5.711 -4.060 17.953 1.00 0.00 N ATOM 1200 CA ARG A 70 5.407 -3.645 19.372 1.00 0.00 C ATOM 1201 C ARG A 70 4.944 -4.854 20.206 1.00 0.00 C ATOM 1202 O ARG A 70 5.149 -4.892 21.403 1.00 0.00 O ATOM 1203 CB ARG A 70 4.286 -2.599 19.301 1.00 0.00 C ATOM 1204 CG ARG A 70 4.421 -1.625 20.473 1.00 0.00 C ATOM 1205 CD ARG A 70 3.105 -0.869 20.663 1.00 0.00 C ATOM 1206 NE ARG A 70 3.479 0.380 21.398 1.00 0.00 N ATOM 1207 CZ ARG A 70 4.121 1.366 20.793 1.00 0.00 C ATOM 1208 NH1 ARG A 70 4.454 1.291 19.523 1.00 0.00 N ATOM 1209 NH2 ARG A 70 4.433 2.443 21.466 1.00 0.00 N ATOM 0 H ARG A 70 5.125 -3.632 17.236 1.00 0.00 H new ATOM 0 HA ARG A 70 6.298 -3.238 19.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.339 -2.057 18.357 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.313 -3.090 19.333 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.675 -2.168 21.383 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.232 -0.922 20.284 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.640 -0.639 19.704 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.388 -1.462 21.231 1.00 0.00 H new ATOM 0 HE ARG A 70 3.234 0.473 22.384 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.217 0.459 18.982 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.949 2.065 19.079 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.181 2.519 22.452 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.928 3.207 21.005 1.00 0.00 H new ATOM 1223 N LYS A 71 4.312 -5.845 19.594 1.00 0.00 N ATOM 1224 CA LYS A 71 3.835 -7.037 20.368 1.00 0.00 C ATOM 1225 C LYS A 71 2.837 -6.596 21.447 1.00 0.00 C ATOM 1226 O LYS A 71 2.889 -7.056 22.573 1.00 0.00 O ATOM 1227 CB LYS A 71 5.089 -7.669 21.000 1.00 0.00 C ATOM 1228 CG LYS A 71 5.273 -9.097 20.478 1.00 0.00 C ATOM 1229 CD LYS A 71 6.724 -9.535 20.688 1.00 0.00 C ATOM 1230 CE LYS A 71 6.828 -11.053 20.526 1.00 0.00 C ATOM 1231 NZ LYS A 71 7.978 -11.453 21.384 1.00 0.00 N ATOM 0 H LYS A 71 4.110 -5.872 18.595 1.00 0.00 H new ATOM 0 HA LYS A 71 3.320 -7.755 19.730 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.968 -7.070 20.762 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.994 -7.679 22.086 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.598 -9.776 20.999 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.017 -9.144 19.419 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.373 -9.037 19.968 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.064 -9.241 21.681 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.909 -11.548 20.841 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.997 -11.328 19.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.113 -12.483 21.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.840 -10.972 21.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.785 -11.184 22.370 1.00 0.00 H new ATOM 1245 N ALA A 72 1.918 -5.715 21.109 1.00 0.00 N ATOM 1246 CA ALA A 72 0.909 -5.258 22.111 1.00 0.00 C ATOM 1247 C ALA A 72 -0.500 -5.683 21.663 1.00 0.00 C ATOM 1248 O ALA A 72 -1.456 -4.952 21.843 1.00 0.00 O ATOM 1249 CB ALA A 72 1.030 -3.734 22.131 1.00 0.00 C ATOM 0 H ALA A 72 1.828 -5.297 20.183 1.00 0.00 H new ATOM 0 HA ALA A 72 1.077 -5.689 23.098 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.318 -3.322 22.846 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.042 -3.453 22.423 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.817 -3.339 21.138 1.00 0.00 H new ATOM 1255 N ILE A 73 -0.639 -6.857 21.078 1.00 0.00 N ATOM 1256 CA ILE A 73 -1.989 -7.317 20.619 1.00 0.00 C ATOM 1257 C ILE A 73 -2.021 -8.854 20.515 1.00 0.00 C ATOM 1258 O ILE A 73 -0.984 -9.491 20.469 1.00 0.00 O ATOM 1259 CB ILE A 73 -2.179 -6.667 19.239 1.00 0.00 C ATOM 1260 CG1 ILE A 73 -3.540 -7.071 18.659 1.00 0.00 C ATOM 1261 CG2 ILE A 73 -1.068 -7.122 18.285 1.00 0.00 C ATOM 1262 CD1 ILE A 73 -3.793 -6.308 17.355 1.00 0.00 C ATOM 0 H ILE A 73 0.124 -7.511 20.901 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.783 -7.036 21.311 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.136 -5.584 19.352 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.563 -8.145 18.473 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.331 -6.855 19.377 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.212 -6.656 17.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.099 -6.828 18.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.102 -8.206 18.177 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.761 -6.598 16.946 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.789 -5.236 17.554 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.009 -6.546 16.636 1.00 0.00 H new ATOM 1274 N SER A 74 -3.191 -9.453 20.468 1.00 0.00 N ATOM 1275 CA SER A 74 -3.257 -10.941 20.357 1.00 0.00 C ATOM 1276 C SER A 74 -3.790 -11.344 18.973 1.00 0.00 C ATOM 1277 O SER A 74 -4.589 -10.637 18.389 1.00 0.00 O ATOM 1278 CB SER A 74 -4.222 -11.388 21.456 1.00 0.00 C ATOM 1279 OG SER A 74 -3.477 -11.865 22.569 1.00 0.00 O ATOM 0 H SER A 74 -4.093 -8.977 20.502 1.00 0.00 H new ATOM 0 HA SER A 74 -2.277 -11.405 20.470 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.857 -10.556 21.759 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.880 -12.172 21.081 1.00 0.00 H new ATOM 0 HG SER A 74 -4.092 -12.151 23.276 1.00 0.00 H new ATOM 1285 N LYS A 75 -3.349 -12.471 18.439 1.00 0.00 N ATOM 1286 CA LYS A 75 -3.833 -12.921 17.074 1.00 0.00 C ATOM 1287 C LYS A 75 -5.363 -12.774 16.934 1.00 0.00 C ATOM 1288 O LYS A 75 -5.855 -12.501 15.856 1.00 0.00 O ATOM 1289 CB LYS A 75 -3.444 -14.403 16.945 1.00 0.00 C ATOM 1290 CG LYS A 75 -3.534 -14.829 15.478 1.00 0.00 C ATOM 1291 CD LYS A 75 -3.063 -16.279 15.339 1.00 0.00 C ATOM 1292 CE LYS A 75 -1.572 -16.307 14.988 1.00 0.00 C ATOM 1293 NZ LYS A 75 -0.883 -16.673 16.257 1.00 0.00 N ATOM 0 H LYS A 75 -2.678 -13.097 18.885 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.383 -12.307 16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.432 -14.558 17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.106 -15.018 17.555 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.560 -14.733 15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.920 -14.175 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.237 -16.819 16.270 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.638 -16.786 14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.365 -17.034 14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.235 -15.337 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.021 -16.163 16.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.484 -16.415 17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.704 -17.697 16.272 1.00 0.00 H new ATOM 1307 N ASP A 76 -6.120 -12.946 18.003 1.00 0.00 N ATOM 1308 CA ASP A 76 -7.614 -12.798 17.880 1.00 0.00 C ATOM 1309 C ASP A 76 -7.953 -11.364 17.452 1.00 0.00 C ATOM 1310 O ASP A 76 -8.696 -11.160 16.508 1.00 0.00 O ATOM 1311 CB ASP A 76 -8.212 -13.098 19.264 1.00 0.00 C ATOM 1312 CG ASP A 76 -8.369 -14.610 19.435 1.00 0.00 C ATOM 1313 OD1 ASP A 76 -9.370 -15.137 18.978 1.00 0.00 O ATOM 1314 OD2 ASP A 76 -7.487 -15.214 20.021 1.00 0.00 O ATOM 0 H ASP A 76 -5.776 -13.177 18.935 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.020 -13.480 17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.566 -12.698 20.046 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.180 -12.607 19.368 1.00 0.00 H new ATOM 1319 N LEU A 77 -7.407 -10.365 18.121 1.00 0.00 N ATOM 1320 CA LEU A 77 -7.710 -8.950 17.703 1.00 0.00 C ATOM 1321 C LEU A 77 -7.101 -8.706 16.317 1.00 0.00 C ATOM 1322 O LEU A 77 -7.753 -8.181 15.435 1.00 0.00 O ATOM 1323 CB LEU A 77 -7.067 -8.017 18.744 1.00 0.00 C ATOM 1324 CG LEU A 77 -7.373 -6.558 18.380 1.00 0.00 C ATOM 1325 CD1 LEU A 77 -8.849 -6.262 18.655 1.00 0.00 C ATOM 1326 CD2 LEU A 77 -6.496 -5.619 19.219 1.00 0.00 C ATOM 0 H LEU A 77 -6.780 -10.464 18.919 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.783 -8.766 17.650 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.452 -8.244 19.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.989 -8.177 18.775 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.161 -6.398 17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.067 -5.226 18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.471 -6.924 18.053 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.062 -6.425 19.712 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.717 -4.584 18.957 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.702 -5.777 20.277 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.445 -5.828 19.019 1.00 0.00 H new ATOM 1338 N TYR A 78 -5.858 -9.101 16.109 1.00 0.00 N ATOM 1339 CA TYR A 78 -5.230 -8.897 14.755 1.00 0.00 C ATOM 1340 C TYR A 78 -6.040 -9.664 13.690 1.00 0.00 C ATOM 1341 O TYR A 78 -6.221 -9.182 12.587 1.00 0.00 O ATOM 1342 CB TYR A 78 -3.787 -9.438 14.851 1.00 0.00 C ATOM 1343 CG TYR A 78 -3.093 -9.343 13.507 1.00 0.00 C ATOM 1344 CD1 TYR A 78 -3.169 -8.166 12.751 1.00 0.00 C ATOM 1345 CD2 TYR A 78 -2.367 -10.438 13.019 1.00 0.00 C ATOM 1346 CE1 TYR A 78 -2.521 -8.083 11.511 1.00 0.00 C ATOM 1347 CE2 TYR A 78 -1.721 -10.355 11.780 1.00 0.00 C ATOM 1348 CZ TYR A 78 -1.798 -9.178 11.026 1.00 0.00 C ATOM 1349 OH TYR A 78 -1.160 -9.098 9.805 1.00 0.00 O ATOM 0 H TYR A 78 -5.261 -9.548 16.805 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.222 -7.846 14.466 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.229 -8.871 15.596 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.803 -10.475 15.186 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.728 -7.321 13.124 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.306 -11.347 13.599 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.580 -7.174 10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.162 -11.200 11.405 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.703 -9.945 9.619 1.00 0.00 H new ATOM 1359 N ASP A 79 -6.549 -10.841 14.012 1.00 0.00 N ATOM 1360 CA ASP A 79 -7.363 -11.598 12.996 1.00 0.00 C ATOM 1361 C ASP A 79 -8.726 -10.907 12.834 1.00 0.00 C ATOM 1362 O ASP A 79 -9.208 -10.732 11.729 1.00 0.00 O ATOM 1363 CB ASP A 79 -7.545 -13.023 13.541 1.00 0.00 C ATOM 1364 CG ASP A 79 -8.181 -13.906 12.465 1.00 0.00 C ATOM 1365 OD1 ASP A 79 -9.018 -13.404 11.732 1.00 0.00 O ATOM 1366 OD2 ASP A 79 -7.819 -15.069 12.390 1.00 0.00 O ATOM 0 H ASP A 79 -6.438 -11.301 14.916 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.873 -11.624 12.023 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.581 -13.435 13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.175 -13.005 14.431 1.00 0.00 H new ATOM 1371 N TRP A 80 -9.344 -10.495 13.925 1.00 0.00 N ATOM 1372 CA TRP A 80 -10.675 -9.793 13.812 1.00 0.00 C ATOM 1373 C TRP A 80 -10.527 -8.534 12.937 1.00 0.00 C ATOM 1374 O TRP A 80 -11.418 -8.201 12.177 1.00 0.00 O ATOM 1375 CB TRP A 80 -11.089 -9.404 15.246 1.00 0.00 C ATOM 1376 CG TRP A 80 -12.407 -8.693 15.228 1.00 0.00 C ATOM 1377 CD1 TRP A 80 -13.614 -9.293 15.115 1.00 0.00 C ATOM 1378 CD2 TRP A 80 -12.669 -7.262 15.327 1.00 0.00 C ATOM 1379 NE1 TRP A 80 -14.599 -8.322 15.136 1.00 0.00 N ATOM 1380 CE2 TRP A 80 -14.067 -7.055 15.266 1.00 0.00 C ATOM 1381 CE3 TRP A 80 -11.838 -6.135 15.463 1.00 0.00 C ATOM 1382 CZ2 TRP A 80 -14.621 -5.776 15.335 1.00 0.00 C ATOM 1383 CZ3 TRP A 80 -12.392 -4.846 15.533 1.00 0.00 C ATOM 1384 CH2 TRP A 80 -13.781 -4.668 15.469 1.00 0.00 C ATOM 0 H TRP A 80 -8.992 -10.612 14.875 1.00 0.00 H new ATOM 0 HA TRP A 80 -11.427 -10.433 13.350 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.157 -10.297 15.868 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.328 -8.763 15.691 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -13.781 -10.356 15.023 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -15.597 -8.518 15.064 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.767 -6.262 15.