USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 723 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 NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot 165:sc= -0.0447 USER MOD Set 1.2: A 82 GLN : amide:sc= -6.94! C(o=-7!,f=-5.1!) USER MOD Set 2.1: A 17 THR OG1 : rot 70:sc= 0.386 USER MOD Set 2.2: A 94 GLN : amide:sc= 0.445 X(o=0.83,f=0.63) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0288 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -59:sc= 0.311 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0806) USER MOD Single : A 27 GLN : amide:sc= -1.67! C(o=-1.7!,f=-3.6!) USER MOD Single : A 30 ASN : amide:sc= -0.754 K(o=-0.75,f=-0.073) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -55:sc= 0.239 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 88:sc= -0.349 USER MOD Single : A 54 ASN : amide:sc= -3.11 K(o=-3.1,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 152:sc= -0.898 (180deg=-0.981) USER MOD Single : A 64 LYS NZ :NH3+ 130:sc= 0.00247 (180deg=-0.142) USER MOD Single : A 68 MET CE :methyl -153:sc= 0 (180deg=-0.0166) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0193) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -12.6! C(o=-13!,f=-9.9!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -144:sc= 0.565 (180deg=-2.84!) USER MOD Single : A 89 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.81) USER MOD Single : A 90 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 91 GLN : amide:sc= -0.418 K(o=-0.42,f=-0.95) USER MOD Single : A 93 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.849 10.804 -0.530 1.00 0.00 N ATOM 2 CA GLY A 1 -46.547 10.184 -0.686 1.00 0.00 C ATOM 3 C GLY A 1 -45.709 10.855 -1.756 1.00 0.00 C ATOM 4 O GLY A 1 -46.242 11.373 -2.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.580 10.066 -0.469 1.00 0.00 H new ATOM 0 H2 GLY A 1 -47.860 11.375 0.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -48.042 11.416 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.014 10.221 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.677 9.132 -0.938 1.00 0.00 H new ATOM 8 N SER A 2 -44.394 10.848 -1.567 1.00 0.00 N ATOM 9 CA SER A 2 -43.481 11.466 -2.522 1.00 0.00 C ATOM 10 C SER A 2 -42.311 10.537 -2.835 1.00 0.00 C ATOM 11 O SER A 2 -41.839 9.802 -1.968 1.00 0.00 O ATOM 12 CB SER A 2 -42.958 12.795 -1.973 1.00 0.00 C ATOM 13 OG SER A 2 -42.463 13.618 -3.015 1.00 0.00 O ATOM 0 H SER A 2 -43.936 10.421 -0.761 1.00 0.00 H new ATOM 0 HA SER A 2 -44.031 11.653 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.758 13.314 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.167 12.606 -1.247 1.00 0.00 H new ATOM 0 HG SER A 2 -42.136 14.462 -2.638 1.00 0.00 H new ATOM 19 N SER A 3 -41.849 10.577 -4.080 1.00 0.00 N ATOM 20 CA SER A 3 -40.737 9.737 -4.510 1.00 0.00 C ATOM 21 C SER A 3 -39.603 10.586 -5.077 1.00 0.00 C ATOM 22 O SER A 3 -39.818 11.712 -5.523 1.00 0.00 O ATOM 23 CB SER A 3 -41.209 8.729 -5.560 1.00 0.00 C ATOM 24 OG SER A 3 -42.073 7.764 -4.987 1.00 0.00 O ATOM 0 H SER A 3 -42.227 11.182 -4.809 1.00 0.00 H new ATOM 0 HA SER A 3 -40.363 9.197 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 3 -41.726 9.252 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.347 8.232 -6.005 1.00 0.00 H new ATOM 0 HG SER A 3 -42.362 7.132 -5.678 1.00 0.00 H new ATOM 30 N GLY A 4 -38.392 10.035 -5.055 1.00 0.00 N ATOM 31 CA GLY A 4 -37.241 10.754 -5.569 1.00 0.00 C ATOM 32 C GLY A 4 -36.114 9.827 -5.978 1.00 0.00 C ATOM 33 O GLY A 4 -35.611 9.053 -5.163 1.00 0.00 O ATOM 0 H GLY A 4 -38.188 9.104 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.544 11.353 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.880 11.447 -4.809 1.00 0.00 H new ATOM 37 N SER A 5 -35.718 9.902 -7.245 1.00 0.00 N ATOM 38 CA SER A 5 -34.647 9.059 -7.762 1.00 0.00 C ATOM 39 C SER A 5 -33.301 9.771 -7.668 1.00 0.00 C ATOM 40 O SER A 5 -32.383 9.301 -6.995 1.00 0.00 O ATOM 41 CB SER A 5 -34.931 8.672 -9.215 1.00 0.00 C ATOM 42 OG SER A 5 -35.861 7.605 -9.286 1.00 0.00 O ATOM 0 H SER A 5 -36.123 10.538 -7.932 1.00 0.00 H new ATOM 0 HA SER A 5 -34.604 8.156 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.321 9.535 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.002 8.382 -9.706 1.00 0.00 H new ATOM 0 HG SER A 5 -36.027 7.378 -10.225 1.00 0.00 H new ATOM 48 N SER A 6 -33.191 10.909 -8.347 1.00 0.00 N ATOM 49 CA SER A 6 -31.957 11.685 -8.343 1.00 0.00 C ATOM 50 C SER A 6 -30.753 10.793 -8.631 1.00 0.00 C ATOM 51 O SER A 6 -29.712 10.910 -7.987 1.00 0.00 O ATOM 52 CB SER A 6 -31.775 12.387 -6.996 1.00 0.00 C ATOM 53 OG SER A 6 -30.719 13.330 -7.052 1.00 0.00 O ATOM 0 H SER A 6 -33.942 11.313 -8.907 1.00 0.00 H new ATOM 0 HA SER A 6 -32.027 12.436 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.701 12.889 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.566 11.648 -6.222 1.00 0.00 H new ATOM 0 HG SER A 6 -29.886 12.874 -7.292 1.00 0.00 H new ATOM 59 N GLY A 7 -30.905 9.900 -9.605 1.00 0.00 N ATOM 60 CA GLY A 7 -29.824 9.001 -9.962 1.00 0.00 C ATOM 61 C GLY A 7 -28.509 9.726 -10.164 1.00 0.00 C ATOM 62 O GLY A 7 -28.479 10.951 -10.281 1.00 0.00 O ATOM 0 H GLY A 7 -31.758 9.784 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.706 8.252 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.086 8.468 -10.876 1.00 0.00 H new ATOM 66 N SER A 8 -27.417 8.969 -10.202 1.00 0.00 N ATOM 67 CA SER A 8 -26.091 9.549 -10.384 1.00 0.00 C ATOM 68 C SER A 8 -25.602 9.345 -11.815 1.00 0.00 C ATOM 69 O SER A 8 -25.670 8.241 -12.357 1.00 0.00 O ATOM 70 CB SER A 8 -25.099 8.925 -9.400 1.00 0.00 C ATOM 71 OG SER A 8 -25.473 9.194 -8.060 1.00 0.00 O ATOM 0 H SER A 8 -27.424 7.953 -10.109 1.00 0.00 H new ATOM 0 HA SER A 8 -26.159 10.619 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.053 7.848 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.100 9.318 -9.588 1.00 0.00 H new ATOM 0 HG SER A 8 -24.825 8.783 -7.451 1.00 0.00 H new ATOM 77 N THR A 9 -25.107 10.419 -12.423 1.00 0.00 N ATOM 78 CA THR A 9 -24.607 10.360 -13.791 1.00 0.00 C ATOM 79 C THR A 9 -23.117 10.680 -13.845 1.00 0.00 C ATOM 80 O THR A 9 -22.624 11.518 -13.091 1.00 0.00 O ATOM 81 CB THR A 9 -25.364 11.339 -14.708 1.00 0.00 C ATOM 82 OG1 THR A 9 -25.237 12.675 -14.210 1.00 0.00 O ATOM 83 CG2 THR A 9 -26.836 10.965 -14.801 1.00 0.00 C ATOM 0 H THR A 9 -25.042 11.340 -11.989 1.00 0.00 H new ATOM 0 HA THR A 9 -24.771 9.342 -14.145 1.00 0.00 H new ATOM 0 HB THR A 9 -24.927 11.280 -15.705 1.00 0.00 H new ATOM 0 HG1 THR A 9 -25.720 13.291 -14.800 1.00 0.00 H new ATOM 0 HG21 THR A 9 -27.350 11.670 -15.454 1.00 0.00 H new ATOM 0 HG22 THR A 9 -26.931 9.958 -15.208 1.00 0.00 H new ATOM 0 HG23 THR A 9 -27.283 10.998 -13.808 1.00 0.00 H new ATOM 91 N ALA A 10 -22.405 10.007 -14.743 1.00 0.00 N ATOM 92 CA ALA A 10 -20.972 10.221 -14.898 1.00 0.00 C ATOM 93 C ALA A 10 -20.664 10.956 -16.198 1.00 0.00 C ATOM 94 O ALA A 10 -20.449 10.335 -17.240 1.00 0.00 O ATOM 95 CB ALA A 10 -20.231 8.893 -14.853 1.00 0.00 C ATOM 0 H ALA A 10 -22.798 9.309 -15.374 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.632 10.843 -14.070 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.162 9.069 -14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.416 8.405 -13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.584 8.252 -15.661 1.00 0.00 H new ATOM 101 N THR A 11 -20.645 12.284 -16.132 1.00 0.00 N ATOM 102 CA THR A 11 -20.365 13.104 -17.304 1.00 0.00 C ATOM 103 C THR A 11 -19.143 13.987 -17.078 1.00 0.00 C ATOM 104 O THR A 11 -18.266 14.079 -17.937 1.00 0.00 O ATOM 105 CB THR A 11 -21.568 13.995 -17.666 1.00 0.00 C ATOM 106 OG1 THR A 11 -22.043 14.676 -16.499 1.00 0.00 O ATOM 107 CG2 THR A 11 -22.693 13.166 -18.268 1.00 0.00 C ATOM 0 H THR A 11 -20.820 12.814 -15.279 1.00 0.00 H new ATOM 0 HA THR A 11 -20.168 12.420 -18.129 1.00 0.00 H new ATOM 0 HB THR A 11 -21.241 14.727 -18.405 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.807 15.242 -16.738 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.532 13.816 -18.516 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.337 12.672 -19.172 1.00 0.00 H new ATOM 0 HG23 THR A 11 -23.017 12.415 -17.548 1.00 0.00 H new ATOM 115 N GLN A 12 -19.092 14.634 -15.918 1.00 0.00 N ATOM 116 CA GLN A 12 -17.976 15.510 -15.581 1.00 0.00 C ATOM 117 C GLN A 12 -17.023 14.826 -14.606 1.00 0.00 C ATOM 118 O GLN A 12 -16.547 15.442 -13.652 1.00 0.00 O ATOM 119 CB GLN A 12 -18.491 16.817 -14.978 1.00 0.00 C ATOM 120 CG GLN A 12 -17.429 17.900 -14.874 1.00 0.00 C ATOM 121 CD GLN A 12 -17.307 18.721 -16.142 1.00 0.00 C ATOM 122 OE1 GLN A 12 -17.893 19.798 -16.257 1.00 0.00 O ATOM 123 NE2 GLN A 12 -16.543 18.217 -17.104 1.00 0.00 N ATOM 0 H GLN A 12 -19.810 14.568 -15.196 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.430 15.732 -16.498 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.317 17.187 -15.586 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -18.891 16.616 -13.984 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.669 18.560 -14.040 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.467 17.440 -14.650 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.075 17.321 -16.967 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.424 18.726 -17.980 1.00 0.00 H new ATOM 132 N LYS A 13 -16.749 13.550 -14.851 1.00 0.00 N ATOM 133 CA LYS A 13 -15.852 12.781 -13.996 1.00 0.00 C ATOM 134 C LYS A 13 -14.745 12.128 -14.817 1.00 0.00 C ATOM 135 O LYS A 13 -14.902 11.012 -15.314 1.00 0.00 O ATOM 136 CB LYS A 13 -16.635 11.711 -13.232 1.00 0.00 C ATOM 137 CG LYS A 13 -15.894 11.161 -12.026 1.00 