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -15.692 -5.644 15.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -11.745 -3.988 15.637 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -14.201 -3.675 15.523 1.00 0.00 H new ATOM 1395 N LEU A 81 -9.410 -7.836 13.025 1.00 0.00 N ATOM 1396 CA LEU A 81 -9.235 -6.609 12.172 1.00 0.00 C ATOM 1397 C LEU A 81 -9.090 -7.036 10.704 1.00 0.00 C ATOM 1398 O LEU A 81 -9.744 -6.495 9.831 1.00 0.00 O ATOM 1399 CB LEU A 81 -7.950 -5.908 12.653 1.00 0.00 C ATOM 1400 CG LEU A 81 -8.106 -5.480 14.116 1.00 0.00 C ATOM 1401 CD1 LEU A 81 -6.725 -5.211 14.716 1.00 0.00 C ATOM 1402 CD2 LEU A 81 -8.944 -4.204 14.190 1.00 0.00 C ATOM 0 H LEU A 81 -8.626 -8.059 13.639 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.089 -5.937 12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.098 -6.580 12.551 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.745 -5.037 12.030 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.602 -6.274 14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.834 -4.906 15.757 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.123 -6.118 14.664 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.233 -4.417 14.155 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.054 -3.901 15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.448 -3.410 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.928 -4.390 13.760 1.00 0.00 H new ATOM 1414 N ILE A 82 -8.252 -8.016 10.422 1.00 0.00 N ATOM 1415 CA ILE A 82 -8.094 -8.477 8.992 1.00 0.00 C ATOM 1416 C ILE A 82 -9.459 -8.928 8.424 1.00 0.00 C ATOM 1417 O ILE A 82 -9.718 -8.771 7.246 1.00 0.00 O ATOM 1418 CB ILE A 82 -7.093 -9.660 9.014 1.00 0.00 C ATOM 1419 CG1 ILE A 82 -5.698 -9.163 9.436 1.00 0.00 C ATOM 1420 CG2 ILE A 82 -6.997 -10.304 7.622 1.00 0.00 C ATOM 1421 CD1 ILE A 82 -5.184 -8.104 8.453 1.00 0.00 C ATOM 0 H ILE A 82 -7.679 -8.510 11.106 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.727 -7.672 8.355 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.451 -10.400 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.744 -8.743 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.003 -10.002 9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.290 -11.133 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.978 -10.674 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.654 -9.562 6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.197 -7.764 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.118 -8.536 7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.871 -7.258 8.438 1.00 0.00 H new ATOM 1433 N LYS A 83 -10.333 -9.488 9.244 1.00 0.00 N ATOM 1434 CA LYS A 83 -11.670 -9.938 8.711 1.00 0.00 C ATOM 1435 C LYS A 83 -12.697 -8.785 8.695 1.00 0.00 C ATOM 1436 O LYS A 83 -13.659 -8.838 7.951 1.00 0.00 O ATOM 1437 CB LYS A 83 -12.148 -11.062 9.643 1.00 0.00 C ATOM 1438 CG LYS A 83 -13.290 -11.834 8.974 1.00 0.00 C ATOM 1439 CD LYS A 83 -12.741 -13.104 8.313 1.00 0.00 C ATOM 1440 CE LYS A 83 -12.558 -12.869 6.811 1.00 0.00 C ATOM 1441 NZ LYS A 83 -13.920 -13.029 6.229 1.00 0.00 N ATOM 0 H LYS A 83 -10.182 -9.650 10.240 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.573 -10.278 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.322 -11.737 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.485 -10.643 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.046 -12.096 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.778 -11.206 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.788 -13.378 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.425 -13.936 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.158 -11.875 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.858 -13.586 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.938 -13.866 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.613 -13.149 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.161 -12.184 5.673 1.00 0.00 H new ATOM 1455 N GLU A 84 -12.518 -7.749 9.495 1.00 0.00 N ATOM 1456 CA GLU A 84 -13.515 -6.622 9.483 1.00 0.00 C ATOM 1457 C GLU A 84 -13.017 -5.414 8.651 1.00 0.00 C ATOM 1458 O GLU A 84 -13.501 -4.312 8.818 1.00 0.00 O ATOM 1459 CB GLU A 84 -13.683 -6.218 10.943 1.00 0.00 C ATOM 1460 CG GLU A 84 -14.269 -7.382 11.739 1.00 0.00 C ATOM 1461 CD GLU A 84 -15.696 -7.661 11.265 1.00 0.00 C ATOM 1462 OE1 GLU A 84 -15.847 -8.386 10.296 1.00 0.00 O ATOM 1463 OE2 GLU A 84 -16.616 -7.144 11.879 1.00 0.00 O ATOM 0 H GLU A 84 -11.739 -7.638 10.144 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.451 -6.939 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.720 -5.927 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.338 -5.350 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.652 -8.271 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.268 -7.145 12.803 1.00 0.00 H new ATOM 1470 N LYS A 85 -12.063 -5.611 7.752 1.00 0.00 N ATOM 1471 CA LYS A 85 -11.527 -4.495 6.888 1.00 0.00 C ATOM 1472 C LYS A 85 -10.653 -3.538 7.697 1.00 0.00 C ATOM 1473 O LYS A 85 -11.108 -2.507 8.157 1.00 0.00 O ATOM 1474 CB LYS A 85 -12.734 -3.762 6.279 1.00 0.00 C ATOM 1475 CG LYS A 85 -12.295 -3.006 5.024 1.00 0.00 C ATOM 1476 CD LYS A 85 -13.439 -2.114 4.539 1.00 0.00 C ATOM 1477 CE LYS A 85 -12.983 -1.315 3.317 1.00 0.00 C ATOM 1478 NZ LYS A 85 -14.190 -0.562 2.878 1.00 0.00 N ATOM 0 H LYS A 85 -11.627 -6.517 7.580 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.893 -4.901 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.518 -4.477 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.155 -3.067 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.415 -2.401 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.013 -3.711 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.306 -2.723 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.748 -1.436 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.166 -0.639 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.620 -1.973 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.957 0.011 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.949 -1.232 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.509 0.061 3.647 1.00 0.00 H new ATOM 1492 N TYR A 86 -9.393 -3.879 7.884 1.00 0.00 N ATOM 1493 CA TYR A 86 -8.485 -3.004 8.673 1.00 0.00 C ATOM 1494 C TYR A 86 -7.103 -2.941 8.008 1.00 0.00 C ATOM 1495 O TYR A 86 -6.670 -1.893 7.567 1.00 0.00 O ATOM 1496 CB TYR A 86 -8.387 -3.684 10.037 1.00 0.00 C ATOM 1497 CG TYR A 86 -9.580 -3.308 10.877 1.00 0.00 C ATOM 1498 CD1 TYR A 86 -10.837 -3.887 10.634 1.00 0.00 C ATOM 1499 CD2 TYR A 86 -9.425 -2.372 11.904 1.00 0.00 C ATOM 1500 CE1 TYR A 86 -11.933 -3.520 11.429 1.00 0.00 C ATOM 1501 CE2 TYR A 86 -10.520 -2.010 12.696 1.00 0.00 C ATOM 1502 CZ TYR A 86 -11.772 -2.583 12.458 1.00 0.00 C ATOM 1503 OH TYR A 86 -12.853 -2.224 13.238 1.00 0.00 O ATOM 0 H TYR A 86 -8.963 -4.729 7.519 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.850 -1.980 8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.344 -4.766 9.913 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.467 -3.384 10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.959 -4.610 9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.458 -1.927 12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.902 -3.960 11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.398 -1.289 13.490 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.539 -1.937 14.121 1.00 0.00 H new ATOM 1513 N ALA A 87 -6.410 -4.055 7.930 1.00 0.00 N ATOM 1514 CA ALA A 87 -5.060 -4.055 7.291 1.00 0.00 C ATOM 1515 C ALA A 87 -5.080 -4.905 6.013 1.00 0.00 C ATOM 1516 O ALA A 87 -6.128 -5.335 5.569 1.00 0.00 O ATOM 1517 CB ALA A 87 -4.126 -4.673 8.335 1.00 0.00 C ATOM 0 H ALA A 87 -6.723 -4.960 8.281 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.739 -3.054 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.111 -4.708 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.142 -4.067 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.460 -5.684 8.569 1.00 0.00 H new ATOM 1523 N ASP A 88 -3.932 -5.150 5.411 1.00 0.00 N ATOM 1524 CA ASP A 88 -3.902 -5.969 4.163 1.00 0.00 C ATOM 1525 C ASP A 88 -2.975 -7.181 4.344 1.00 0.00 C ATOM 1526 O ASP A 88 -1.767 -7.048 4.286 1.00 0.00 O ATOM 1527 CB ASP A 88 -3.349 -5.030 3.092 1.00 0.00 C ATOM 1528 CG ASP A 88 -3.678 -5.582 1.705 1.00 0.00 C ATOM 1529 OD1 ASP A 88 -3.651 -6.792 1.550 1.00 0.00 O ATOM 1530 OD2 ASP A 88 -3.949 -4.787 0.820 1.00 0.00 O ATOM 0 H ASP A 88 -3.023 -4.817 5.733 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.885 -6.359 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.779 -4.035 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.270 -4.927 3.207 1.00 0.00 H new ATOM 1535 N LYS A 89 -3.522 -8.362 4.556 1.00 0.00 N ATOM 1536 CA LYS A 89 -2.633 -9.567 4.731 1.00 0.00 C ATOM 1537 C LYS A 89 -1.967 -9.923 3.395 1.00 0.00 C ATOM 1538 O LYS A 89 -0.799 -10.266 3.358 1.00 0.00 O ATOM 1539 CB LYS A 89 -3.528 -10.727 5.205 1.00 0.00 C ATOM 1540 CG LYS A 89 -3.589 -10.743 6.739 1.00 0.00 C ATOM 1541 CD LYS A 89 -3.336 -12.164 7.253 1.00 0.00 C ATOM 1542 CE LYS A 89 -4.642 -12.961 7.227 1.00 0.00 C ATOM 1543 NZ LYS A 89 -5.135 -12.940 8.633 1.00 0.00 N ATOM 0 H LYS A 89 -4.524 -8.543 4.615 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.845 -9.368 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.531 -10.616 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.135 -11.675 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.845 -10.060 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.564 -10.392 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.586 -12.657 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.940 -12.129 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.366 -12.510 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.475 -13.982 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.175 -12.950 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.779 -13.776 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.796 -12.079 9.107 1.00 0.00 H new ATOM 1557 N LEU A 90 -2.690 -9.842 2.294 1.00 0.00 N ATOM 1558 CA LEU A 90 -2.057 -10.180 0.969 1.00 0.00 C ATOM 1559 C LEU A 90 -0.909 -9.202 0.682 1.00 0.00 C ATOM 1560 O LEU A 90 0.175 -9.613 0.308 1.00 0.00 O ATOM 1561 CB LEU A 90 -3.157 -10.052 -0.100 1.00 0.00 C ATOM 1562 CG LEU A 90 -2.694 -10.717 -1.401 1.00 0.00 C ATOM 1563 CD1 LEU A 90 -2.468 -12.214 -1.168 1.00 0.00 C ATOM 1564 CD2 LEU A 90 -3.766 -10.530 -2.476 1.00 0.00 C ATOM 0 H LEU A 90 -3.670 -9.563 2.254 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.644 -11.189 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.076 -10.521 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.383 -9.001 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.761 -10.257 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.139 -12.681 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.705 -12.352 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.399 -12.676 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.439 -11.002 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.698 -10.988 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.927 -9.466 -2.648 1.00 0.00 H new ATOM 1576 N LEU A 91 -1.124 -7.912 0.867 1.00 0.00 N ATOM 1577 CA LEU A 91 -0.007 -6.935 0.609 1.00 0.00 C ATOM 1578 C LEU A 91 1.113 -7.177 1.631 1.00 0.00 C ATOM 1579 O LEU A 91 2.276 -7.234 1.273 1.00 0.00 O ATOM 1580 CB LEU A 91 -0.591 -5.521 0.767 1.00 0.00 C ATOM 1581 CG LEU A 91 0.506 -4.475 0.526 1.00 0.00 C ATOM 1582 CD1 LEU A 91 1.029 -4.588 -0.909 1.00 0.00 C ATOM 1583 CD2 LEU A 91 -0.071 -3.077 0.744 1.00 0.00 C ATOM 0 H LEU A 91 -2.004 -7.502 1.178 1.00 0.00 H new ATOM 0 HA LEU A 91 0.410 -7.055 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.408 -5.374 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.009 -5.400 1.767 1.00 0.00 H new ATOM 0 HG LEU A 91 1.326 -4.649 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.807 -3.842 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.442 -5.584 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.211 -4.418 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.706 -2.332 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.893 -2.910 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.438 -2.990 1.767 1.00 0.00 H new ATOM 1595 N ILE A 92 0.778 -7.349 2.900 1.00 0.00 N ATOM 1596 CA ILE A 92 1.857 -7.619 3.920 1.00 0.00 C ATOM 1597 C ILE A 92 2.626 -8.895 3.504 1.00 0.00 C ATOM 1598 O ILE A 92 3.830 -8.971 3.666 1.00 0.00 O ATOM 1599 CB ILE A 92 1.149 -7.790 5.290 1.00 0.00 C ATOM 1600 CG1 ILE A 92 0.670 -6.414 5.777 1.00 0.00 C ATOM 1601 CG2 ILE A 92 2.118 -8.377 6.326 1.00 0.00 C ATOM 1602 CD1 ILE A 92 -0.127 -6.558 7.081 1.00 0.00 C ATOM 0 H ILE A 92 -0.174 -7.315 3.266 1.00 0.00 H new ATOM 0 HA ILE A 92 2.581 -6.807 3.986 1.00 0.00 H new ATOM 0 HB ILE A 92 0.304 -8.469 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.526 -5.759 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.049 -5.946 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.605 -8.490 7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.469 -9.351 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.969 -7.707 6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.460 -5.575 7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.994 -7.196 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.506 -7.005 7.847 1.00 0.00 H new ATOM 1614 N ALA A 93 1.948 -9.885 2.948 1.00 0.00 N ATOM 1615 CA ALA A 93 2.677 -11.128 2.507 1.00 0.00 C ATOM 1616 C ALA A 93 3.669 -10.765 1.390 1.00 0.00 C ATOM 1617 O ALA A 93 4.782 -11.257 1.366 1.00 0.00 O ATOM 1618 CB ALA A 93 1.616 -12.107 1.978 1.00 0.00 C ATOM 0 H ALA A 93 0.941 -9.886 2.784 1.00 0.00 H new ATOM 0 HA ALA A 93 3.235 -11.576 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.101 -13.025 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.906 -12.338 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.087 -11.653 1.140 1.00 0.00 H new ATOM 1624 N LYS A 94 3.286 -9.895 0.468 1.00 0.00 N ATOM 1625 CA LYS A 94 4.243 -9.505 -0.634 1.00 0.00 C ATOM 1626 C LYS A 94 5.509 -8.893 -0.017 1.00 0.00 C ATOM 1627 O LYS A 94 6.614 -9.262 -0.369 1.00 0.00 O ATOM 1628 CB LYS A 94 3.530 -8.452 -1.503 1.00 0.00 C ATOM 1629 CG LYS A 94 2.758 -9.136 -2.634 1.00 0.00 C ATOM 1630 CD LYS A 94 3.732 -9.877 -3.553 1.00 0.00 C ATOM 1631 CE LYS A 94 3.149 -9.951 -4.972 1.00 0.00 C ATOM 1632 NZ LYS A 94 2.864 -11.395 -5.201 1.00 0.00 N ATOM 0 H LYS A 94 2.371 -9.447 0.431 1.00 0.00 H new ATOM 0 HA LYS A 94 4.529 -10.372 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.847 -7.865 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.260 -7.758 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.031 -9.835 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.198 -8.395 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.693 -9.363 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.915 -10.882 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.242 -9.352 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.855 -9.567 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.090 -11.491 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.716 -11.863 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.587 -11.841 -4.303 1.00 0.00 H new ATOM 1646 N TRP A 95 5.356 -7.966 0.908 1.00 0.00 N ATOM 1647 CA TRP A 95 6.573 -7.345 1.547 1.00 0.00 C ATOM 1648 C TRP A 95 7.430 -8.429 2.231 1.00 0.00 C ATOM 1649 O TRP A 95 8.642 -8.328 2.263 1.00 0.00 O ATOM 1650 CB TRP A 95 6.064 -6.331 2.589 1.00 0.00 C ATOM 1651 CG TRP A 95 5.766 -5.016 1.927 1.00 0.00 C ATOM 1652 CD1 TRP A 95 6.515 -4.439 0.956 1.00 0.00 C ATOM 1653 CD2 TRP A 95 4.656 -4.103 2.176 1.00 0.00 C ATOM 1654 NE1 TRP A 95 5.937 -3.236 0.597 1.00 0.00 N ATOM 1655 CE2 TRP A 95 4.789 -2.985 1.319 1.00 0.00 C ATOM 1656 CE3 TRP A 95 3.557 -4.135 3.054 1.00 0.00 C ATOM 1657 CZ2 TRP A 95 3.869 -1.937 1.330 1.00 0.00 C ATOM 1658 CZ3 TRP A 95 2.626 -3.082 3.068 1.00 0.00 C ATOM 1659 CH2 TRP A 95 2.783 -1.985 2.207 1.00 0.00 C ATOM 0 H TRP A 95 4.459 -7.617 1.244 1.00 0.00 H new ATOM 0 HA TRP A 95 7.197 -6.855 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.166 -6.715 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.812 -6.193 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.418 -4.853 0.531 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.314 -2.610 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.428 -4.974 3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.995 -1.095 0.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.785 -3.117 3.745 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.065 -1.179 2.223 1.00 0.00 H new ATOM 1670 N ARG A 96 6.819 -9.467 2.770 1.00 0.00 N ATOM 1671 CA ARG A 96 7.627 -10.549 3.437 1.00 0.00 C ATOM 1672 C ARG A 96 8.173 -11.547 2.396 1.00 0.00 C ATOM 1673 O ARG A 96 9.228 -12.122 2.589 1.00 0.00 O ATOM 1674 CB ARG A 96 6.678 -11.263 4.412 1.00 0.00 C ATOM 1675 CG ARG A 96 6.434 -10.375 5.637 1.00 0.00 C ATOM 1676 CD ARG A 96 4.966 -10.484 6.076 1.00 0.00 C ATOM 1677 NE ARG A 96 5.016 -10.985 7.485 1.00 0.00 N ATOM 1678 CZ ARG A 96 5.249 -12.261 7.757 1.00 0.00 C ATOM 1679 NH1 ARG A 96 5.441 -13.142 6.801 1.00 0.00 N ATOM 1680 NH2 ARG A 96 5.290 -12.659 9.002 1.00 0.00 N ATOM 0 H ARG A 96 5.809 -9.610 2.777 1.00 0.00 H new ATOM 0 HA ARG A 96 8.487 -10.126 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.732 -11.485 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.108 -12.216 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.090 -10.677 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.676 -9.339 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.465 -9.518 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.412 -11.169 5.434 1.00 0.00 H new ATOM 0 HE ARG A 96 4.868 -10.330 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.412 -12.849 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.619 -14.119 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.143 -11.989 9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.469 -13.640 9.218 1.00 0.00 H new ATOM 1694 N LYS A 97 7.471 -11.765 1.298 1.00 0.00 N ATOM 1695 CA LYS A 97 7.978 -12.739 0.256 1.00 0.00 C ATOM 1696 C LYS A 97 9.413 -12.380 -0.171 1.00 0.00 C ATOM 1697 O LYS A 97 10.003 -11.448 0.343 1.00 0.00 O ATOM 1698 CB LYS A 97 7.048 -12.603 -0.961 1.00 0.00 C ATOM 1699 CG LYS A 97 5.875 -13.572 -0.854 1.00 0.00 C ATOM 1700 CD LYS A 97 6.389 -15.014 -0.853 1.00 0.00 C ATOM 1701 CE LYS A 97 5.315 -15.940 -1.428 1.00 0.00 C ATOM 1702 NZ LYS A 97 5.562 -17.261 -0.785 1.00 0.00 N ATOM 0 H LYS A 97 6.581 -11.318 1.078 1.00 0.00 H new ATOM 0 HA LYS A 97 7.986 -13.753 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.676 -11.581 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.607 -12.800 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.313 -13.377 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.190 -13.421 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.301 -15.086 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.643 -15.320 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.314 -15.572 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.392 -16.008 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.864 -17.951 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.520 -17.589 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.475 -17.166 0.247 1.00 0.00 H new ATOM 1716 N THR A 98 9.975 -13.102 -1.122 1.00 0.00 N ATOM 1717 CA THR A 98 11.363 -12.780 -1.584 1.00 0.00 C ATOM 1718 C THR A 98 11.303 -12.050 -2.934 1.00 0.00 C ATOM 1719 O THR A 98 10.571 -12.445 -3.822 1.00 0.00 O ATOM 1720 CB THR A 98 12.078 -14.128 -1.729 1.00 0.00 C ATOM 1721 OG1 THR A 98 11.538 -15.052 -0.793 1.00 0.00 O ATOM 1722 CG2 THR A 98 13.573 -13.946 -1.463 1.00 0.00 C ATOM 0 H THR A 98 9.533 -13.892 -1.591 1.00 0.00 H new ATOM 0 HA THR A 98 11.888 -12.129 -0.885 1.00 0.00 H new ATOM 0 HB THR A 98 11.935 -14.508 