0.00 C ATOM 138 CD LYS A 13 -16.362 9.759 -11.675 1.00 0.00 C ATOM 139 CE LYS A 13 -15.269 8.963 -10.979 1.00 0.00 C ATOM 140 NZ LYS A 13 -15.229 9.237 -9.516 1.00 0.00 N ATOM 0 H LYS A 13 -17.136 13.025 -15.636 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.394 13.466 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.585 12.133 -12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.869 10.890 -13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.824 11.147 -12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.047 11.821 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.238 9.818 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.670 9.239 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.434 7.898 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.303 9.209 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.471 8.675 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.047 10.248 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.142 8.979 -9.089 1.00 0.00 H new ATOM 154 N LEU A 14 -13.624 12.829 -14.954 1.00 0.00 N ATOM 155 CA LEU A 14 -12.489 12.316 -15.713 1.00 0.00 C ATOM 156 C LEU A 14 -11.231 12.275 -14.852 1.00 0.00 C ATOM 157 O LEU A 14 -10.194 12.826 -15.223 1.00 0.00 O ATOM 158 CB LEU A 14 -12.246 13.180 -16.952 1.00 0.00 C ATOM 159 CG LEU A 14 -13.159 12.911 -18.148 1.00 0.00 C ATOM 160 CD1 LEU A 14 -13.263 14.146 -19.029 1.00 0.00 C ATOM 161 CD2 LEU A 14 -12.650 11.722 -18.951 1.00 0.00 C ATOM 0 H LEU A 14 -13.477 13.754 -14.549 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.724 11.299 -16.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.353 14.227 -16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.213 13.040 -17.271 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.155 12.672 -17.774 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.917 13.935 -19.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.674 14.973 -18.450 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.272 14.417 -19.395 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.312 11.545 -19.799 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.644 11.932 -19.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.629 10.836 -18.316 1.00 0.00 H new ATOM 173 N LEU A 15 -11.329 11.619 -13.701 1.00 0.00 N ATOM 174 CA LEU A 15 -10.198 11.505 -12.787 1.00 0.00 C ATOM 175 C LEU A 15 -10.256 10.193 -12.011 1.00 0.00 C ATOM 176 O LEU A 15 -11.325 9.763 -11.578 1.00 0.00 O ATOM 177 CB LEU A 15 -10.182 12.685 -11.814 1.00 0.00 C ATOM 178 CG LEU A 15 -11.047 12.536 -10.562 1.00 0.00 C ATOM 179 CD1 LEU A 15 -10.594 13.505 -9.481 1.00 0.00 C ATOM 180 CD2 LEU A 15 -12.515 12.757 -10.899 1.00 0.00 C ATOM 0 H LEU A 15 -12.180 11.158 -13.379 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.282 11.517 -13.378 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.152 12.858 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.506 13.577 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.931 11.521 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.221 13.384 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.556 13.299 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.679 14.527 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.116 12.647 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.648 13.760 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.833 12.022 -11.638 1.00 0.00 H new ATOM 192 N ARG A 16 -9.099 9.563 -11.838 1.00 0.00 N ATOM 193 CA ARG A 16 -9.017 8.300 -11.113 1.00 0.00 C ATOM 194 C ARG A 16 -7.571 7.969 -10.758 1.00 0.00 C ATOM 195 O ARG A 16 -6.650 8.255 -11.525 1.00 0.00 O ATOM 196 CB ARG A 16 -9.620 7.169 -11.948 1.00 0.00 C ATOM 197 CG ARG A 16 -8.835 6.858 -13.211 1.00 0.00 C ATOM 198 CD ARG A 16 -7.854 5.717 -12.991 1.00 0.00 C ATOM 199 NE ARG A 16 -7.413 5.123 -14.250 1.00 0.00 N ATOM 200 CZ ARG A 16 -7.020 3.860 -14.369 1.00 0.00 C ATOM 201 NH1 ARG A 16 -7.012 3.062 -13.310 1.00 0.00 N ATOM 202 NH2 ARG A 16 -6.633 3.392 -15.549 1.00 0.00 N ATOM 0 H ARG A 16 -8.205 9.906 -12.190 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.585 8.403 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.679 6.269 -11.336 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.641 7.436 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.524 6.597 -14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.294 7.748 -13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.988 6.085 -12.441 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.322 4.951 -12.373 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.406 5.710 -15.084 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.308 3.418 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.710 2.092 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.637 4.003 -16.366 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.331 2.422 -15.639 1.00 0.00 H new ATOM 216 N THR A 17 -7.377 7.365 -9.590 1.00 0.00 N ATOM 217 CA THR A 17 -6.043 6.997 -9.132 1.00 0.00 C ATOM 218 C THR A 17 -5.965 5.510 -8.802 1.00 0.00 C ATOM 219 O THR A 17 -5.278 5.108 -7.863 1.00 0.00 O ATOM 220 CB THR A 17 -5.631 7.809 -7.889 1.00 0.00 C ATOM 221 OG1 THR A 17 -4.258 7.556 -7.572 1.00 0.00 O ATOM 222 CG2 THR A 17 -6.506 7.454 -6.697 1.00 0.00 C ATOM 0 H THR A 17 -8.127 7.120 -8.944 1.00 0.00 H new ATOM 0 HA THR A 17 -5.356 7.222 -9.948 1.00 0.00 H new ATOM 0 HB THR A 17 -5.762 8.868 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.684 7.960 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.197 8.040 -5.831 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.547 7.675 -6.931 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.402 6.392 -6.473 1.00 0.00 H new ATOM 230 N ASP A 18 -6.674 4.699 -9.580 1.00 0.00 N ATOM 231 CA ASP A 18 -6.684 3.256 -9.371 1.00 0.00 C ATOM 232 C ASP A 18 -5.562 2.585 -10.158 1.00 0.00 C ATOM 233 O ASP A 18 -5.792 1.622 -10.890 1.00 0.00 O ATOM 234 CB ASP A 18 -8.035 2.669 -9.784 1.00 0.00 C ATOM 235 CG ASP A 18 -9.200 3.531 -9.340 1.00 0.00 C ATOM 236 OD1 ASP A 18 -9.417 4.597 -9.954 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.896 3.139 -8.381 1.00 0.00 O ATOM 0 H ASP A 18 -7.249 5.016 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.523 3.066 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.063 2.556 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.141 1.672 -9.357 1.00 0.00 H new ATOM 242 N LYS A 19 -4.347 3.101 -10.004 1.00 0.00 N ATOM 243 CA LYS A 19 -3.189 2.553 -10.699 1.00 0.00 C ATOM 244 C LYS A 19 -1.980 2.484 -9.771 1.00 0.00 C ATOM 245 O LYS A 19 -1.642 3.461 -9.101 1.00 0.00 O ATOM 246 CB LYS A 19 -2.855 3.405 -11.926 1.00 0.00 C ATOM 247 CG LYS A 19 -3.951 3.412 -12.977 1.00 0.00 C ATOM 248 CD LYS A 19 -3.908 2.161 -13.838 1.00 0.00 C ATOM 249 CE LYS A 19 -2.799 2.237 -14.876 1.00 0.00 C ATOM 250 NZ LYS A 19 -3.139 3.174 -15.983 1.00 0.00 N ATOM 0 H LYS A 19 -4.139 3.899 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.435 1.542 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.664 4.429 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.934 3.034 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.923 3.486 -12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.844 4.293 -13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.756 1.287 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.867 2.029 -14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.875 2.561 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.615 1.243 -15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.048 2.682 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.117 3.509 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.490 3.986 -15.962 1.00 0.00 H new ATOM 264 N LEU A 20 -1.331 1.325 -9.737 1.00 0.00 N ATOM 265 CA LEU A 20 -0.158 1.129 -8.893 1.00 0.00 C ATOM 266 C LEU A 20 1.065 0.776 -9.732 1.00 0.00 C ATOM 267 O LEU A 20 0.984 -0.039 -10.651 1.00 0.00 O ATOM 268 CB LEU A 20 -0.423 0.025 -7.867 1.00 0.00 C ATOM 269 CG LEU A 20 -1.017 0.477 -6.532 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.733 -0.677 -5.848 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.070 1.044 -5.630 1.00 0.00 C ATOM 0 H LEU A 20 -1.598 0.507 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 20 0.042 2.064 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.099 -0.704 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.516 -0.491 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.746 1.264 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.149 -0.336 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.538 -1.037 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.026 -1.486 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.370 1.361 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.822 0.278 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.537 1.900 -6.117 1.00 0.00 H new ATOM 283 N GLU A 21 2.197 1.394 -9.410 1.00 0.00 N ATOM 284 CA GLU A 21 3.437 1.143 -10.134 1.00 0.00 C ATOM 285 C GLU A 21 4.062 -0.180 -9.701 1.00 0.00 C ATOM 286 O GLU A 21 4.354 -0.385 -8.523 1.00 0.00 O ATOM 287 CB GLU A 21 4.427 2.287 -9.906 1.00 0.00 C ATOM 288 CG GLU A 21 4.035 3.580 -10.600 1.00 0.00 C ATOM 289 CD GLU A 21 4.718 4.794 -10.002 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.803 4.876 -8.758 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.169 5.663 -10.777 1.00 0.00 O ATOM 0 H GLU A 21 2.281 2.072 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 21 3.202 1.083 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.515 2.472 