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 98 11.993 -15.915 -0.886 1.00 0.00 H new ATOM 0 HG21 THR A 98 14.080 -14.905 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 98 13.987 -13.237 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.719 -13.565 -0.452 1.00 0.00 H new ATOM 1730 N GLY A 99 12.058 -10.983 -3.095 1.00 0.00 N ATOM 1731 CA GLY A 99 12.028 -10.230 -4.384 1.00 0.00 C ATOM 1732 C GLY A 99 11.055 -9.029 -4.305 1.00 0.00 C ATOM 1733 O GLY A 99 10.752 -8.425 -5.318 1.00 0.00 O ATOM 0 H GLY A 99 12.690 -10.607 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.030 -9.875 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.723 -10.896 -5.191 1.00 0.00 H new ATOM 1737 N TYR A 100 10.563 -8.667 -3.130 1.00 0.00 N ATOM 1738 CA TYR A 100 9.627 -7.506 -3.036 1.00 0.00 C ATOM 1739 C TYR A 100 10.248 -6.403 -2.162 1.00 0.00 C ATOM 1740 O TYR A 100 9.809 -6.167 -1.050 1.00 0.00 O ATOM 1741 CB TYR A 100 8.368 -8.066 -2.377 1.00 0.00 C ATOM 1742 CG TYR A 100 7.607 -8.904 -3.372 1.00 0.00 C ATOM 1743 CD1 TYR A 100 7.042 -8.310 -4.507 1.00 0.00 C ATOM 1744 CD2 TYR A 100 7.463 -10.275 -3.154 1.00 0.00 C ATOM 1745 CE1 TYR A 100 6.334 -9.094 -5.425 1.00 0.00 C ATOM 1746 CE2 TYR A 100 6.756 -11.060 -4.068 1.00 0.00 C ATOM 1747 CZ TYR A 100 6.190 -10.470 -5.206 1.00 0.00 C ATOM 1748 OH TYR A 100 5.491 -11.245 -6.110 1.00 0.00 O ATOM 0 H TYR A 100 10.773 -9.128 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 100 9.413 -7.063 -4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.637 -8.668 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.740 -7.251 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.152 -7.249 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.899 -10.730 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.899 -8.638 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.646 -12.121 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 100 5.684 -12.192 -5.947 1.00 0.00 H new ATOM 1758 N GLU A 101 11.265 -5.725 -2.650 1.00 0.00 N ATOM 1759 CA GLU A 101 11.901 -4.640 -1.828 1.00 0.00 C ATOM 1760 C GLU A 101 11.308 -3.267 -2.189 1.00 0.00 C ATOM 1761 O GLU A 101 11.148 -2.420 -1.329 1.00 0.00 O ATOM 1762 CB GLU A 101 13.398 -4.680 -2.159 1.00 0.00 C ATOM 1763 CG GLU A 101 14.207 -4.290 -0.920 1.00 0.00 C ATOM 1764 CD GLU A 101 15.610 -3.850 -1.341 1.00 0.00 C ATOM 1765 OE1 GLU A 101 15.705 -2.970 -2.182 1.00 0.00 O ATOM 1766 OE2 GLU A 101 16.563 -4.400 -0.818 1.00 0.00 O ATOM 0 H GLU A 101 11.678 -5.873 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 101 11.722 -4.794 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.681 -5.679 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.618 -3.997 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.707 -3.482 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.270 -5.135 -0.234 1.00 0.00 H new ATOM 1773 N LYS A 102 10.986 -3.029 -3.446 1.00 0.00 N ATOM 1774 CA LYS A 102 10.417 -1.703 -3.831 1.00 0.00 C ATOM 1775 C LYS A 102 9.043 -1.874 -4.503 1.00 0.00 C ATOM 1776 O LYS A 102 8.912 -1.696 -5.701 1.00 0.00 O ATOM 1777 CB LYS A 102 11.428 -1.115 -4.817 1.00 0.00 C ATOM 1778 CG LYS A 102 12.578 -0.461 -4.048 1.00 0.00 C ATOM 1779 CD LYS A 102 12.321 1.044 -3.913 1.00 0.00 C ATOM 1780 CE LYS A 102 13.095 1.799 -4.999 1.00 0.00 C ATOM 1781 NZ LYS A 102 13.710 2.961 -4.298 1.00 0.00 N ATOM 0 H LYS A 102 11.094 -3.695 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 102 10.260 -1.058 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.813 -1.899 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.941 -0.379 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.672 -0.913 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.520 -0.633 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.254 1.250 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.630 1.389 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.856 1.165 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.432 2.127 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.257 3.527 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.962 3.550 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.341 2.618 -3.546 1.00 0.00 H new ATOM 1795 N LEU A 103 8.013 -2.207 -3.748 1.00 0.00 N ATOM 1796 CA LEU A 103 6.663 -2.369 -4.366 1.00 0.00 C ATOM 1797 C LEU A 103 5.654 -1.414 -3.687 1.00 0.00 C ATOM 1798 O LEU A 103 5.846 -1.017 -2.552 1.00 0.00 O ATOM 1799 CB LEU A 103 6.300 -3.861 -4.174 1.00 0.00 C ATOM 1800 CG LEU A 103 5.657 -4.118 -2.802 1.00 0.00 C ATOM 1801 CD1 LEU A 103 4.140 -3.923 -2.911 1.00 0.00 C ATOM 1802 CD2 LEU A 103 5.960 -5.550 -2.352 1.00 0.00 C ATOM 0 H LEU A 103 8.055 -2.370 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 103 6.645 -2.111 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.614 -4.173 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.198 -4.470 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 103 6.064 -3.419 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.679 -4.104 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.926 -2.903 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.735 -4.623 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.503 -5.730 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.554 -6.253 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.039 -5.687 -2.277 1.00 0.00 H new ATOM 1814 N CYS A 104 4.597 -1.034 -4.373 1.00 0.00 N ATOM 1815 CA CYS A 104 3.607 -0.092 -3.751 1.00 0.00 C ATOM 1816 C CYS A 104 2.202 -0.711 -3.557 1.00 0.00 C ATOM 1817 O CYS A 104 1.520 -0.359 -2.615 1.00 0.00 O ATOM 1818 CB CYS A 104 3.570 1.143 -4.664 1.00 0.00 C ATOM 1819 SG CYS A 104 3.074 0.720 -6.356 1.00 0.00 S ATOM 0 H CYS A 104 4.379 -1.331 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 104 3.919 0.164 -2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 104 2.875 1.876 -4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.554 1.611 -4.681 1.00 0.00 H new ATOM 1824 N CYS A 105 1.750 -1.622 -4.398 1.00 0.00 N ATOM 1825 CA CYS A 105 0.385 -2.219 -4.174 1.00 0.00 C ATOM 1826 C CYS A 105 0.405 -3.720 -4.517 1.00 0.00 C ATOM 1827 O CYS A 105 1.457 -4.300 -4.710 1.00 0.00 O ATOM 1828 CB CYS A 105 -0.592 -1.508 -5.126 1.00 0.00 C ATOM 1829 SG CYS A 105 -0.350 0.293 -5.156 1.00 0.00 S ATOM 0 H CYS A 105 2.255 -1.972 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 105 0.087 -2.097 -3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.466 -1.905 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.615 -1.729 -4.822 1.00 0.00 H new ATOM 1834 N LEU A 106 -0.753 -4.353 -4.615 1.00 0.00 N ATOM 1835 CA LEU A 106 -0.782 -5.814 -4.967 1.00 0.00 C ATOM 1836 C LEU A 106 -1.008 -5.985 -6.482 1.00 0.00 C ATOM 1837 O LEU A 106 -0.393 -6.830 -7.105 1.00 0.00 O ATOM 1838 CB LEU A 106 -1.937 -6.423 -4.164 1.00 0.00 C ATOM 1839 CG LEU A 106 -1.462 -6.733 -2.743 1.00 0.00 C ATOM 1840 CD1 LEU A 106 -2.641 -7.235 -1.909 1.00 0.00 C ATOM 1841 CD2 LEU A 106 -0.373 -7.809 -2.787 1.00 0.00 C ATOM 0 H LEU A 106 -1.666 -3.923 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 106 0.159 -6.309 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.779 -5.731 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.290 -7.334 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.057 -5.827 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.303 -7.456 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.415 -6.468 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.047 -8.140 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.037 -8.028 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.775 -8.715 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.469 -7.451 -3.379 1.00 0.00 H new ATOM 1853 N ARG A 107 -1.853 -5.170 -7.092 1.00 0.00 N ATOM 1854 CA ARG A 107 -2.063 -5.282 -8.578 1.00 0.00 C ATOM 1855 C ARG A 107 -1.277 -4.165 -9.310 1.00 0.00 C ATOM 1856 O ARG A 107 -1.663 -3.723 -10.373 1.00 0.00 O ATOM 1857 CB ARG A 107 -3.571 -5.111 -8.798 1.00 0.00 C ATOM 1858 CG ARG A 107 -3.956 -5.678 -10.165 1.00 0.00 C ATOM 1859 CD ARG A 107 -4.287 -7.166 -10.028 1.00 0.00 C ATOM 1860 NE ARG A 107 -4.656 -7.608 -11.408 1.00 0.00 N ATOM 1861 CZ ARG A 107 -5.830 -7.299 -11.938 1.00 0.00 C ATOM 1862 NH1 ARG A 107 -6.718 -6.594 -11.273 1.00 0.00 N ATOM 1863 NH2 ARG A 107 -6.119 -7.701 -13.149 1.00 0.00 N ATOM 0 H ARG A 107 -2.398 -4.443 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.709 -6.236 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.124 -5.624 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.840 -4.056 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.815 -5.139 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.137 -5.541 -10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.433 -7.727 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.109 -7.325 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.991 -8.158 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.510 -6.272 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.615 -6.368 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.442 -8.249 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.021 -7.466 -13.563 1.00 0.00 H new ATOM 1877 N CYS A 108 -0.181 -3.705 -8.739 1.00 0.00 N ATOM 1878 CA CYS A 108 0.639 -2.620 -9.369 1.00 0.00 C ATOM 1879 C CYS A 108 2.121 -3.088 -9.474 1.00 0.00 C ATOM 1880 O CYS A 108 3.004 -2.281 -9.680 1.00 0.00 O ATOM 1881 CB CYS A 108 0.494 -1.497 -8.330 1.00 0.00 C ATOM 1882 SG CYS A 108 0.562 0.184 -9.000 1.00 0.00 S ATOM 0 H CYS A 108 0.182 -4.044 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 108 0.336 -2.333 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.455 -1.626 -7.809 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.283 -1.607 -7.586 1.00 0.00 H new ATOM 1887 N ILE A 109 2.402 -4.386 -9.315 1.00 0.00 N ATOM 1888 CA ILE A 109 3.821 -4.888 -9.378 1.00 0.00 C ATOM 1889 C ILE A 109 3.860 -6.404 -9.678 1.00 0.00 C ATOM 1890 O ILE A 109 4.684 -7.115 -9.128 1.00 0.00 O ATOM 1891 CB ILE A 109 4.403 -4.667 -7.961 1.00 0.00 C ATOM 1892 CG1 ILE A 109 3.486 -5.330 -6.905 1.00 0.00 C ATOM 1893 CG2 ILE A 109 4.534 -3.173 -7.655 1.00 0.00 C ATOM 1894 CD1 ILE A 109 4.263 -6.390 -6.115 1.00 0.00 C ATOM 0 H ILE A 109 1.702 -5.108 -9.145 1.00 0.00 H new ATOM 0 HA ILE A 109 4.375 -4.370 -10.161 1.00 0.00 H new ATOM 0 HB ILE A 109 5.393 -5.121 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.097 -4.573 -6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.628 -5.789 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.945 -3.041 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.198 -2.709 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.552 -2.703 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.605 -6.848 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.630 -7.156 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.107 -5.921 -5.609 1.00 0.00 H new ATOM 1906 N GLN A 110 2.982 -6.918 -10.518 1.00 0.00 N ATOM 1907 CA GLN A 110 3.005 -8.394 -10.792 1.00 0.00 C ATOM 1908 C GLN A 110 3.000 -8.691 -12.300 1.00 0.00 C ATOM 1909 O GLN A 110 2.347 -8.016 -13.070 1.00 0.00 O ATOM 1910 CB GLN A 110 1.741 -8.954 -10.125 1.00 0.00 C ATOM 1911 CG GLN A 110 0.489 -8.254 -10.673 1.00 0.00 C ATOM 1912 CD GLN A 110 -0.594 -9.296 -10.988 1.00 0.00 C ATOM 1913 OE1 GLN A 110 -0.531 -9.959 -12.005 1.00 0.00 O ATOM 1914 NE2 GLN A 110 -1.592 -9.473 -10.157 1.00 0.00 N ATOM 0 H GLN A 110 2.265 -6.389 -11.015 1.00 0.00 H new ATOM 0 HA GLN A 110 3.913 -8.852 -10.399 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.673 -10.027 -10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.800 -8.814 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.114 -7.536 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.740 -7.693 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.649 -8.919 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.312 -10.165 -10.365 1.00 0.00 H new ATOM 1923 N LYS A 111 3.727 -9.706 -12.728 1.00 0.00 N ATOM 1924 CA LYS A 111 3.762 -10.050 -14.181 1.00 0.00 C ATOM 1925 C LYS A 111 3.679 -11.576 -14.365 1.00 0.00 C ATOM 1926 O LYS A 111 3.458 -12.304 -13.415 1.00 0.00 O ATOM 1927 CB LYS A 111 5.106 -9.513 -14.691 1.00 0.00 C ATOM 1928 CG LYS A 111 6.258 -10.155 -13.910 1.00 0.00 C ATOM 1929 CD LYS A 111 7.590 -9.776 -14.562 1.00 0.00 C ATOM 1930 CE LYS A 111 7.949 -8.336 -14.190 1.00 0.00 C ATOM 1931 NZ LYS A 111 9.166 -8.025 -14.991 1.00 0.00 N ATOM 0 H LYS A 111 4.294 -10.306 -12.129 1.00 0.00 H new ATOM 0 HA LYS A 111 2.924 -9.618 -14.728 1.00 0.00 H new ATOM 0 HB2 LYS A 111 5.213 -9.728 -15.754 1.00 0.00 H new ATOM 0 HB3 LYS A 111 5.140 -8.429 -14.580 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.240 -9.820 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 111 6.143 -11.239 -13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.376 -10.455 -14.230 1.00 0.00 H new ATOM 0 HD3 LYS A 111 7.518 -9.876 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.134 -7.652 -14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.144 -8.241 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.474 -7.052 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 9.926 -8.688 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.948 -8.117 -16.004 1.00 0.00 H new ATOM 1945 N ASN A 112 3.853 -12.068 -15.576 1.00 0.00 N ATOM 1946 CA ASN A 112 3.781 -13.546 -15.799 1.00 0.00 C ATOM 1947 C ASN A 112 4.726 -13.964 -16.938 1.00 0.00 C ATOM 1948 O ASN A 112 5.614 -14.772 -16.743 1.00 0.00 O ATOM 1949 CB ASN A 112 2.326 -13.816 -16.185 1.00 0.00 C ATOM 1950 CG ASN A 112 1.535 -14.234 -14.939 1.00 0.00 C ATOM 1951 OD1 ASN A 112 0.626 -13.541 -14.528 1.00 0.00 O ATOM 1952 ND2 ASN A 112 1.840 -15.345 -14.313 1.00 0.00 N ATOM 0 H ASN A 112 4.040 -11.511 -16.410 1.00 0.00 H new ATOM 0 HA ASN A 112 4.083 -14.110 -14.916 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.884 -12.923 -16.627 1.00 0.00 H new ATOM 0 HB3 ASN A 112 2.279 -14.601 -16.939 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.315 -15.624 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.603 -15.930 -14.655 1.00 0.00 H new ATOM 1959 N GLU A 113 4.542 -13.425 -18.127 1.00 0.00 N ATOM 1960 CA GLU A 113 5.432 -13.802 -19.267 1.00 0.00 C ATOM 1961 C GLU A 113 5.730 -12.563 -20.132 1.00 0.00 C ATOM 1962 O GLU A 113 5.530 -11.444 -19.698 1.00 0.00 O ATOM 1963 CB GLU A 113 4.635 -14.848 -20.062 1.00 0.00 C ATOM 1964 CG GLU A 113 5.475 -16.116 -20.237 1.00 0.00 C ATOM 1965 CD GLU A 113 4.558 -17.341 -20.226 1.00 0.00 C ATOM 1966 OE1 GLU A 113 3.792 -17.492 -21.163 1.00 0.00 O ATOM 1967 OE2 GLU A 113 4.639 -18.109 -19.280 1.00 0.00 O ATOM 0 H GLU A 113 3.816 -12.744 -18.351 1.00 0.00 H new ATOM 0 HA GLU A 113 6.394 -14.195 -18.937 1.00 0.00 H new ATOM 0 HB2 GLU A 113 3.707 -15.084 -19.541 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.360 -14.445 -21.037 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.029 -16.072 -21.175 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.210 -16.192 -19.436 1.00 0.00 H new ATOM 1974 N THR A 114 6.201 -12.746 -21.351 1.00 0.00 N ATOM 1975 CA THR A 114 6.497 -11.553 -22.221 1.00 0.00 C ATOM 1976 C THR A 114 5.216 -11.084 -22.930 1.00 0.00 C ATOM 1977 O THR A 114 4.996 -9.897 -23.085 1.00 0.00 O ATOM 1978 CB THR A 114 7.542 -12.011 -23.251 1.00 0.00 C ATOM 1979 OG1 THR A 114 7.158 -13.273 -23.784 1.00 0.00 O ATOM 1980 CG2 THR A 114 8.908 -12.136 -22.574 1.00 0.00 C ATOM 0 H THR A 114 6.390 -13.654 -21.775 1.00 0.00 H new ATOM 0 HA THR A 114 6.870 -10.716 -21.631 1.00 0.00 H new ATOM 0 HB THR A 114 7.604 -11.279 -24.056 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.822 -13.566 -24.442 1.00 0.00 H new ATOM 0 HG21 THR A 114 9.648 -12.461 -23.305 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.202 -11.169 -22.166 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.849 -12.867 -21.768 1.00 0.00 H new ATOM 1988 N ASN A 115 4.367 -11.998 -23.360 1.00 0.00 N ATOM 1989 CA ASN A 115 3.108 -11.580 -24.050 1.00 0.00 C ATOM 1990 C ASN A 115 1.891 -11.903 -23.167 1.00 0.00 C ATOM 1991 O ASN A 115 1.952 -12.777 -22.324 1.00 0.00 O ATOM 1992 CB ASN A 115 3.065 -12.396 -25.345 1.00 0.00 C ATOM 1993 CG ASN A 115 3.689 -11.581 -26.485 1.00 0.00 C ATOM 1994 OD1 ASN A 115 4.654 -10.873 -26.277 1.00 0.00 O ATOM 1995 ND2 ASN A 115 3.180 -11.647 -27.691 1.00 0.00 N ATOM 0 H ASN A 115 4.495 -13.005 -23.261 1.00 0.00 H new ATOM 0 HA ASN A 115 3.084 -10.509 -24.249 1.00 0.00 H new ATOM 0 HB2 ASN A 115 3.607 -13.333 -25.215 1.00 0.00 H new ATOM 0 HB3 ASN A 115 2.035 -12.655 -25.590 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.594 -11.105 -28.450 1.00 0.00 H new ATOM 0 HD22 ASN A 115 2.370 -12.240 -27.871 1.00 0.00 H new ATOM 2002 N ASN A 116 0.785 -11.205 -23.349 1.00 0.00 N ATOM 2003 CA ASN A 116 -0.434 -11.475 -22.514 1.00 0.00 C ATOM 2004 C ASN A 116 -0.089 -11.420 -21.014 1.00 0.00 C ATOM 2005 O ASN A 116 -0.428 -12.318 -20.266 1.00 0.00 O ATOM 2006 CB ASN A 116 -0.896 -12.882 -22.908 1.00 0.00 C ATOM 2007 CG ASN A 116 -1.240 -12.909 -24.403 1.00 0.00 C ATOM 2008 OD1 ASN A 116 -1.584 -11.894 -24.973 1.00 0.00 O ATOM 2009 ND2 ASN A 116 -1.162 -14.035 -25.072 1.00 0.00 N ATOM 0 H ASN A 116 0.677 -10.462 -24.039 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.212 -10.731 -22.684 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.112 -13.607 -22.691 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -1.767 -13.168 -22.319 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -1.390 -14.054 -26.066 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.873 -14.891 -24.598 1.00 0.00 H new ATOM 2016 N GLY A 117 0.582 -10.377 -20.569 1.00 0.00 N ATOM 2017 CA GLY A 117 0.941 -10.278 -19.123 1.00 0.00 C ATOM 2018 C GLY A 117 0.080 -9.196 -18.453 1.00 0.00 C ATOM 2019 O GLY A 117 -0.712 -8.542 -19.105 1.00 0.00 O ATOM 0 H GLY A 117 0.893 -9.596 -21.147 1.00 0.00 H new ATOM 0 HA2 GLY A 117 0.784 -11.238 -18.632 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.998 -10.034 -19.016 1.00 0.00 H new ATOM 2023 N SER A 118 0.224 -9.000 -17.157 1.00 0.00 N ATOM 2024 CA SER A 118 -0.593 -7.959 -16.463 1.00 0.00 C ATOM 2025 C SER A 118 0.218 -7.305 -15.330 1.00 0.00 C ATOM 2026 O SER A 118 0.061 -7.651 -14.174 1.00 0.00 O ATOM 2027 CB SER A 118 -1.794 -8.713 -15.895 1.00 0.00 C ATOM 2028 OG SER A 118 -2.702 -9.010 -16.947 1.00 0.00 O ATOM 0 H SER A 118 0.869 -9.516 -16.559 1.00 0.00 H new ATOM 0 HA SER A 118 -0.894 -7.157 -17.137 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.465 -9.633 -15.412 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.288 -8.112 -15.132 1.00 0.00 H new ATOM 0 HG SER A 118 -3.473 -9.495 -16.586 1.00 0.00 H new ATOM 2034 N THR A 119 1.082 -6.361 -15.649 1.00 0.00 N ATOM 2035 CA THR A 119 1.891 -5.695 -14.585 1.00 0.00 C ATOM 2036 C THR A 119 1.800 -4.171 -14.732 1.00 0.00 C ATOM 2037 O THR A 119 1.303 -3.671 -15.725 1.00 0.00 O ATOM 2038 CB THR A 119 3.330 -6.164 -14.819 1.00 0.00 C ATOM 2039 OG1 THR A 119 3.323 -7.530 -15.208 1.00 0.00 O ATOM 2040 CG2 THR A 119 4.152 -6.001 -13.533 1.00 0.00 C ATOM 0 H THR A 119 1.256 -6.029 -16.598 1.00 0.00 H new ATOM 0 HA THR A 119 1.539 -5.946 -13.585 1.00 0.00 H new ATOM 0 HB THR A 119 3.780 -5.560 -15.607 1.00 0.00 H new ATOM 0 HG1 THR A 119 2.614 -8.004 -14.725 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.174 -6.337 -13.709 1.00 0.00 H new ATOM 0 HG22 THR A 119 4.161 -4.952 -13.237 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.706 -6.598 -12.738 1.00 0.00 H new ATOM 2048 N CYS A 120 2.287 -3.424 -13.763 1.00 0.00 N ATOM 2049 CA CYS A 120 2.234 -1.934 -13.873 1.00 0.00 C ATOM 2050 C CYS A 120 3.608 -1.402 -14.310 1.00 0.00 C ATOM 2051 O CYS A 120 4.617 -2.047 -14.094 1.00 0.00 O ATOM 2052 CB CYS A 120 1.875 -1.425 -12.478 1.00 0.00 C ATOM 2053 SG CYS A 120 1.600 0.355 -12.560 1.00 0.00 S ATOM 0 H CYS A 120 2.715 -3.782 -12.909 1.00 0.00 H new ATOM 0 HA CYS A 120 1.504 -1.601 -14.611 1.00 0.00 H new ATOM 0 HB2 CYS A 120 0.980 -1.928 -12.112 1.00 0.00 H new ATOM 0 HB3 CYS A 120 2.678 -1.651 -11.776 1.00 0.00 H new ATOM 2058 N ILE A 121 3.662 -0.242 -14.932 1.00 0.00 N ATOM 2059 CA ILE A 121 4.994 0.298 -15.383 1.00 0.00 C ATOM 2060 C ILE A 121 5.836 0.759 -14.178 1.00 0.00 C ATOM 2061 O ILE A 121 7.043 0.604 -14.178 1.00 0.00 O ATOM 2062 CB ILE A 121 4.687 1.472 -16.347 1.00 0.00 C ATOM 2063 CG1 ILE A 121 5.967 1.878 -17.115 1.00 0.00 C ATOM 2064 CG2 ILE A 121 4.106 2.675 -15.585 1.00 0.00 C ATOM 2065 CD1 ILE A 121 6.998 2.566 -16.199 1.00 0.00 C ATOM 0 H ILE A 121 2.856 0.346 -15.145 1.00 0.00 H new ATOM 0 HA ILE A 121 5.582 -0.469 -15.887 1.00 0.00 H new ATOM 0 HB ILE A 121 3.938 1.140 -17.065 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.416 0.992 -17.565 1.00 0.00 H new ATOM 0 HG13 ILE A 121 5.702 2.550 -17.931 1.00 0.00 H new ATOM 0 HG21 ILE A 121 3.900 3.484 -16.285 1.00 0.00 H new ATOM 0 HG22 ILE A 121 3.181 2.380 -15.089 1.00 0.00 H new ATOM 0 HG23 ILE A 121 4.825 3.015 -14.839 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.880 2.833 -16.781 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.559 3.467 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.285 1.885 -15.398 1.00 0.00 H new ATOM 2077 N CYS A 122 5.227 1.339 -13.160 1.00 0.00 N ATOM 2078 CA CYS A 122 6.047 1.818 -11.987 1.00 0.00 C ATOM 2079 C CYS A 122 6.934 0.685 -11.425 1.00 0.00 C ATOM 2080 O CYS A 122 8.039 0.936 -10.980 1.00 0.00 O ATOM 2081 CB CYS A 122 5.054 2.389 -10.939 1.00 0.00 C ATOM 2082 SG CYS A 122 4.232 1.078 -9.979 1.00 0.00 S ATOM 0 H CYS A 122 4.222 1.499 -13.089 1.00 0.00 H new ATOM 0 HA CYS A 122 6.744 2.600 -12.287 1.00 0.00 H new ATOM 0 HB2 CYS A 122 5.588 3.053 -10.260 1.00 0.00 H new ATOM 0 HB3 CYS A 122 4.300 2.991 -11.446 1.00 0.00 H new ATOM 2087 N ARG A 123 6.483 -0.553 -11.467 1.00 0.00 N ATOM 2088 CA ARG A 123 7.357 -1.672 -10.955 1.00 0.00 C ATOM 2089 C ARG A 123 8.661 -1.724 -11.775 1.00 0.00 C ATOM 2090 O ARG A 123 9.712 -2.034 -11.247 1.00 0.00 O ATOM 2091 CB ARG A 123 6.571 -2.980 -11.137 1.00 0.00 C ATOM 2092 CG ARG A 123 6.944 -3.960 -10.022 1.00 0.00 C ATOM 2093 CD ARG A 123 8.414 -4.361 -10.163 1.00 0.00 C ATOM 2094 NE ARG A 123 8.552 -5.609 -9.353 1.00 0.00 N ATOM 2095 CZ ARG A 123 8.575 -5.572 -8.030 1.00 0.00 C ATOM 2096 NH1 ARG A 123 8.482 -4.438 -7.374 1.00 0.00 N ATOM 2097 NH2 ARG A 123 8.693 -6.687 -7.355 1.00 0.00 N ATOM 0 H ARG A 123 5.570 -0.835 -11.824 1.00 0.00 H new ATOM 0 HA ARG A 123 7.616 -1.520 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.500 -2.779 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.794 -3.418 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 123 6.773 -3.501 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.309 -4.844 -10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 123 8.677 -4.536 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.075 -3.576 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 123 8.630 -6.508 -9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.390 -3.560 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.502 -4.436 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 123 8.767 -7.577 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.711 -6.666 -6.335 1.00 0.00 H new ATOM 2111 N VAL A 124 8.606 -1.416 -13.061 1.00 0.00 N ATOM 2112 CA VAL A 124 9.861 -1.448 -13.890 1.00 0.00 C ATOM 2113 C VAL A 124 10.666 -0.152 -13.670 1.00 0.00 C ATOM 2114 O VAL A 124 10.138 0.926 -13.854 1.00 0.00 O ATOM 2115 CB VAL A 124 9.415 -1.543 -15.358 1.00 0.00 C ATOM 2116 CG1 VAL A 124 10.646 -1.659 -16.260 1.00 0.00 C ATOM 2117 CG2 VAL A 124 8.524 -2.776 -15.549 1.00 0.00 C ATOM 0 H VAL A 124 7.759 -1.148 -13.562 1.00 0.00 H new ATOM 0 HA VAL A 124 10.495 -2.291 -13.615 1.00 0.00 H new ATOM 0 HB VAL A 124 8.853 -0.647 -15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.329 -1.726 -17.301 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.277 -0.780 -16.129 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.209 -2.553 -15.994 1.00 0.00 H new ATOM 0 HG21 VAL A 124 8.210 -2.840 -16.591 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.083 -3.673 -15.283 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.645 -2.692 -14.910 1.00 0.00 H new ATOM 2127 N PRO A 125 11.921 -0.285 -13.292 1.00 0.00 N ATOM 2128 CA PRO A 125 12.772 0.916 -13.068 1.00 0.00 C ATOM 2129 C PRO A 125 12.998 1.679 -14.385 1.00 0.00 C ATOM 2130 O PRO A 125 12.580 1.239 -15.439 1.00 0.00 O ATOM 2131 CB PRO A 125 14.081 0.337 -12.531 1.00 0.00 C ATOM 2132 CG PRO A 125 14.103 -1.070 -13.028 1.00 0.00 C ATOM 2133 CD PRO A 125 12.670 -1.528 -13.042 1.00 0.00 C ATOM 0 HA PRO A 125 12.322 1.636 -12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 125 14.941 0.899 -12.894 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.113 0.373 -11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 125 14.540 -1.125 -14.025 1.00 0.00 H new ATOM 0 HG3 PRO A 125 14.709 -1.703 -12.380 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.492 -2.269 -13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 125 12.385 -1.986 -12.095 1.00 0.00 H new ATOM 2141 N ARG A 126 13.653 2.823 -14.332 1.00 0.00 N ATOM 2142 CA ARG A 126 13.892 3.608 -15.598 1.00 0.00 C ATOM 2143 C ARG A 126 14.999 2.956 -16.444 1.00 0.00 C ATOM 2144 O ARG A 126 14.930 2.965 -17.659 1.00 0.00 O ATOM 2145 CB ARG A 126 14.320 5.020 -15.168 1.00 0.00 C ATOM 2146 CG ARG A 126 13.077 5.875 -14.911 1.00 0.00 C ATOM 2147 CD ARG A 126 12.639 6.552 -16.214 1.00 0.00 C ATOM 2148 NE ARG A 126 12.310 7.959 -15.828 1.00 0.00 N ATOM 2149 CZ ARG A 126 13.264 8.848 -15.592 1.00 0.00 C ATOM 2150 NH1 ARG A 126 14.535 8.530 -15.686 1.00 0.00 N ATOM 2151 NH2 ARG A 126 12.938 10.070 -15.257 1.00 0.00 N ATOM 0 H ARG A 126 14.028 3.243 -13.481 1.00 0.00 H new ATOM 0 HA ARG A 126 12.990 3.635 -16.209 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.931 4.968 -14.267 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.935 5.477 -15.944 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.270 5.254 -14.523 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.292 6.628 -14.153 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.433 6.523 -16.960 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.775 6.050 -16.649 1.00 0.00 H new ATOM 0 HE ARG A 126 11.333 8.240 -15.745 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.806 7.581 -15.946 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.251 9.232 -15.500 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.955 10.333 -15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.666 10.760 -15.074 1.00 0.00 H new ATOM 2165 N ALA A 127 16.024 2.398 -15.825 1.00 0.00 N ATOM 2166 CA ALA A 127 17.126 1.759 -16.636 1.00 0.00 C ATOM 2167 C ALA A 127 16.548 0.664 -17.544 1.00 0.00 C ATOM 2168 O ALA A 127 16.936 0.543 -18.691 1.00 0.00 O ATOM 2169 CB ALA A 127 18.120 1.148 -15.635 1.00 0.00 C ATOM 0 H ALA A 127 16.145 2.357 -14.813 1.00 0.00 H new ATOM 0 HA ALA A 127 17.617 2.494 -17.274 1.00 0.00 H new ATOM 0 HB1 ALA A 127 18.937 0.673 -16.178 1.00 0.00 H new ATOM 0 HB2 ALA A 127 18.519 1.933 -14.993 1.00 0.00 H new ATOM 0 HB3 ALA A 127 17.610 0.404 -15.024 1.00 0.00 H new ATOM 2175 N GLN A 128 15.615 -0.124 -17.051 1.00 0.00 N ATOM 2176 CA GLN A 128 15.017 -1.196 -17.924 1.00 0.00 C ATOM 2177 C GLN A 128 14.149 -0.540 -19.007 1.00 0.00 C ATOM 2178 O GLN A 128 14.183 -0.940 -20.156 1.00 0.00 O ATOM 2179 CB GLN A 128 14.159 -2.088 -17.015 1.00 0.00 C ATOM 2180 CG GLN A 128 14.095 -3.501 -17.598 1.00 0.00 C ATOM 2181 CD GLN A 128 15.270 -4.330 -17.061 1.00 0.00 C ATOM 2182 OE1 GLN A 128 16.379 -4.204 -17.541 1.00 0.00 O ATOM 2183 NE2 GLN A 128 15.079 -5.177 -16.079 1.00 0.00 N ATOM 0 H GLN A 128 15.247 -0.075 -16.101 1.00 0.00 H new ATOM 0 HA GLN A 128 15.788 -1.788 -18.418 1.00 0.00 H new ATOM 0 HB2 GLN A 128 14.583 -2.116 -16.011 1.00 0.00 H new ATOM 0 HB3 GLN A 128 13.154 -1.674 -16.925 1.00 0.00 H new ATOM 0 HG2 GLN A 128 13.150 -3.974 -17.330 1.00 0.00 H new ATOM 0 HG3 GLN A 128 14.133 -3.459 -18.687 1.00 0.00 H new ATOM 0 HE21 GLN A 128 14.150 -5.286 -15.673 1.00 0.00 H new ATOM 0 HE22 GLN A 128 15.860 -5.727 -15.721 1.00 0.00 H new ATOM 2192 N LEU A 129 13.383 0.475 -18.657 1.00 0.00 N ATOM 2193 CA LEU A 129 12.533 1.155 -19.697 1.00 0.00 C ATOM 2194 C LEU A 129 13.438 1.849 -20.729 1.00 0.00 C ATOM 2195 O LEU A 129 13.151 1.836 -21.912 1.00 0.00 O ATOM 2196 CB LEU A 129 11.673 2.194 -18.959 1.00 0.00 C ATOM 2197 CG LEU A 129 10.433 1.511 -18.378 1.00 0.00 C ATOM 2198 CD1 LEU A 129 10.079 2.155 -17.037 1.00 0.00 C ATOM 2199 CD2 LEU A 129 9.258 1.673 -19.346 1.00 0.00 C ATOM 0 H LEU A 129 13.310 0.856 -17.714 1.00 0.00 H new ATOM 0 HA LEU A 129 11.904 0.439 -20.227 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.252 2.660 -18.161 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.376 2.988 -19.644 1.00 0.00 H new ATOM 0 HG LEU A 129 10.639 0.451 -18.231 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.196 1.669 -16.622 1.00 0.00 H new ATOM 0 HD12 LEU A 129 10.914 2.040 -16.346 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.874 3.215 -17.185 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.375 1.186 -18.931 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.052 2.733 -19.494 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.509 1.215 -20.303 1.00 0.00 H new ATOM 2211 N GLU A 130 14.534 2.450 -20.297 1.00 0.00 N ATOM 2212 CA GLU A 130 15.443 3.131 -21.288 1.00 0.00 C ATOM 2213 C GLU A 130 15.981 2.102 -22.295 1.00 0.00 C ATOM 2214 O GLU A 130 16.092 2.388 -23.473 1.00 0.00 O ATOM 2215 CB GLU A 130 16.604 3.739 -20.483 1.00 0.00 C ATOM 2216 CG GLU A 130 16.218 5.143 -20.012 1.00 0.00 C ATOM 2217 CD GLU A 130 17.483 5.974 -19.790 1.00 0.00 C ATOM 2218 OE1 GLU A 130 18.438 5.434 -19.255 1.00 0.00 O ATOM 2219 OE2 GLU A 130 17.478 7.136 -20.160 1.00 0.00 O ATOM 0 H GLU A 130 14.832 2.498 -19.323 1.00 0.00 H new ATOM 0 HA GLU A 130 14.910 3.901 -21.846 1.00 0.00 H new ATOM 0 HB2 GLU A 130 16.836 3.107 -19.626 1.00 0.00 H new ATOM 0 HB3 GLU A 130 17.503 3.784 -21.098 1.00 0.00 H new ATOM 0 HG2 GLU A 130 15.580 5.624 -20.753 1.00 0.00 H new ATOM 0 HG3 GLU A 130 15.643 5.083 -19.088 1.00 0.00 H new ATOM 2226 N GLU A 131 16.314 0.905 -21.849 1.00 0.00 N ATOM 2227 CA GLU A 131 16.842 -0.129 -22.815 1.00 0.00 C ATOM 2228 C GLU A 131 15.798 -0.416 -23.906 1.00 0.00 C ATOM 2229 O GLU A 131 16.141 -0.597 -25.060 1.00 0.00 O ATOM 2230 CB GLU A 131 17.116 -1.402 -21.999 1.00 0.00 C ATOM 2231 CG GLU A 131 18.167 -2.251 -22.716 1.00 0.00 C ATOM 2232 CD GLU A 131 18.421 -3.531 -21.916 1.00 0.00 C ATOM 2233 OE1 GLU A 131 17.570 -4.405 -21.951 1.00 0.00 O ATOM 2234 OE2 GLU A 131 19.461 -3.616 -21.285 1.00 0.00 O ATOM 0 H GLU A 131 16.246 0.602 -20.877 1.00 0.00 H new ATOM 0 HA GLU A 131 17.749 0.223 -23.306 1.00 0.00 H new ATOM 0 HB2 GLU A 131 17.465 -1.139 -21.001 1.00 0.00 H new ATOM 0 HB3 GLU A 131 16.195 -1.972 -21.875 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.826 -2.499 -23.721 1.00 0.00 H new ATOM 0 HG3 GLU A 131 19.094 -1.687 -22.824 1.00 0.00 H new ATOM 2241 N GLU A 132 14.527 -0.459 -23.558 1.00 0.00 N ATOM 2242 CA GLU A 132 13.477 -0.738 -24.603 1.00 0.00 C ATOM 2243 C GLU A 132 13.511 0.353 -25.683 1.00 0.00 C ATOM 2244 O GLU A 132 13.451 0.059 -26.862 1.00 0.00 O ATOM 2245 CB GLU A 132 12.118 -0.727 -23.884 1.00 0.00 C ATOM 2246 CG GLU A 132 11.816 -2.127 -23.344 1.00 0.00 C ATOM 2247 CD GLU A 132 12.486 -2.305 -21.981 1.00 0.00 C ATOM 2248 OE1 GLU A 132 11.886 -1.914 -20.993 1.00 0.00 O ATOM 2249 OE2 GLU A 132 13.587 -2.828 -21.948 1.00 0.00 O ATOM 0 H GLU A 132 14.175 -0.316 -22.612 1.00 0.00 H new ATOM 0 HA GLU A 132 13.653 -1.698 -25.089 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.132 -0.006 -23.067 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.333 -0.414 -24.572 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.739 -2.268 -23.253 1.00 0.00 H new ATOM 0 HG3 GLU A 132 12.179 -2.883 -24.041 1.00 