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.412 1.980 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.287 3.511 -11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.954 3.708 -10.537 1.00 0.00 H new ATOM 298 N VAL A 22 4.264 -1.075 -10.663 1.00 0.00 N ATOM 299 CA VAL A 22 4.854 -2.379 -10.383 1.00 0.00 C ATOM 300 C VAL A 22 6.344 -2.254 -10.083 1.00 0.00 C ATOM 301 O VAL A 22 7.066 -1.523 -10.762 1.00 0.00 O ATOM 302 CB VAL A 22 4.658 -3.349 -11.562 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.521 -4.588 -11.384 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.191 -3.727 -11.703 1.00 0.00 C ATOM 0 H VAL A 22 4.028 -0.921 -11.643 1.00 0.00 H new ATOM 0 HA VAL A 22 4.342 -2.777 -9.507 1.00 0.00 H new ATOM 0 HB VAL A 22 4.970 -2.847 -12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.369 -5.262 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.570 -4.297 -11.337 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.243 -5.095 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.071 -4.413 -12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.850 -4.210 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.599 -2.829 -11.882 1.00 0.00 H new ATOM 314 N CYS A 23 6.798 -2.973 -9.063 1.00 0.00 N ATOM 315 CA CYS A 23 8.203 -2.945 -8.672 1.00 0.00 C ATOM 316 C CYS A 23 9.057 -3.744 -9.652 1.00 0.00 C ATOM 317 O CYS A 23 8.744 -4.891 -9.971 1.00 0.00 O ATOM 318 CB CYS A 23 8.372 -3.503 -7.258 1.00 0.00 C ATOM 319 SG CYS A 23 9.750 -2.762 -6.325 1.00 0.00 S ATOM 0 H CYS A 23 6.214 -3.583 -8.491 1.00 0.00 H new ATOM 0 HA CYS A 23 8.538 -1.908 -8.688 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.446 -3.346 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.527 -4.580 -7.320 1.00 0.00 H new ATOM 324 N ARG A 24 10.136 -3.130 -10.125 1.00 0.00 N ATOM 325 CA ARG A 24 11.034 -3.783 -11.069 1.00 0.00 C ATOM 326 C ARG A 24 11.915 -4.809 -10.361 1.00 0.00 C ATOM 327 O ARG A 24 12.246 -5.851 -10.925 1.00 0.00 O ATOM 328 CB ARG A 24 11.909 -2.746 -11.775 1.00 0.00 C ATOM 329 CG ARG A 24 11.177 -1.965 -12.854 1.00 0.00 C ATOM 330 CD ARG A 24 12.142 -1.398 -13.884 1.00 0.00 C ATOM 331 NE ARG A 24 13.001 -0.362 -13.317 1.00 0.00 N ATOM 332 CZ ARG A 24 12.641 0.912 -13.208 1.00 0.00 C ATOM 333 NH1 ARG A 24 11.445 1.305 -13.624 1.00 0.00 N ATOM 334 NH2 ARG A 24 13.478 1.796 -12.681 1.00 0.00 N ATOM 0 H ARG A 24 10.410 -2.181 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 24 10.426 -4.301 -11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.299 -2.048 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.766 -3.250 -12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.456 -2.615 -13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.613 -1.152 -12.397 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.760 -2.202 -14.284 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.578 -0.984 -14.720 1.00 0.00 H new ATOM 0 HE ARG A 24 13.928 -0.631 -12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.798 0.628 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.172 2.284 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.399 1.498 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.201 2.774 -12.598 1.00 0.00 H new ATOM 348 N GLU A 25 12.290 -4.505 -9.123 1.00 0.00 N ATOM 349 CA GLU A 25 13.133 -5.400 -8.339 1.00 0.00 C ATOM 350 C GLU A 25 12.397 -6.698 -8.018 1.00 0.00 C ATOM 351 O GLU A 25 12.824 -7.782 -8.417 1.00 0.00 O ATOM 352 CB GLU A 25 13.573 -4.717 -7.042 1.00 0.00 C ATOM 353 CG GLU A 25 14.682 -3.696 -7.239 1.00 0.00 C ATOM 354 CD GLU A 25 14.645 -2.590 -6.203 1.00 0.00 C ATOM 355 OE1 GLU A 25 14.852 -2.889 -5.008 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.410 -1.425 -6.586 1.00 0.00 O ATOM 0 H GLU A 25 12.024 -3.646 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 25 14.015 -5.639 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.712 -4.224 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.911 -5.477 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.647 -4.200 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.597 -3.260 -8.234 1.00 0.00 H new ATOM 363 N PHE A 26 11.289 -6.580 -7.294 1.00 0.00 N ATOM 364 CA PHE A 26 10.494 -7.743 -6.917 1.00 0.00 C ATOM 365 C PHE A 26 10.519 -8.798 -8.019 1.00 0.00 C ATOM 366 O PHE A 26 10.728 -9.982 -7.753 1.00 0.00 O ATOM 367 CB PHE A 26 9.050 -7.328 -6.626 1.00 0.00 C ATOM 368 CG PHE A 26 8.065 -8.453 -6.758 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.828 -9.312 -5.697 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.375 -8.652 -7.943 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.922 -10.349 -5.816 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.467 -9.687 -8.068 1.00 0.00 C ATOM 373 CZ PHE A 26 6.240 -10.536 -7.002 1.00 0.00 C ATOM 0 H PHE A 26 10.921 -5.691 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 26 10.930 -8.173 -6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.993 -6.923 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.767 -6.526 -7.307 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.357 -9.170 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.549 -7.991 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.748 -11.013 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.936 -9.832 -8.997 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.530 -11.345 -7.096 1.00 0.00 H new ATOM 383 N GLN A 27 10.303 -8.360 -9.255 1.00 0.00 N ATOM 384 CA GLN A 27 10.299 -9.267 -10.397 1.00 0.00 C ATOM 385 C GLN A 27 11.522 -10.179 -10.372 1.00 0.00 C ATOM 386 O GLN A 27 11.397 -11.402 -10.434 1.00 0.00 O ATOM 387 CB GLN A 27 10.267 -8.474 -11.704 1.00 0.00 C ATOM 388 CG GLN A 27 9.095 -7.510 -11.802 1.00 0.00 C ATOM 389 CD GLN A 27 8.945 -6.913 -13.188 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.533 -5.876 -13.496 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.154 -7.566 -14.031 1.00 0.00 N ATOM 0 H GLN A 27 10.129 -7.383 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 27 9.405 -9.887 -10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.197 -7.914 -11.802 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.225 -9.171 -12.541 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.177 -8.032 -11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.228 -6.707 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.687 -8.422 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.014 -7.212 -14.977 1.00 0.00 H new ATOM 400 N ARG A 28 12.702 -9.575 -10.281 1.00 0.00 N ATOM 401 CA ARG A 28 13.947 -10.333 -10.249 1.00 0.00 C ATOM 402 C ARG A 28 14.262 -10.803 -8.832 1.00 0.00 C ATOM 403 O ARG A 28 15.388 -11.198 -8.534 1.00 0.00 O ATOM 404 CB ARG A 28 15.101 -9.482 -10.785 1.00 0.00 C ATOM 405 CG ARG A 28 15.158 -8.087 -10.184 1.00 0.00 C ATOM 406 CD ARG A 28 16.548 -7.484 -10.309 1.00 0.00 C ATOM 407 NE ARG A 28 17.528 -8.195 -9.493 1.00 0.00 N ATOM 408 CZ ARG A 28 18.720 -7.700 -9.178 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.077 -6.497 -9.608 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.558 -8.407 -8.431 1.00 0.00 N ATOM 0 H ARG A 28 12.822 -8.563 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 28 13.825 -11.210 -10.885 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.042 -9.994 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.008 -9.399 -11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.435 -7.444 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.872 -8.130 -9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.861 -7.507 -11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.517 -6.437 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 28 17.284 -9.123 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.436 -5.950 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.993 -6.119 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.288 -9.332 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.473 -8.025 -8.190 1.00 0.00 H new ATOM 424 N GLY A 29 13.258 -10.755 -7.961 1.00 0.00 N ATOM 425 CA GLY A 29 13.449 -11.177 -6.586 1.00 0.00 C ATOM 426 C GLY A 29 14.613 -10.473 -5.919 1.00 0.00 C ATOM 427 O GLY A 29 15.478 -11.115 -5.325 1.00 0.00 O ATOM 0 H GLY A 29 12.317 -10.432 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.538 -10.982 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.617 -12.254 -6.560 1.00 0.00 H new ATOM 431 N ASN A 30 14.638 -9.148 -6.019 1.00 0.00 N ATOM 432 CA ASN A 30 15.707 -8.356 -5.423 1.00 0.00 C ATOM 433 C ASN A 30 15.150 -7.384 -4.386 1.00 0.00 C ATOM 434 O ASN A 30 15.821 -7.049 -3.410 1.00 0.00 O ATOM 435 CB ASN A 30 16.464 -7.585 -6.506 1.00 0.00 C ATOM 436 CG ASN A 30 17.738 -6.951 -5.981 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.570 -7.619 -5.367 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.895 -5.654 -6.220 1.00 0.00 N ATOM 0 H ASN A 30 13.930 -8.600 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 30 16.396 -9.038 -4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.709 -8.261 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.817 -6.809 -6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.731 -5.172 -5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.179 -5.140 -6.733 1.00 0.00 H new ATOM 445 N CYS A 31 13.919 -6.934 -4.606 1.00 0.00 N ATOM 446 CA CYS A 31 13.271 -6.001 -3.692 1.00 0.00 C ATOM 447 C CYS A 31 13.307 -6.528 -2.261 1.00 0.00 C ATOM 448 O CYS A 31 13.163 -7.728 -2.026 1.00 0.00 O ATOM 449 CB CYS A 31 11.823 -5.758 -4.122 1.00 0.00 C ATOM 450 SG CYS A 31 10.994 -4.414 -3.213 1.00 0.00 S ATOM 0 H CYS A 31 13.350 -7.201 