0.00 H new ATOM 2256 N ALA A 133 13.610 1.611 -25.297 1.00 0.00 N ATOM 2257 CA ALA A 133 13.649 2.704 -26.336 1.00 0.00 C ATOM 2258 C ALA A 133 14.879 2.522 -27.238 1.00 0.00 C ATOM 2259 O ALA A 133 14.783 2.631 -28.446 1.00 0.00 O ATOM 2260 CB ALA A 133 13.738 4.037 -25.578 1.00 0.00 C ATOM 0 H ALA A 133 13.665 1.925 -24.328 1.00 0.00 H new ATOM 0 HA ALA A 133 12.762 2.678 -26.969 1.00 0.00 H new ATOM 0 HB1 ALA A 133 13.769 4.860 -26.292 1.00 0.00 H new ATOM 0 HB2 ALA A 133 12.866 4.148 -24.934 1.00 0.00 H new ATOM 0 HB3 ALA A 133 14.643 4.050 -24.970 1.00 0.00 H new ATOM 2266 N ARG A 134 16.033 2.237 -26.666 1.00 0.00 N ATOM 2267 CA ARG A 134 17.260 2.044 -27.522 1.00 0.00 C ATOM 2268 C ARG A 134 17.035 0.898 -28.528 1.00 0.00 C ATOM 2269 O ARG A 134 17.531 0.948 -29.640 1.00 0.00 O ATOM 2270 CB ARG A 134 18.414 1.687 -26.570 1.00 0.00 C ATOM 2271 CG ARG A 134 19.728 1.633 -27.356 1.00 0.00 C ATOM 2272 CD ARG A 134 20.038 0.184 -27.753 1.00 0.00 C ATOM 2273 NE ARG A 134 19.975 0.167 -29.247 1.00 0.00 N ATOM 2274 CZ ARG A 134 20.944 0.690 -29.982 1.00 0.00 C ATOM 2275 NH1 ARG A 134 21.999 1.246 -29.430 1.00 0.00 N ATOM 2276 NH2 ARG A 134 20.856 0.656 -31.287 1.00 0.00 N ATOM 0 H ARG A 134 16.179 2.131 -25.662 1.00 0.00 H new ATOM 0 HA ARG A 134 17.483 2.947 -28.091 1.00 0.00 H new ATOM 0 HB2 ARG A 134 18.485 2.428 -25.774 1.00 0.00 H new ATOM 0 HB3 ARG A 134 18.223 0.725 -26.094 1.00 0.00 H new ATOM 0 HG2 ARG A 134 19.655 2.256 -28.247 1.00 0.00 H new ATOM 0 HG3 ARG A 134 20.541 2.036 -26.751 1.00 0.00 H new ATOM 0 HD2 ARG A 134 21.022 -0.120 -27.397 1.00 0.00 H new ATOM 0 HD3 ARG A 134 19.314 -0.507 -27.320 1.00 0.00 H new ATOM 0 HE ARG A 134 19.170 -0.256 -29.709 1.00 0.00 H new ATOM 0 HH11 ARG A 134 22.084 1.281 -28.414 1.00 0.00 H new ATOM 0 HH12 ARG A 134 22.733 1.642 -30.017 1.00 0.00 H new ATOM 0 HH21 ARG A 134 20.044 0.228 -31.732 1.00 0.00 H new ATOM 0 HH22 ARG A 134 21.599 1.057 -31.859 1.00 0.00 H new ATOM 2290 N LYS A 135 16.296 -0.131 -28.158 1.00 0.00 N ATOM 2291 CA LYS A 135 16.060 -1.265 -29.122 1.00 0.00 C ATOM 2292 C LYS A 135 15.028 -0.869 -30.196 1.00 0.00 C ATOM 2293 O LYS A 135 15.107 -1.330 -31.319 1.00 0.00 O ATOM 2294 CB LYS A 135 15.531 -2.446 -28.292 1.00 0.00 C ATOM 2295 CG LYS A 135 16.710 -3.223 -27.701 1.00 0.00 C ATOM 2296 CD LYS A 135 16.221 -4.084 -26.535 1.00 0.00 C ATOM 2297 CE LYS A 135 17.291 -5.121 -26.182 1.00 0.00 C ATOM 2298 NZ LYS A 135 16.531 -6.355 -25.841 1.00 0.00 N ATOM 0 H LYS A 135 15.853 -0.234 -27.245 1.00 0.00 H new ATOM 0 HA LYS A 135 16.982 -1.525 -29.642 1.00 0.00 H new ATOM 0 HB2 LYS A 135 14.884 -2.082 -27.493 1.00 0.00 H new ATOM 0 HB3 LYS A 135 14.926 -3.102 -28.918 1.00 0.00 H new ATOM 0 HG2 LYS A 135 17.164 -3.852 -28.466 1.00 0.00 H new ATOM 0 HG3 LYS A 135 17.480 -2.532 -27.358 1.00 0.00 H new ATOM 0 HD2 LYS A 135 16.008 -3.456 -25.670 1.00 0.00 H new ATOM 0 HD3 LYS A 135 15.290 -4.583 -26.803 1.00 0.00 H new ATOM 0 HE2 LYS A 135 17.967 -5.292 -27.020 1.00 0.00 H new ATOM 0 HE3 LYS A 135 17.902 -4.789 -25.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 17.196 -7.113 -25.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 15.901 -6.163 -25.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 15.964 -6.651 -26.661 1.00 0.00 H new ATOM 2312 N LYS A 136 14.062 -0.027 -29.874 1.00 0.00 N ATOM 2313 CA LYS A 136 13.047 0.367 -30.912 1.00 0.00 C ATOM 2314 C LYS A 136 13.377 1.738 -31.541 1.00 0.00 C ATOM 2315 O LYS A 136 12.499 2.398 -32.064 1.00 0.00 O ATOM 2316 CB LYS A 136 11.703 0.430 -30.176 1.00 0.00 C ATOM 2317 CG LYS A 136 10.592 -0.087 -31.092 1.00 0.00 C ATOM 2318 CD LYS A 136 10.605 -1.618 -31.095 1.00 0.00 C ATOM 2319 CE LYS A 136 10.072 -2.136 -29.758 1.00 0.00 C ATOM 2320 NZ LYS A 136 8.629 -2.416 -30.002 1.00 0.00 N ATOM 0 H LYS A 136 13.936 0.396 -28.955 1.00 0.00 H new ATOM 0 HA LYS A 136 13.034 -0.351 -31.732 1.00 0.00 H new ATOM 0 HB2 LYS A 136 11.747 -0.169 -29.266 1.00 0.00 H new ATOM 0 HB3 LYS A 136 11.491 1.455 -29.873 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.624 0.279 -30.749 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.735 0.291 -32.104 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.992 -1.996 -31.914 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.619 -1.983 -31.261 1.00 0.00 H new ATOM 0 HE2 LYS A 136 10.601 -3.036 -29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.203 -1.397 -28.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.193 -2.776 -29.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.150 -1.540 -30.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.536 -3.128 -30.754 1.00 0.00 H new ATOM 2334 N GLY A 137 14.626 2.174 -31.518 1.00 0.00 N ATOM 2335 CA GLY A 137 14.983 3.494 -32.135 1.00 0.00 C ATOM 2336 C GLY A 137 14.061 4.608 -31.609 1.00 0.00 C ATOM 2337 O GLY A 137 13.551 5.403 -32.377 1.00 0.00 O ATOM 0 H GLY A 137 15.407 1.670 -31.098 1.00 0.00 H new ATOM 0 HA2 GLY A 137 16.021 3.738 -31.909 1.00 0.00 H new ATOM 0 HA3 GLY A 137 14.900 3.428 -33.220 1.00 0.00 H new ATOM 2341 N THR A 138 13.842 4.679 -30.311 1.00 0.00 N ATOM 2342 CA THR A 138 12.954 5.751 -29.763 1.00 0.00 C ATOM 2343 C THR A 138 13.429 6.176 -28.362 1.00 0.00 C ATOM 2344 O THR A 138 14.537 5.869 -27.964 1.00 0.00 O ATOM 2345 CB THR A 138 11.555 5.121 -29.701 1.00 0.00 C ATOM 2346 OG1 THR A 138 10.635 6.073 -29.187 1.00 0.00 O ATOM 2347 CG2 THR A 138 11.572 3.888 -28.794 1.00 0.00 C ATOM 0 H THR A 138 14.238 4.045 -29.617 1.00 0.00 H new ATOM 0 HA THR A 138 12.963 6.649 -30.380 1.00 0.00 H new ATOM 0 HB THR A 138 11.254 4.819 -30.704 1.00 0.00 H new ATOM 0 HG1 THR A 138 9.740 5.675 -29.148 1.00 0.00 H new ATOM 0 HG21 THR A 138 10.575 3.449 -28.757 1.00 0.00 H new ATOM 0 HG22 THR A 138 12.276 3.156 -29.189 1.00 0.00 H new ATOM 0 HG23 THR A 138 11.877 4.180 -27.789 1.00 0.00 H new ATOM 2355 N GLN A 139 12.604 6.880 -27.612 1.00 0.00 N ATOM 2356 CA GLN A 139 13.023 7.316 -26.245 1.00 0.00 C ATOM 2357 C GLN A 139 11.880 7.096 -25.242 1.00 0.00 C ATOM 2358 O GLN A 139 10.719 7.148 -25.603 1.00 0.00 O ATOM 2359 CB GLN A 139 13.337 8.807 -26.382 1.00 0.00 C ATOM 2360 CG GLN A 139 14.517 9.000 -27.340 1.00 0.00 C ATOM 2361 CD GLN A 139 13.995 9.364 -28.736 1.00 0.00 C ATOM 2362 OE1 GLN A 139 12.900 8.984 -29.101 1.00 0.00 O ATOM 2363 NE2 GLN A 139 14.733 10.090 -29.541 1.00 0.00 N ATOM 0 H GLN A 139 11.666 7.167 -27.890 1.00 0.00 H new ATOM 0 HA GLN A 139 13.880 6.751 -25.877 1.00 0.00 H new ATOM 0 HB2 GLN A 139 12.462 9.340 -26.755 1.00 0.00 H new ATOM 0 HB3 GLN A 139 13.576 9.230 -25.406 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.173 9.788 -26.970 1.00 0.00 H new ATOM 0 HG3 GLN A 139 15.111 8.087 -27.390 1.00 0.00 H new ATOM 0 HE21 GLN A 139 15.653 10.411 -29.239 1.00 0.00 H new ATOM 0 HE22 GLN A 139 14.387 10.333 -30.469 1.00 0.00 H new ATOM 2372 N VAL A 140 12.194 6.855 -23.985 1.00 0.00 N ATOM 2373 CA VAL A 140 11.118 6.639 -22.971 1.00 0.00 C ATOM 2374 C VAL A 140 11.375 7.517 -21.735 1.00 0.00 C ATOM 2375 O VAL A 140 12.480 7.979 -21.521 1.00 0.00 O ATOM 2376 CB VAL A 140 11.194 5.149 -22.610 1.00 0.00 C ATOM 2377 CG1 VAL A 140 12.581 4.811 -22.044 1.00 0.00 C ATOM 2378 CG2 VAL A 140 10.119 4.826 -21.566 1.00 0.00 C ATOM 0 H VAL A 140 13.147 6.800 -23.624 1.00 0.00 H new ATOM 0 HA VAL A 140 10.132 6.908 -23.350 1.00 0.00 H new ATOM 0 HB VAL A 140 11.026 4.554 -23.508 1.00 0.00 H new ATOM 0 HG11 VAL A 140 12.623 3.751 -21.792 1.00 0.00 H new ATOM 0 HG12 VAL A 140 13.343 5.037 -22.790 1.00 0.00 H new ATOM 0 HG13 VAL A 140 12.763 5.405 -21.148 1.00 0.00 H new ATOM 0 HG21 VAL A 140 10.170 3.768 -21.307 1.00 0.00 H new ATOM 0 HG22 VAL A 140 10.287 5.427 -20.672 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.135 5.053 -21.975 1.00 0.00 H new ATOM 2388 N SER A 141 10.367 7.755 -20.919 1.00 0.00 N ATOM 2389 CA SER A 141 10.578 8.607 -19.704 1.00 0.00 C ATOM 2390 C SER A 141 9.378 8.516 -18.744 1.00 0.00 C ATOM 2391 O SER A 141 8.523 9.382 -18.733 1.00 0.00 O ATOM 2392 CB SER A 141 10.720 10.024 -20.251 1.00 0.00 C ATOM 2393 OG SER A 141 10.812 10.942 -19.169 1.00 0.00 O ATOM 0 H SER A 141 9.419 7.399 -21.043 1.00 0.00 H new ATOM 0 HA SER A 141 11.449 8.290 -19.130 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.608 10.096 -20.879 1.00 0.00 H new ATOM 0 HB3 SER A 141 9.864 10.270 -20.879 1.00 0.00 H new ATOM 0 HG SER A 141 10.905 11.852 -19.519 1.00 0.00 H new ATOM 2399 N PHE A 142 9.310 7.479 -17.933 1.00 0.00 N ATOM 2400 CA PHE A 142 8.162 7.350 -16.976 1.00 0.00 C ATOM 2401 C PHE A 142 8.543 7.952 -15.606 1.00 0.00 C ATOM 2402 O PHE A 142 9.706 8.119 -15.293 1.00 0.00 O ATOM 2403 CB PHE A 142 7.888 5.833 -16.866 1.00 0.00 C ATOM 2404 CG PHE A 142 7.006 5.528 -15.667 1.00 0.00 C ATOM 2405 CD1 PHE A 142 5.618 5.714 -15.729 1.00 0.00 C ATOM 2406 CD2 PHE A 142 7.594 5.069 -14.486 1.00 0.00 C ATOM 2407 CE1 PHE A 142 4.826 5.432 -14.604 1.00 0.00 C ATOM 2408 CE2 PHE A 142 6.807 4.794 -13.374 1.00 0.00 C ATOM 2409 CZ PHE A 142 5.425 4.972 -13.424 1.00 0.00 C ATOM 0 H PHE A 142 9.995 6.724 -17.894 1.00 0.00 H new ATOM 0 HA PHE A 142 7.276 7.887 -17.316 1.00 0.00 H new ATOM 0 HB2 PHE A 142 7.405 5.479 -17.777 1.00 0.00 H new ATOM 0 HB3 PHE A 142 8.831 5.294 -16.775 1.00 0.00 H new ATOM 0 HD1 PHE A 142 5.159 6.073 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE A 142 8.664 4.927 -14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.756 5.570 -14.648 1.00 0.00 H new ATOM 0 HE2 PHE A 142 7.269 4.440 -12.464 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.819 4.756 -12.557 1.00 0.00 H new ATOM 2419 N HIS A 143 7.559 8.259 -14.790 1.00 0.00 N ATOM 2420 CA HIS A 143 7.838 8.827 -13.436 1.00 0.00 C ATOM 2421 C HIS A 143 6.876 8.198 -12.417 1.00 0.00 C ATOM 2422 O HIS A 143 7.292 7.539 -11.484 1.00 0.00 O ATOM 2423 CB HIS A 143 7.580 10.328 -13.570 1.00 0.00 C ATOM 2424 CG HIS A 143 8.860 11.028 -13.936 1.00 0.00 C ATOM 2425 ND1 HIS A 143 9.042 11.641 -15.166 1.00 0.00 N ATOM 2426 CD2 HIS A 143 10.030 11.220 -13.245 1.00 0.00 C ATOM 2427 CE1 HIS A 143 10.281 12.168 -15.176 1.00 0.00 C ATOM 2428 NE2 HIS A 143 10.926 11.940 -14.029 1.00 0.00 N ATOM 0 H HIS A 143 6.570 8.138 -15.009 1.00 0.00 H new ATOM 0 HA HIS A 143 8.854 8.628 -13.094 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.823 10.511 -14.332 1.00 0.00 H new ATOM 0 HB3 HIS A 143 7.191 10.726 -12.633 1.00 0.00 H new ATOM 0 HD2 HIS A 143 10.226 10.866 -12.244 1.00 0.00 H new ATOM 0 HE1 HIS A 143 10.702 12.709 -16.010 1.00 0.00 H new ATOM 0 HE2 HIS A 143 11.872 12.231 -13.781 1.00 0.00 H new ATOM 2436 N GLN A 144 5.588 8.381 -12.607 1.00 0.00 N ATOM 2437 CA GLN A 144 4.588 7.782 -11.673 1.00 0.00 C ATOM 2438 C GLN A 144 3.483 7.095 -12.489 1.00 0.00 C ATOM 2439 O GLN A 144 3.211 7.484 -13.611 1.00 0.00 O ATOM 2440 CB GLN A 144 4.018 8.960 -10.869 1.00 0.00 C ATOM 2441 CG GLN A 144 3.429 10.015 -11.813 1.00 0.00 C ATOM 2442 CD GLN A 144 4.469 11.114 -12.068 1.00 0.00 C ATOM 2443 OE1 GLN A 144 4.923 11.283 -13.183 1.00 0.00 O ATOM 2444 NE2 GLN A 144 4.871 11.876 -11.080 1.00 0.00 N ATOM 0 H GLN A 144 5.189 8.923 -13.374 1.00 0.00 H new ATOM 0 HA GLN A 144 5.026 7.032 -11.014 1.00 0.00 H new ATOM 0 HB2 GLN A 144 3.247 8.603 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 144 4.803 9.406 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.136 9.552 -12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 144 2.528 10.447 -11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 144 4.493 11.738 -10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 144 5.562 12.607 -11.248 1.00 0.00 H new ATOM 2453 N CYS A 145 2.844 6.078 -11.947 1.00 0.00 N ATOM 2454 CA CYS A 145 1.761 5.388 -12.729 1.00 0.00 C ATOM 2455 C CYS A 145 0.374 5.924 -12.332 1.00 0.00 C ATOM 2456 O CYS A 145 0.196 6.457 -11.253 1.00 0.00 O ATOM 2457 CB CYS A 145 1.895 3.877 -12.445 1.00 0.00 C ATOM 2458 SG CYS A 145 1.496 3.479 -10.713 1.00 0.00 S ATOM 0 H CYS A 145 3.021 5.702 -11.015 1.00 0.00 H new ATOM 0 HA CYS A 145 1.865 5.579 -13.797 1.00 0.00 H new ATOM 0 HB2 CYS A 145 1.231 3.322 -13.108 1.00 0.00 H new ATOM 0 HB3 CYS A 145 2.912 3.554 -12.668 1.00 0.00 H new ATOM 2463 N VAL A 146 -0.608 5.796 -13.204 1.00 0.00 N ATOM 2464 CA VAL A 146 -1.982 6.318 -12.867 1.00 0.00 C ATOM 2465 C VAL A 146 -2.725 5.388 -11.886 1.00 0.00 C ATOM 2466 O VAL A 146 -3.614 5.832 -11.184 1.00 0.00 O ATOM 2467 CB VAL A 146 -2.760 6.435 -14.196 1.00 0.00 C ATOM 2468 CG1 VAL A 146 -1.986 7.339 -15.158 1.00 0.00 C ATOM 2469 CG2 VAL A 146 -2.942 5.053 -14.840 1.00 0.00 C ATOM 0 H VAL A 146 -0.521 5.359 -14.122 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.900 7.285 -12.371 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.742 6.860 -13.989 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -2.533 7.424 -16.097 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -1.871 8.328 -14.715 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -1.002 6.910 -15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -3.492 5.157 -15.775 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -1.965 4.614 -15.041 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -3.498 4.406 -14.162 1.00 0.00 H new ATOM 2479 N HIS A 147 -2.390 4.104 -11.826 1.00 0.00 N ATOM 2480 CA HIS A 147 -3.116 3.178 -10.871 1.00 0.00 C ATOM 2481 C HIS A 147 -3.161 3.792 -9.455 1.00 0.00 C ATOM 2482 O HIS A 147 -4.219 3.925 -8.870 1.00 0.00 O ATOM 2483 CB HIS A 147 -2.326 1.854 -10.845 1.00 0.00 C ATOM 2484 CG HIS A 147 -2.341 1.183 -12.206 1.00 0.00 C ATOM 2485 ND1 HIS A 147 -3.159 1.601 -13.256 1.00 0.00 N ATOM 2486 CD2 HIS A 147 -1.631 0.111 -12.700 1.00 0.00 C ATOM 2487 CE1 HIS A 147 -2.919 0.791 -14.304 1.00 0.00 C ATOM 2488 NE2 HIS A 147 -1.998 -0.132 -14.019 1.00 0.00 N ATOM 0 H HIS A 147 -1.659 3.665 -12.386 1.00 0.00 H new ATOM 0 HA HIS A 147 -4.144 3.018 -11.196 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.297 2.047 -10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -2.757 1.184 -10.101 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -0.898 -0.456 -12.145 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -3.413 0.878 -15.261 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -1.640 -0.860 -14.637 1.00 0.00 H new ATOM 2496 N CYS A 148 -2.024 4.168 -8.907 1.00 0.00 N ATOM 2497 CA CYS A 148 -2.010 4.770 -7.543 1.00 0.00 C ATOM 2498 C CYS A 148 -1.120 6.032 -7.521 1.00 0.00 C ATOM 2499 O CYS A 148 -0.779 6.571 -8.558 1.00 0.00 O ATOM 2500 CB CYS A 148 -1.429 3.657 -6.660 1.00 0.00 C ATOM 2501 SG CYS A 148 0.318 3.353 -7.073 1.00 0.00 S ATOM 0 H CYS A 148 -1.110 4.081 -9.351 1.00 0.00 H new ATOM 0 HA CYS A 148 -2.994 5.094 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -1.516 3.936 -5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -2.004 2.741 -6.795 1.00 0.00 H new ATOM 2506 N GLY A 149 -0.721 6.490 -6.351 1.00 0.00 N ATOM 2507 CA GLY A 149 0.166 7.686 -6.275 1.00 0.00 C ATOM 2508 C GLY A 149 1.606 7.202 -6.053 1.00 0.00 C ATOM 2509 O GLY A 149 2.204 7.470 -5.029 1.00 0.00 O ATOM 0 H GLY A 149 -0.975 6.082 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 149 0.098 8.269 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.145 8.339 -5.460 1.00 0.00 H new ATOM 2513 N CYS A 150 2.162 6.472 -7.000 1.00 0.00 N ATOM 2514 CA CYS A 150 3.558 5.955 -6.833 1.00 0.00 C ATOM 2515 C CYS A 150 4.530 6.773 -7.697 1.00 0.00 C ATOM 2516 O CYS A 150 4.190 7.188 -8.785 1.00 0.00 O ATOM 2517 CB CYS A 150 3.483 4.492 -7.306 1.00 0.00 C ATOM 2518 SG CYS A 150 5.120 3.714 -7.323 1.00 0.00 S ATOM 0 H CYS A 150 1.708 6.215 -7.876 1.00 0.00 H new ATOM 0 HA CYS A 150 3.921 6.031 -5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 150 2.819 3.930 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 150 3.050 4.454 -8.306 1.00 0.00 H new ATOM 2523 N ARG A 151 5.741 6.993 -7.226 1.00 0.00 N ATOM 2524 CA ARG A 151 6.727 7.772 -8.042 1.00 0.00 C ATOM 2525 C ARG A 151 7.715 6.806 -8.712 1.00 0.00 C ATOM 2526 O ARG A 151 8.910 7.038 -8.713 1.00 0.00 O ATOM 2527 CB ARG A 151 7.456 8.691 -7.055 1.00 0.00 C ATOM 2528 CG ARG A 151 6.535 9.846 -6.658 1.00 0.00 C ATOM 2529 CD ARG A 151 7.045 10.483 -5.362 1.00 0.00 C ATOM 2530 NE ARG A 151 6.815 11.950 -5.538 1.00 0.00 N ATOM 2531 CZ ARG A 151 5.596 12.466 -5.491 1.00 0.00 C ATOM 2532 NH1 ARG A 151 4.540 11.710 -5.286 1.00 0.00 N ATOM 2533 NH2 ARG A 151 5.432 13.754 -5.649 1.00 0.00 N ATOM 0 H ARG A 151 6.083 6.669 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 151 6.244 8.348 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.754 8.129 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 151 8.368 9.079 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 151 6.504 10.590 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 151 5.517 9.483 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 151 6.507 10.100 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 151 8.101 10.265 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 151 7.613 12.565 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 151 4.650 10.704 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 151 3.611 12.130 -5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 151 6.240 14.355 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 151 4.496 14.157 -5.614 1.00 0.00 H new ATOM 2547 N GLY A 152 7.226 5.721 -9.280 1.00 0.00 N ATOM 2548 CA GLY A 152 8.136 4.747 -9.941 1.00 0.00 C ATOM 2549 C GLY A 152 8.850 3.904 -8.877 1.00 0.00 C ATOM 2550 O GLY A 152 9.862 4.313 -8.336 1.00 0.00 O ATOM 0 H GLY A 152 6.236 5.477 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 152 7.568 4.101 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 152 8.868 5.275 -10.552 1.00 0.00 H new ATOM 2554 N CYS A 153 8.341 2.726 -8.569 1.00 0.00 N ATOM 2555 CA CYS A 153 9.008 1.870 -7.539 1.00 0.00 C ATOM 2556 C CYS A 153 9.676 0.649 -8.204 1.00 0.00 C ATOM 2557 O CYS A 153 9.047 -0.086 -8.942 1.00 0.00 O ATOM 2558 CB CYS A 153 7.899 1.459 -6.546 1.00 0.00 C ATOM 2559 SG CYS A 153 6.684 0.345 -7.312 1.00 0.00 S ATOM 0 H CYS A 153 7.499 2.328 -8.986 1.00 0.00 H new ATOM 0 HA CYS A 153 9.806 2.400 -7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 153 8.348 0.968 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 153 7.392 2.351 -6.178 1.00 0.00 H new ATOM 2564 N ALA A 154 10.953 0.437 -7.957 1.00 0.00 N ATOM 2565 CA ALA A 154 11.659 -0.725 -8.581 1.00 0.00 C ATOM 2566 C ALA A 154 12.768 -1.237 -7.649 1.00 0.00 C ATOM 2567 O ALA A 154 13.335 -0.478 -6.884 1.00 0.00 O ATOM 2568 CB ALA A 154 12.257 -0.172 -9.873 1.00 0.00 C ATOM 0 H ALA A 154 11.531 1.019 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 154 10.990 -1.565 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 154 12.794 -0.965 -10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 154 11.458 0.205 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 154 12.946 0.639 -9.637 1.00 0.00 H new ATOM 2574 N SER A 155 13.081 -2.515 -7.701 1.00 0.00 N ATOM 2575 CA SER A 155 14.152 -3.057 -6.806 1.00 0.00 C ATOM 2576 C SER A 155 15.391 -3.459 -7.624 1.00 0.00 C ATOM 2577 O SER A 155 16.495 -3.051 -7.314 1.00 0.00 O ATOM 2578 CB SER A 155 13.534 -4.282 -6.128 1.00 0.00 C ATOM 2579 OG SER A 155 12.136 -4.070 -5.957 1.00 0.00 O ATOM 0 H SER A 155 12.644 -3.198 -8.320 1.00 0.00 H new ATOM 0 HA SER A 155 14.484 -2.316 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 155 13.707 -5.172 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 155 14.008 -4.455 -5.162 1.00 0.00 H new ATOM 0 HG SER A 155 11.710 -4.906 -5.674 1.00 0.00 H new ATOM 2585 N THR A 156 15.229 -4.261 -8.662 1.00 0.00 N ATOM 2586 CA THR A 156 16.429 -4.681 -9.482 1.00 0.00 C ATOM 2587 C THR A 156 17.233 -3.452 -9.939 1.00 0.00 C ATOM 2588 O THR A 156 18.451 -3.472 -9.941 1.00 0.00 O ATOM 2589 CB THR A 156 15.884 -5.432 -10.708 1.00 0.00 C ATOM 2590 OG1 THR A 156 14.928 -6.395 -10.285 1.00 0.00 O ATOM 2591 CG2 THR A 156 17.034 -6.136 -11.430 1.00 0.00 C ATOM 0 H THR A 156 14.334 -4.638 -8.974 1.00 0.00 H new ATOM 0 HA THR A 156 17.096 -5.309 -8.892 1.00 0.00 H new ATOM 0 HB THR A 156 15.411 -4.723 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 156 14.578 -6.873 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 156 16.647 -6.668 -12.299 1.00 0.00 H new ATOM 0 HG22 THR A 156 17.767 -5.397 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 156 17.509 -6.845 -10.752 1.00 0.00 H new ATOM 2599 N ASP A 157 16.567 -2.385 -10.321 1.00 0.00 N ATOM 2600 CA ASP A 157 17.304 -1.163 -10.771 1.00 0.00 C ATOM 2601 C ASP A 157 16.496 0.099 -10.451 1.00 0.00 C ATOM 2602 O ASP A 157 16.869 1.156 -10.932 1.00 0.00 O ATOM 2603 CB ASP A 157 17.463 -1.330 -12.283 1.00 0.00 C ATOM 2604 CG ASP A 157 18.773 -2.064 -12.580 1.00 0.00 C ATOM 2605 OD1 ASP A 157 19.817 -1.448 -12.454 1.00 0.00 O ATOM 2606 OD2 ASP A 157 18.708 -3.231 -12.931 1.00 0.00 O ATOM 2607 OXT ASP A 157 15.519 -0.015 -9.729 1.00 0.00 O ATOM 0 H ASP A 157 15.550 -2.310 -10.340 1.00 0.00 H new ATOM 0 HA ASP A 157 18.265 -1.056 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 157 16.620 -1.890 -12.689 1.00 0.00 H new ATOM 0 HB3 ASP A 157 17.462 -0.355 -12.770 1.00 0.00 H new TER 2612 ASP A 157 HETATM 2613 ZN ZN A1000 0.883 1.135 -6.925 1.00 0.00 ZN HETATM 2614 ZN ZN A1001 4.733 1.483 -7.764 1.00 0.00 ZN HETATM 2615 ZN ZN A1002 1.989 1.233 -10.485 1.00 0.00 ZN