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 31 13.817 -5.058 -3.726 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.805 -5.527 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.255 -6.679 -3.986 1.00 0.00 H new ATOM 455 N ALA A 32 13.500 -5.623 -1.307 1.00 0.00 N ATOM 456 CA ALA A 32 13.552 -5.995 0.101 1.00 0.00 C ATOM 457 C ALA A 32 12.358 -5.431 0.863 1.00 0.00 C ATOM 458 O ALA A 32 11.929 -5.995 1.869 1.00 0.00 O ATOM 459 CB ALA A 32 14.854 -5.515 0.726 1.00 0.00 C ATOM 0 H ALA A 32 13.623 -4.626 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 32 13.510 -7.082 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.879 -5.800 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.697 -5.971 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.920 -4.430 0.642 1.00 0.00 H new ATOM 465 N ARG A 33 11.825 -4.314 0.377 1.00 0.00 N ATOM 466 CA ARG A 33 10.682 -3.673 1.014 1.00 0.00 C ATOM 467 C ARG A 33 9.450 -4.572 0.953 1.00 0.00 C ATOM 468 O ARG A 33 8.490 -4.378 1.696 1.00 0.00 O ATOM 469 CB ARG A 33 10.381 -2.333 0.340 1.00 0.00 C ATOM 470 CG ARG A 33 11.351 -1.227 0.724 1.00 0.00 C ATOM 471 CD ARG A 33 10.692 0.142 0.651 1.00 0.00 C ATOM 472 NE ARG A 33 11.609 1.212 1.035 1.00 0.00 N ATOM 473 CZ ARG A 33 12.581 1.664 0.250 1.00 0.00 C ATOM 474 NH1 ARG A 33 12.761 1.143 -0.955 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.374 2.641 0.671 1.00 0.00 N ATOM 0 H ARG A 33 12.167 -3.835 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 33 10.932 -3.499 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.405 -2.466 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.369 -2.024 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.721 -1.401 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.215 -1.252 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.334 0.318 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.820 0.160 1.305 1.00 0.00 H new ATOM 0 HE ARG A 33 11.497 1.635 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.152 0.393 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.508 1.492 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.237 3.045 1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.120 2.988 0.068 1.00 0.00 H new ATOM 489 N GLY A 34 9.487 -5.557 0.060 1.00 0.00 N ATOM 490 CA GLY A 34 8.368 -6.471 -0.082 1.00 0.00 C ATOM 491 C GLY A 34 7.055 -5.749 -0.310 1.00 0.00 C ATOM 492 O GLY A 34 7.008 -4.520 -0.312 1.00 0.00 O ATOM 0 H GLY A 34 10.271 -5.738 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.558 -7.146 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.290 -7.087 0.814 1.00 0.00 H new ATOM 496 N GLU A 35 5.987 -6.516 -0.505 1.00 0.00 N ATOM 497 CA GLU A 35 4.667 -5.940 -0.739 1.00 0.00 C ATOM 498 C GLU A 35 4.029 -5.494 0.573 1.00 0.00 C ATOM 499 O GLU A 35 2.834 -5.198 0.628 1.00 0.00 O ATOM 500 CB GLU A 35 3.761 -6.954 -1.440 1.00 0.00 C ATOM 501 CG GLU A 35 2.354 -6.440 -1.693 1.00 0.00 C ATOM 502 CD GLU A 35 1.640 -7.208 -2.788 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.569 -8.451 -2.692 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.152 -6.566 -3.742 1.00 0.00 O ATOM 0 H GLU A 35 6.009 -7.536 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 35 4.788 -5.067 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.213 -7.235 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.705 -7.858 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.776 -6.507 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.400 -5.385 -1.965 1.00 0.00 H new ATOM 511 N THR A 36 4.833 -5.447 1.631 1.00 0.00 N ATOM 512 CA THR A 36 4.348 -5.039 2.943 1.00 0.00 C ATOM 513 C THR A 36 4.995 -3.732 3.386 1.00 0.00 C ATOM 514 O THR A 36 4.427 -2.986 4.185 1.00 0.00 O ATOM 515 CB THR A 36 4.623 -6.120 4.005 1.00 0.00 C ATOM 516 OG1 THR A 36 5.991 -6.537 3.936 1.00 0.00 O ATOM 517 CG2 THR A 36 3.711 -7.321 3.804 1.00 0.00 C ATOM 0 H THR A 36 5.824 -5.687 1.604 1.00 0.00 H new ATOM 0 HA THR A 36 3.271 -4.896 2.851 1.00 0.00 H new ATOM 0 HB THR A 36 4.423 -5.692 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.159 -7.223 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.924 -8.071 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.671 -7.006 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.884 -7.748 2.816 1.00 0.00 H new ATOM 525 N ASP A 37 6.185 -3.458 2.862 1.00 0.00 N ATOM 526 CA ASP A 37 6.908 -2.239 3.203 1.00 0.00 C ATOM 527 C ASP A 37 7.222 -1.426 1.951 1.00 0.00 C ATOM 528 O ASP A 37 7.718 -0.302 2.035 1.00 0.00 O ATOM 529 CB ASP A 37 8.202 -2.578 3.944 1.00 0.00 C ATOM 530 CG ASP A 37 8.732 -1.409 4.750 1.00 0.00 C ATOM 531 OD1 ASP A 37 9.441 -0.560 4.170 1.00 0.00 O ATOM 532 OD2 ASP A 37 8.436 -1.342 5.961 1.00 0.00 O ATOM 0 H ASP A 37 6.669 -4.064 2.199 1.00 0.00 H new ATOM 0 HA ASP A 37 6.273 -1.639 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.025 -3.423 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.958 -2.891 3.224 1.00 0.00 H new ATOM 537 N CYS A 38 6.933 -2.003 0.789 1.00 0.00 N ATOM 538 CA CYS A 38 7.185 -1.334 -0.481 1.00 0.00 C ATOM 539 C CYS A 38 5.913 -0.681 -1.015 1.00 0.00 C ATOM 540 O CYS A 38 4.816 -1.218 -0.861 1.00 0.00 O ATOM 541 CB CYS A 38 7.729 -2.330 -1.507 1.00 0.00 C ATOM 542 SG CYS A 38 8.529 -1.552 -2.948 1.00 0.00 S ATOM 0 H CYS A 38 6.524 -2.933 0.701 1.00 0.00 H new ATOM 0 HA CYS A 38 7.928 -0.555 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.448 -2.985 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.910 -2.960 -1.855 1.00 0.00 H new ATOM 547 N ARG A 39 6.069 0.480 -1.643 1.00 0.00 N ATOM 548 CA ARG A 39 4.934 1.206 -2.199 1.00 0.00 C ATOM 549 C ARG A 39 4.489 0.591 -3.522 1.00 0.00 C ATOM 550 O ARG A 39 3.296 0.524 -3.818 1.00 0.00 O ATOM 551 CB ARG A 39 5.295 2.679 -2.404 1.00 0.00 C ATOM 552 CG ARG A 39 5.451 3.455 -1.107 1.00 0.00 C ATOM 553 CD ARG A 39 5.611 4.945 -1.364 1.00 0.00 C ATOM 554 NE ARG A 39 5.182 5.747 -0.222 1.00 0.00 N ATOM 555 CZ ARG A 39 5.816 5.761 0.945 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.902 5.020 1.123 1.00 0.00 N ATOM 557 NH2 ARG A 39 5.365 6.517 1.938 1.00 0.00 N ATOM 0 H ARG A 39 6.970 0.938 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 39 4.108 1.136 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.225 2.741 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.522 3.153 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.580 3.286 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.319 3.084 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.655 5.164 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.030 5.226 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 39 4.350 6.328 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.252 4.437 0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.387 5.033 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.530 7.088 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.853 6.527 2.834 1.00 0.00 H new ATOM 571 N PHE A 40 5.457 0.142 -4.315 1.00 0.00 N ATOM 572 CA PHE A 40 5.166 -0.467 -5.607 1.00 0.00 C ATOM 573 C PHE A 40 4.444 -1.800 -5.431 1.00 0.00 C ATOM 574 O PHE A 40 4.831 -2.622 -4.601 1.00 0.00 O ATOM 575 CB PHE A 40 6.458 -0.675 -6.399 1.00 0.00 C ATOM 576 CG PHE A 40 7.113 0.607 -6.827 1.00 0.00 C ATOM 577 CD1 PHE A 40 7.799 1.389 -5.912 1.00 0.00 C ATOM 578 CD2 PHE A 40 7.042 1.031 -8.144 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.402 2.570 -6.302 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.643 2.211 -8.541 1.00 0.00 C ATOM 581 CZ PHE A 40 8.324 2.981 -7.619 1.00 0.00 C ATOM 0 H PHE A 40 6.450 0.189 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 40 4.513 0.209 -6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.159 -1.246 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.240 -1.275 -7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.863 1.072 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.511 0.433 -8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.933 3.171 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.580 2.530 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.795 3.903 -7.927 1.00 0.00 H new ATOM 591 N ALA A 41 3.392 -2.004 -6.216 1.00 0.00 N ATOM 592 CA ALA A 41 2.616 -3.237 -6.148 1.00 0.00 C ATOM 593 C ALA A 41 3.401 -4.412 -6.721 1.00 0.00 C ATOM 594 O ALA A 41 3.908 -4.345 -7.842 1.00 0.00 O ATOM 595 CB ALA A 41 1.296 -3.071 -6.887 1.00 0.00 C ATOM 0 H ALA A 41 3.057 -1.332 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 41 2.409 -3.449 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.727 -3.999 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.723 -2.264 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.492 -2.831 -7.932 1.00 0.00 H new ATOM 601 N HIS A 42 3.499 -5.487 -5.946 1.00 0.00 N ATOM 602 CA HIS A 42 4.223 -6.677 -6.377 1.00 0.00 C ATOM 603 C HIS A 42 3.261 -7.736 -6.908 1.00 0.00 C ATOM 604 O HIS A 42 2.592 -8.438 -6.149 1.00 0.00 O ATOM 605 CB HIS A 42 5.041 -7.250 -5.219 1.00 0.00 C ATOM 606 CG HIS A 42 6.149 -6.350 -4.766 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.094 -6.729 -3.836 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.462 -5.082 -5.123 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.939 -5.733 -3.639 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.577 -4.721 -4.408 1.00 0.00 N ATOM 0 H HIS A 42 3.086 -5.558 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 42 4.899 -6.389 -7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.376 -7.446 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.463 -8.208 -5.522 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.134 -7.637 -3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.933 -4.469 -5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.782 -5.744 -2.964 1.00 0.00 H new ATOM 618 N PRO A 43 3.187 -7.854 -8.242 1.00 0.00 N ATOM 619 CA PRO A 43 2.310 -8.824 -8.904 1.00 0.00 C ATOM 620 C PRO A 43 2.779 -10.261 -8.704 1.00 0.00 C ATOM 621 O PRO A 43 3.934 -10.503 -8.353 1.00 0.00 O ATOM 622 CB PRO A 43 2.399 -8.432 -10.381 1.00 0.00 C ATOM 623 CG PRO A 43 3.718 -7.754 -10.514 1.00 0.00 C ATOM 624 CD PRO A 43 3.956 -7.050 -9.207 1.00 0.00 C ATOM 0 HA PRO A 43 1.297 -8.798 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.337 -9.307 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.582 -7.768 -10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.509 -8.476 -10.718 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.711 -7.046 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.016 -7.022 -8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.608 -6.017 -9.237 1.00 0.00 H new ATOM 632 N ALA A 44 1.878 -11.210 -8.932 1.00 0.00 N ATOM 633 CA ALA A 44 2.201 -12.623 -8.779 1.00 0.00 C ATOM 634 C ALA A 44 3.176 -13.083 -9.858 1.00 0.00 C ATOM 635 O ALA A 44 4.124 -13.817 -9.579 1.00 0.00 O ATOM 636 CB ALA A 44 0.932 -13.462 -8.820 1.00 0.00 C ATOM 0 H ALA A 44 0.918 -11.026 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 44 2.682 -12.758 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.188 -14.515 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.269 -13.159 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.428 -13.314 -9.775 1.00 0.00 H new ATOM 642 N ASP A 45 2.937 -12.646 -11.089 1.00 0.00 N ATOM 643 CA ASP A 45 3.795 -13.013 -12.210 1.00 0.00 C ATOM 644 C ASP A 45 3.939 -11.850 -13.187 1.00 0.00 C ATOM 645 O ASP A 45 3.341 -10.791 -12.999 1.00 0.00 O ATOM 646 CB ASP A 45 3.230 -14.236 -12.934 1.00 0.00 C ATOM 647 CG ASP A 45 4.310 -15.065 -13.600 1.00 0.00 C ATOM 648 OD1 ASP A 45 5.475 -14.992 -13.154 1.00 0.00 O ATOM 649 OD2 ASP A 45 3.992 -15.787 -14.568 1.00 0.00 O ATOM 0 H ASP A 45 2.157 -12.037 -11.336 1.00 0.00 H new ATOM 0 HA ASP A 45 4.781 -13.258 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.687 -14.857 -12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.511 -13.910 -13.686 1.00 0.00 H new ATOM 654 N SER A 46 4.737 -12.056 -14.230 1.00 0.00 N ATOM 655 CA SER A 46 4.963 -11.023 -15.235 1.00 0.00 C ATOM 656 C SER A 46 3.900 -11.084 -16.327 1.00 0.00 C ATOM 657 O SER A 46 4.202 -10.956 -17.513 1.00 0.00 O ATOM 658 CB SER A 46 6.354 -11.179 -15.852 1.00 0.00 C ATOM 659 OG SER A 46 6.704 -10.038 -16.616 1.00 0.00 O ATOM 0 H SER A 46 5.238 -12.928 -14.401 1.00 0.00 H new ATOM 0 HA SER A 46 4.897 -10.052 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.090 -11.332 -15.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.377 -12.066 -16.485 1.00 0.00 H new ATOM 0 HG SER A 46 6.011 -9.869 -17.287 1.00 0.00 H new ATOM 665 N THR A 47 2.650 -11.282 -15.917 1.00 0.00 N ATOM 666 CA THR A 47 1.541 -11.362 -16.858 1.00 0.00 C ATOM 667 C THR A 47 0.690 -10.098 -16.814 1.00 0.00 C ATOM 668 O THR A 47 0.232 -9.610 -17.847 1.00 0.00 O ATOM 669 CB THR A 47 0.645 -12.581 -16.569 1.00 0.00 C ATOM 670 OG1 THR A 47 1.423 -13.782 -16.609 1.00 0.00 O ATOM 671 CG2 THR A 47 -0.489 -12.671 -17.578 1.00 0.00 C ATOM 0 H THR A 47 2.382 -11.390 -14.939 1.00 0.00 H new ATOM 0 HA THR A 47 1.977 -11.469 -17.851 1.00 0.00 H new ATOM 0 HB THR A 47 0.216 -12.460 -15.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.846 -14.552 -16.423 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.108 -13.540 -17.353 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.097 -11.768 -17.523 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.076 -12.770 -18.582 1.00 0.00 H new ATOM 679 N MET A 48 0.483 -9.571 -15.611 1.00 0.00 N ATOM 680 CA MET A 48 -0.312 -8.362 -15.433 1.00 0.00 C ATOM 681 C MET A 48 0.582 -7.128 -15.364 1.00 0.00 C ATOM 682 O MET A 48 0.289 -6.178 -14.638 1.00 0.00 O ATOM 683 CB MET A 48 -1.159 -8.464 -14.163 1.00 0.00 C ATOM 684 CG MET A 48 -2.185 -9.585 -14.205 1.00 0.00 C ATOM 685 SD MET A 48 -3.769 -9.050 -14.880 1.00 0.00 S ATOM 686 CE MET A 48 -4.746 -8.917 -13.384 1.00 0.00 C ATOM 0 H MET A 48 0.855 -9.963 -14.746 1.00 0.00 H new ATOM 0 HA MET A 48 -0.973 -8.263 -16.294 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.500 -8.617 -13.308 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.674 -7.517 -14.003 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.796 -10.406 -14.807 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.336 -9.972 -13.197 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.756 -8.594 -13.637 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.788 -9.887 -12.890 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.289 -8.188 -12.715 1.00 0.00 H new ATOM 696 N ILE A 49 1.673 -7.150 -16.122 1.00 0.00 N ATOM 697 CA ILE A 49 2.609 -6.033 -16.147 1.00 0.00 C ATOM 698 C ILE A 49 2.796 -5.503 -17.564 1.00 0.00 C ATOM 699 O ILE A 49 2.851 -6.273 -18.523 1.00 0.00 O ATOM 700 CB ILE A 49 3.982 -6.437 -15.576 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.845 -6.868 -14.115 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.968 -5.285 -15.704 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.884 -7.878 -13.682 1.00 0.00 C ATOM 0 H ILE A 49 1.931 -7.930 -16.727 1.00 0.00 H new ATOM 0 HA ILE A 49 2.181 -5.249 -15.523 1.00 0.00 H new ATOM 0 HB ILE A 49 4.363 -7.282 -16.150 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.918 -5.987 -13.477 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.852 -7.292 -13.961 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.933 -5.585 -15.296 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.084 -5.021 -16.755 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.594 -4.423 -15.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.725 -8.137 -12.635 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.797 -8.775 -14.295 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.879 -7.451 -13.803 1.00 0.00 H new ATOM 715 N ASP A 50 2.894 -4.184 -17.688 1.00 0.00 N ATOM 716 CA ASP A 50 3.078 -3.550 -18.989 1.00 0.00 C ATOM 717 C ASP A 50 4.470 -2.936 -19.102 1.00 0.00 C ATOM 718 O ASP A 50 4.859 -2.097 -18.288 1.00 0.00 O ATOM 719 CB ASP A 50 2.013 -2.475 -19.211 1.00 0.00 C ATOM 720 CG ASP A 50 1.669 -2.295 -20.676 1.00 0.00 C ATOM 721 OD1 ASP A 50 2.585 -2.408 -21.518 1.00 0.00 O ATOM 722 OD2 ASP A 50 0.485 -2.040 -20.982 1.00 0.00 O ATOM 0 H ASP A 50 2.849 -3.533 -16.904 1.00 0.00 H new ATOM 0 HA ASP A 50 2.975 -4.316 -19.757 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.112 -2.741 -18.659 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.367 -1.528 -18.805 1.00 0.00 H new ATOM 727 N THR A 51 5.218 -3.360 -20.116 1.00 0.00 N ATOM 728 CA THR A 51 6.567 -2.854 -20.334 1.00 0.00 C ATOM 729 C THR A 51 6.538 -1.441 -20.905 1.00 0.00 C ATOM 730 O THR A 51 7.582 -0.860 -21.203 1.00 0.00 O ATOM 731 CB THR A 51 7.361 -3.765 -21.289 1.00 0.00 C ATOM 732 OG1 THR A 51 6.709 -3.826 -22.563 1.00 0.00 O ATOM 733 CG2 THR A 51 7.493 -5.167 -20.714 1.00 0.00 C ATOM 0 H THR A 51 4.912 -4.053 -20.799 1.00 0.00 H new ATOM 0 HA THR A 51 7.061 -2.841 -19.362 1.00 0.00 H new ATOM 0 HB THR A 51 8.359 -3.344 -21.412 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.221 -4.406 -23.165 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.057 -5.792 -21.406 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.015 -5.121 -19.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.501 -5.594 -20.565 1.00 0.00 H new ATOM 741 N SER A 52 5.337 -0.892 -21.055 1.00 0.00 N ATOM 742 CA SER A 52 5.172 0.453 -21.593 1.00 0.00 C ATOM 743 C SER A 52 5.095 1.483 -20.469 1.00 0.00 C ATOM 744 O SER A 52 5.710 2.546 -20.544 1.00 0.00 O ATOM 745 CB SER A 52 3.912 0.529 -22.457 1.00 0.00 C ATOM 746 OG SER A 52 2.751 0.258 -21.691 1.00 0.00 O ATOM 0 H SER A 52 4.463 -1.358 -20.811 1.00 0.00 H new ATOM 0 HA SER A 52 6.041 0.679 -22.210 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.833 1.520 -22.904 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.986 -0.186 -23.277 1.00 0.00 H new ATOM 0 HG SER A 52 2.423 1.089 -21.289 1.00 0.00 H new ATOM 752 N ASP A 53 4.335 1.158 -19.429 1.00 0.00 N ATOM 753 CA ASP A 53 4.177 2.052 -18.289 1.00 0.00 C ATOM 754 C ASP A 53 4.560 1.350 -16.990 1.00 0.00 C ATOM 755 O ASP A 53 4.904 1.996 -16.001 1.00 0.00 O ATOM 756 CB ASP A 53 2.735 2.556 -18.204 1.00 0.00 C ATOM 757 CG ASP A 53 2.337 3.378 -19.415 1.00 0.00 C ATOM 758 OD1 ASP A 53 2.838 4.513 -19.551 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.524 2.886 -20.225 1.00 0.00 O ATOM 0 H ASP A 53 3.819 0.282 -19.352 1.00 0.00 H new ATOM 0 HA ASP A 53 4.843 2.903 -18.432 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.061 1.705 -18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.616 3.159 -17.304 1.00 0.00 H new ATOM 764 N ASN A 54 4.497 0.022 -17.000 1.00 0.00 N ATOM 765 CA ASN A 54 4.836 -0.768 -15.823 1.00 0.00 C ATOM 766 C ASN A 54 3.893 -0.453 -14.666 1.00 0.00 C ATOM 767 O ASN A 54 4.326 -0.271 -13.528 1.00 0.00 O ATOM 768 CB ASN A 54 6.283 -0.502 -15.403 1.00 0.00 C ATOM 769 CG ASN A 54 6.740 -1.422 -14.287 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.523 -1.141 -13.108 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.378 -2.527 -14.656 1.00 0.00 N ATOM 0 H ASN A 54 4.214 -0.529 -17.811 1.00 0.00 H new ATOM 0 HA ASN A 54 4.727 -1.822 -16.080 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.938 -0.628 -16.265 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.380 0.534 -15.078 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.711 -3.184 -13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.535 -2.719 -15.645 1.00 0.00 H new ATOM 778 N THR A 55 2.599 -0.389 -14.965 1.00 0.00 N ATOM 779 CA THR A 55 1.594 -0.095 -13.951 1.00 0.00 C ATOM 780 C THR A 55 0.456 -1.109 -13.995 1.00 0.00 C ATOM 781 O THR A 55 0.140 -1.658 -15.051 1.00 0.00 O ATOM 782 CB THR A 55 1.012 1.320 -14.130 1.00 0.00 C ATOM 783 OG1 THR A 55 0.526 1.484 -15.467 1.00 0.00 O ATOM 784 CG2 THR A 55 2.064 2.378 -13.834 1.00 0.00 C ATOM 0 H THR A 55 2.223 -0.537 -15.901 1.00 0.00 H new ATOM 0 HA THR A 55 2.094 -0.155 -12.984 1.00 0.00 H new ATOM 0 HB THR A 55 0.188 1.442 -13.427 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.156 2.385 -15.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.631 3.369 -13.967 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.411 2.268 -12.807 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.905 2.255 -14.516 1.00 0.00 H new ATOM 792 N VAL A 56 -0.158 -1.353 -12.841 1.00 0.00 N ATOM 793 CA VAL A 56 -1.263 -2.299 -12.748 1.00 0.00 C ATOM 794 C VAL A 56 -2.551 -1.601 -12.327 1.00 0.00 C ATOM 795 O VAL A 56 -2.529 -0.660 -11.533 1.00 0.00 O ATOM 796 CB VAL A 56 -0.952 -3.428 -11.747 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.162 -4.319 -12.276 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.584 -2.849 -10.390 1.00 0.00 C ATOM 0 H VAL A 56 0.092 -0.908 -11.958 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.395 -2.730 -13.741 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.846 -4.039 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.368 -5.111 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.145 -4.762 -13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.062 -3.724 -12.428 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.367 -3.660 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.296 -2.214 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.416 -2.257 -10.009 1.00 0.00 H new ATOM 808 N THR A 57 -3.674 -2.069 -12.863 1.00 0.00 N ATOM 809 CA THR A 57 -4.972 -1.490 -12.543 1.00 0.00 C ATOM 810 C THR A 57 -5.434 -1.909 -11.152 1.00 0.00 C ATOM 811 O THR A 57 -5.129 -3.009 -10.690 1.00 0.00 O ATOM 812 CB THR A 57 -6.041 -1.905 -13.572 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.530 -1.746 -14.900 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.303 -1.072 -13.406 1.00 0.00 C ATOM 0 H THR A 57 -3.710 -2.848 -13.521 1.00 0.00 H new ATOM 0 HA THR A 57 -4.850 -0.407 -12.572 1.00 0.00 H new ATOM 0 HB THR A 57 -6.291 -2.952 -13.402 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.215 -2.013 -15.548 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.044 -1.383 -14.143 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.706 -1.217 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.065 -0.018 -13.552 1.00 0.00 H new ATOM 822 N VAL A 58 -6.171 -1.025 -10.487 1.00 0.00 N ATOM 823 CA VAL A 58 -6.676 -1.304 -9.148 1.00 0.00 C ATOM 824 C VAL A 58 -8.196 -1.421 -9.147 1.00 0.00 C ATOM 825 O VAL A 58 -8.894 -0.594 -9.735 1.00 0.00 O ATOM 826 CB VAL A 58 -6.256 -0.208 -8.150 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.929 -0.426 -6.803 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.743 -0.177 -8.000 1.00 0.00 C ATOM 0 H VAL A 58 -6.432 -0.110 -10.854 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.241 -2.254 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.580 0.757 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.620 0.358 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.011 -0.394 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.638 -1.398 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.464 0.603 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.394 -1.142 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.286 0.031 -8.967 1.00 0.00 H new ATOM 838 N CYS A 59 -8.705 -2.453 -8.482 1.00 0.00 N ATOM 839 CA CYS A 59 -10.143 -2.679 -8.404 1.00 0.00 C ATOM 840 C CYS A 59 -10.818 -1.600 -7.563 1.00 0.00 C ATOM 841 O CYS A 59 -10.612 -1.522 -6.352 1.00 0.00 O ATOM 842 CB CYS A 59 -10.431 -4.059 -7.810 1.00 0.00 C ATOM 843 SG CYS A 59 -12.139 -4.637 -8.068 1.00 0.00 S ATOM 0 H CYS A 59 -8.142 -3.146 -7.989 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.549 -2.634 -9.415 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.744 -4.782 -8.249 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.225 -4.032 -6.740 1.00 0.00 H new ATOM 848 N MET A 60 -11.626 -0.770 -8.214 1.00 0.00 N ATOM 849 CA MET A 60 -12.334 0.304 -7.526 1.00 0.00 C ATOM 850 C MET A 60 -13.223 -0.253 -6.419 1.00 0.00 C ATOM 851 O MET A 60 -13.159 0.195 -5.274 1.00 0.00 O ATOM 852 CB MET A 60 -13.177 1.106 -8.519 1.00 0.00 C ATOM 853 CG MET A 60 -13.749 2.387 -7.935 1.00 0.00 C ATOM 854 SD MET A 60 -12.613 3.781 -8.073 1.00 0.00 S ATOM 855 CE MET A 60 -11.908 3.807 -6.427 1.00 0.00 C ATOM 0 H MET A 60 -11.807 -0.820 -9.217 1.00 0.00 H new ATOM 0 HA MET A 60 -11.593 0.964 -7.075 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.565 1.353 -9.386 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.996 0.481 -8.875 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.681 2.630 -8.446 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.994 2.225 -6.885 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.902 4.225 -6.469 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.529 4.421 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.863 2.791 -6.034 1.00 0.00 H new ATOM 865 N ASP A 61 -14.051 -1.231 -6.768 1.00 0.00 N ATOM 866 CA ASP A 61 -14.953 -1.849 -5.803 1.00 0.00 C ATOM 867 C ASP A 61 -14.189 -2.322 -4.570 1.00 0.00 C ATOM 868 O ASP A 61 -14.476 -1.900 -3.449 1.00 0.00 O ATOM 869 CB ASP A 61 -15.691 -3.026 -6.443 1.00 0.00 C ATOM 870 CG ASP A 61 -16.750 -2.577 -7.430 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.418 -2.412 -8.622 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.912 -2.390 -7.011 1.00 0.00 O ATOM 0 H ASP A 61 -14.116 -1.613 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.681 -1.099 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.972 -3.668 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.157 -3.627 -5.662 1.00 0.00 H new ATOM 877 N TYR A 62 -13.216 -3.200 -4.785 1.00 0.00 N ATOM 878 CA TYR A 62 -12.412 -3.733 -3.691 1.00 0.00 C ATOM 879 C TYR A 62 -12.065 -2.639 -2.686 1.00 0.00 C ATOM 880 O TYR A 62 -12.216 -2.820 -1.478 1.00 0.00 O ATOM 881 CB TYR A 62 -11.131 -4.368 -4.234 1.00 0.00 C ATOM 882 CG TYR A 62 -10.207 -4.885 -3.154 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.691 -5.665 -2.112 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.848 -4.593 -3.177 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.851 -6.139 -1.124 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.000 -5.064 -2.194 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.506 -5.836 -1.169 1.00 0.00 C ATOM 888 OH TYR A 62 -7.665 -6.307 -0.187 1.00 0.00 O ATOM 0 H TYR A 62 -12.965 -3.558 -5.706 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.000 -4.496 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.396 -5.191 -4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.597 -3.632 -4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.743 -5.905 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.449 -3.988 -3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.245 -6.744 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.946 -4.829 -2.228 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.735 -6.216 -0.482 1.00 0.00 H new ATOM 898 N ILE A 63 -11.600 -1.503 -3.195 1.00 0.00 N ATOM 899 CA ILE A 63 -11.234 -0.378 -2.344 1.00 0.00 C ATOM 900 C ILE A 63 -12.371 -0.013 -1.396 1.00 0.00 C ATOM 901 O ILE A 63 -12.147 0.263 -0.217 1.00 0.00 O ATOM 902 CB ILE A 63 -10.858 0.860 -3.178 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.614 0.575 -4.023 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.625 2.059 -2.271 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.488 -0.065 -3.242 1.00 0.00 C ATOM 0 H ILE A 63 -11.468 -1.338 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.366 -0.691 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.685 1.092 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.889 -0.079 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.259 1.509 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.360 2.926 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.534 2.272 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.813 1.838 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.639 -0.239 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.186 0.597 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.826 -1.015 -2.829 1.00 0.00 H new ATOM 917 N LYS A 64 -13.592 -0.014 -1.918 1.00 0.00 N ATOM 918 CA LYS A 64 -14.767 0.314 -1.119 1.00 0.00 C ATOM 919 C LYS A 64 -14.962 -0.699 0.004 1.00 0.00 C ATOM 920 O LYS A 64 -15.580 -0.399 1.024 1.00 0.00 O ATOM 921 CB LYS A 64 -16.015 0.358 -2.004 1.00 0.00 C ATOM 922 CG LYS A 64 -15.890 1.303 -3.186 1.00 0.00 C ATOM 923 CD LYS A 64 -17.235 1.894 -3.573 1.00 0.00 C ATOM 924 CE LYS A 64 -18.225 0.811 -3.974 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.177 0.530 -5.436 1.00 0.00 N ATOM 0 H LYS A 64 -13.794 -0.239 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.610 1.297 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.224 -0.646 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.869 0.659 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.196 2.107 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.468 0.768 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.637 2.464 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.103 2.592 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.007 -0.103 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.233 1.119 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.091 -0.495 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.049 0.875 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.357 1.013 -5.856 1.00 0.00 H new ATOM 939 N GLY A 65 -14.428 -1.902 -0.191 1.00 0.00 N ATOM 940 CA GLY A 65 -14.554 -2.941 0.814 1.00 0.00 C ATOM 941 C GLY A 65 -15.366 -4.124 0.326 1.00 0.00 C ATOM 942 O GLY A 65 -15.323 -5.202 0.920 1.00 0.00 O ATOM 0 H GLY A 65 -13.911 -2.175 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.561 -3.282 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.023 -2.525 1.705 1.00 0.00 H new ATOM 946 N ARG A 66 -16.109 -3.924 -0.757 1.00 0.00 N ATOM 947 CA ARG A 66 -16.936 -4.983 -1.322 1.00 0.00 C ATOM 948 C ARG A 66 -16.676 -5.137 -2.818 1.00 0.00 C ATOM 949 O ARG A 66 -17.094 -4.301 -3.621 1.00 0.00 O ATOM 950 CB ARG A 66 -18.418 -4.687 -1.079 1.00 0.00 C ATOM 951 CG ARG A 66 -19.262 -5.933 -0.869 1.00 0.00 C ATOM 952 CD ARG A 66 -19.820 -6.456 -2.183 1.00 0.00 C ATOM 953 NE ARG A 66 -20.916 -5.628 -2.680 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.757 -4.656 -3.571 1.00 0.00 C ATOM 955 NH1 ARG A 66 -19.554 -4.392 -4.062 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.803 -3.946 -3.975 1.00 0.00 N ATOM 0 H ARG A 66 -16.155 -3.038 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.673 -5.918 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.512 -4.043 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.813 -4.130 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.658 -6.707 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.083 -5.707 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.024 -6.489 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.171 -7.479 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.855 -5.806 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.747 -4.936 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.435 -3.645 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.731 -4.147 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.679 -3.200 -4.659 1.00 0.00 H new ATOM 970 N CYS A 67 -15.983 -6.209 -3.186 1.00 0.00 N ATOM 971 CA CYS A 67 -15.666 -6.473 -4.584 1.00 0.00 C ATOM 972 C CYS A 67 -16.433 -7.688 -5.096 1.00 0.00 C ATOM 973 O CYS A 67 -16.013 -8.828 -4.898 1.00 0.00 O ATOM 974 CB CYS A 67 -14.162 -6.696 -4.754 1.00 0.00 C ATOM 975 SG CYS A 67 -13.714 -7.637 -6.248 1.00 0.00 S ATOM 0 H CYS A 67 -15.630 -6.910 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.966 -5.604 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.663 -5.727 -4.785 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.782 -7.223 -3.878 1.00 0.00 H new ATOM 980 N MET A 68 -17.559 -7.436 -5.754 1.00 0.00 N ATOM 981 CA MET A 68 -18.384 -8.510 -6.296 1.00 0.00 C ATOM 982 C MET A 68 -18.509 -8.388 -7.812 1.00 0.00 C ATOM 983 O MET A 68 -19.454 -8.903 -8.409 1.00 0.00 O ATOM 984 CB MET A 68 -19.773 -8.488 -5.655 1.00 0.00 C ATOM 985 CG MET A 68 -20.537 -9.792 -5.815 1.00 0.00 C ATOM 986 SD MET A 68 -20.015 -11.052 -4.635 1.00 0.00 S ATOM 987 CE MET A 68 -20.951 -10.567 -3.186 1.00 0.00 C ATOM 0 H MET A 68 -17.922 -6.498 -5.925 1.00 0.00 H new ATOM 0 HA MET A 68 -17.900 -9.459 -6.064 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.671 -8.264 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.355 -7.679 -6.096 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.603 -9.602 -5.690 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.397 -10.169 -6.828 1.00 0.00 H new ATOM 0 HE1 MET A 68 -20.427 -10.894 -2.288 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.059 -9.482 -3.169 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.938 -11.029 -3.219 1.00 0.00 H new ATOM 997 N ARG A 69 -17.550 -7.703 -8.427 1.00 0.00 N ATOM 998 CA ARG A 69 -17.554 -7.512 -9.872 1.00 0.00 C ATOM 999 C ARG A 69 -17.702 -8.847 -10.596 1.00 0.00 C ATOM 1000 O ARG A 69 -16.953 -9.789 -10.339 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.267 -6.817 -10.320 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.368 -5.301 -10.335 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.178 -4.670 -11.041 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.393 -4.558 -12.481 1.00 0.00 N ATOM 1005 CZ ARG A 69 -16.128 -3.605 -13.043 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -16.715 -2.686 -12.289 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.277 -3.570 -14.361 1.00 0.00 N ATOM 0 H ARG A 69 -16.761 -7.271 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.406 -6.883 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.455 -7.112 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.005 -7.165 -11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.289 -5.002 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.425 -4.929 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.992 -3.680 -10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.286 -5.268 -10.853 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.955 -5.250 -13.089 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.603 -2.710 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.279 -1.955 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.827 -4.276 -14.944 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.842 -2.838 -14.791 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.674 -8.920 -11.501 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.920 -10.140 -12.260 1.00 0.00 C ATOM 1023 C GLU A 70 -17.631 -10.659 -12.890 1.00 0.00 C ATOM 1024 O GLU A 70 -17.254 -10.250 -13.988 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.966 -9.887 -13.348 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.078 -11.017 -14.358 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.469 -11.135 -14.950 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -22.425 -10.635 -14.320 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.603 -11.726 -16.041 1.00 0.00 O ATOM 0 H GLU A 70 -19.303 -8.149 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.297 -10.896 -11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.937 -9.733 -12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.716 -8.965 -13.873 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.358 -10.855 -15.160 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.811 -11.958 -13.876 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.957 -11.561 -12.185 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.710 -12.138 -12.673 1.00 0.00 C ATOM 1038 C LYS A 71 -14.569 -11.130 -12.574 1.00 0.00 C ATOM 1039 O LYS A 71 -13.781 -10.976 -13.508 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.871 -12.602 -14.122 1.00 0.00 C ATOM 1041 CG LYS A 71 -14.995 -13.790 -14.482 1.00 0.00 C ATOM 1042 CD LYS A 71 -14.607 -13.772 -15.951 1.00 0.00 C ATOM 1043 CE LYS A 71 -13.552 -12.715 -16.236 1.00 0.00 C ATOM 1044 NZ LYS A 71 -12.995 -12.845 -17.611 1.00 0.00 N ATOM 0 H LYS A 71 -17.254 -11.909 -11.273 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.467 -12.998 -12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.914 -12.865 -14.297 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.635 -11.772 -14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.095 -13.779 -13.867 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.525 -14.715 -14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.229 -14.752 -16.240 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.491 -13.579 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.988 -11.724 -16.113 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.746 -12.801 -15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.279 -12.107 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.556 -13.781 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.760 -12.738 -18.307 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.486 -10.447 -11.437 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.441 -9.454 -11.216 1.00 0.00 C ATOM 1060 C CYS A 72 -12.122 -9.905 -11.838 1.00 0.00 C ATOM 1061 O CYS A 72 -11.682 -11.037 -11.637 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.253 -9.207 -9.718 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.793 -8.197 -9.309 1.00 0.00 S ATOM 0 H CYS A 72 -15.130 -10.563 -10.654 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.749 -8.525 -11.695 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.143 -8.714 -9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.171 -10.168 -9.210 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.496 -9.010 -12.595 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.227 -9.313 -13.247 1.00 0.00 C ATOM 1070 C LYS A 73 -9.232 -8.172 -13.056 1.00 0.00 C ATOM 1071 O LYS A 73 -8.538 -7.778 -13.993 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.445 -9.569 -14.740 1.00 0.00 C ATOM 1073 CG LYS A 73 -11.100 -8.407 -15.467 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.073 -8.607 -16.973 1.00 0.00 C ATOM 1075 CE LYS A 73 -11.167 -7.281 -17.713 1.00 0.00 C ATOM 1076 NZ LYS A 73 -9.874 -6.542 -17.693 1.00 0.00 N ATOM 0 H LYS A 73 -11.847 -8.069 -12.772 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.816 -10.212 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.484 -9.784 -15.207 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.064 -10.458 -14.861 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.132 -8.301 -15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.585 -7.480 -15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.153 -9.119 -17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.901 -9.251 -17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.466 -7.462 -18.745 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.944 -6.666 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.932 -5.723 -18.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.676 -6.214 -16.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.109 -7.172 -18.008 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.167 -7.648 -11.837 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.258 -6.552 -11.524 1.00 0.00 C ATOM 1092 C TYR A 74 -7.365 -6.907 -10.338 1.00 0.00 C ATOM 1093 O TYR A 74 -7.689 -7.791 -9.545 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.047 -5.278 -11.220 1.00 0.00 C ATOM 1095 CG TYR A 74 -10.080 -4.940 -12.270 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -11.229 -5.709 -12.415 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.909 -3.853 -13.118 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -12.176 -5.405 -13.374 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.851 -3.541 -14.079 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.983 -4.320 -14.203 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.923 -4.013 -15.159 1.00 0.00 O ATOM 0 H TYR A 74 -9.733 -7.965 -11.050 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.624 -6.379 -12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.544 -5.390 -10.256 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.352 -4.444 -11.125 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.384 -6.559 -11.767 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.024 -3.241 -13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.062 -6.014 -13.474 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.702 -2.692 -14.730 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.636 -3.220 -15.657 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.240 -6.210 -10.224 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.299 -6.450 -9.136 1.00 0.00 C ATOM 1113 C PHE A 75 -5.861 -5.945 -7.810 1.00 0.00 C ATOM 1114 O PHE A 75 -6.575 -4.943 -7.767 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.962 -5.767 -9.430 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.988 -5.840 -8.289 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.230 -6.981 -8.079 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.831 -4.768 -7.425 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.333 -7.051 -7.030 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.935 -4.832 -6.375 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.186 -5.976 -6.176 1.00 0.00 C ATOM 0 H PHE A 75 -5.957 -5.474 -10.872 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.140 -7.525 -9.057 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.514 -6.228 -10.310 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.144 -4.721 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.342 -7.825 -8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.416 -3.872 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.748 -7.946 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.820 -3.989 -5.710 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.487 -6.029 -5.354 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.532 -6.646 -6.730 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.003 -6.269 -5.402 1.00 0.00 C ATOM 1133 C HIS A 76 -4.829 -5.983 -4.470 1.00 0.00 C ATOM 1134 O HIS A 76 -4.202 -6.892 -3.925 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.877 -7.377 -4.814 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.301 -7.325 -5.276 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.349 -7.843 -4.544 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.849 -6.810 -6.401 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.479 -7.650 -5.201 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.203 -7.025 -6.331 1.00 0.00 N ATOM 0 H HIS A 76 -4.942 -7.478 -6.748 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.597 -5.360 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.452 -8.344 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.854 -7.308 -3.726 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.265 -8.303 -3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.319 -6.321 -7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.462 -7.952 -4.870 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.523 -4.691 -4.282 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.423 -4.255 -3.417 1.00 0.00 C ATOM 1150 C PRO A 77 -3.714 -4.502 -1.940 1.00 0.00 C ATOM 1151 O PRO A 77 -4.855 -4.731 -1.538 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.323 -2.754 -3.698 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.684 -2.364 -4.161 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.228 -3.555 -4.900 1.00 0.00 C ATOM 0 HA PRO A 77 -2.503 -4.803 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.036 -2.202 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.571 -2.543 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.323 -2.103 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.640 -1.489 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.308 -3.641 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.027 -3.491 -5.969 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.660 -4.454 -1.112 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.779 -4.669 0.333 1.00 0.00 C ATOM 1164 C PRO A 78 -3.504 -3.524 1.032 1.00 0.00 C ATOM 1165 O PRO A 78 -3.923 -2.560 0.392 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.323 -4.744 0.801 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.558 -3.972 -0.217 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.272 -4.186 -1.523 1.00 0.00 C ATOM 0 HA PRO A 78 -3.363 -5.559 0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.204 -4.314 1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.978 -5.776 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.525 -2.913 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.474 -4.319 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.206 -3.308 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.849 -5.022 -2.080 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.648 -3.636 2.348 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.320 -2.609 3.134 1.00 0.00 C ATOM 1178 C ALA A 79 -3.535 -1.302 3.115 1.00 0.00 C ATOM 1179 O ALA A 79 -3.991 -0.299 2.565 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.522 -3.086 4.564 1.00 0.00 C ATOM 0 H ALA A 79 -3.308 -4.428 2.893 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.295 -2.423 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.025 -2.309 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.132 -3.989 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.554 -3.302 5.016 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.352 -1.319 3.721 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.503 -0.135 3.775 1.00 0.00 C ATOM 1188 C HIS A 80 -1.607 0.667 2.481 1.00 0.00 C ATOM 1189 O HIS A 80 -1.720 1.894 2.506 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.048 -0.534 4.024 1.00 0.00 C ATOM 1191 CG HIS A 80 0.499 -1.477 2.997 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.339 -2.845 3.069 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.205 -1.242 1.866 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.925 -3.410 2.029 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.458 -2.459 1.283 1.00 0.00 N ATOM 0 H HIS A 80 -1.960 -2.140 4.182 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.847 0.490 4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.568 0.365 4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.030 -0.996 5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.512 -0.277 1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.962 -4.470 1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.974 -2.605 0.415 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.569 -0.032 1.352 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.659 0.615 0.048 1.00 0.00 C ATOM 1205 C LEU A 81 -3.088 1.062 -0.241 1.00 0.00 C ATOM 1206 O LEU A 81 -3.352 2.250 -0.425 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.178 -0.337 -1.049 1.00 0.00 C ATOM 1208 CG LEU A 81 0.326 -0.341 -1.322 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.701 -1.505 -2.226 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.760 0.979 -1.941 1.00 0.00 C ATOM 0 H LEU A 81 -1.476 -1.047 1.313 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.019 1.497 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.481 -1.349 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.694 -0.083 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 81 0.848 -0.462 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.775 -1.492 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.427 -2.443 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.170 -1.415 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.834 0.958 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.231 1.131 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.527 1.795 -1.257 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.007 0.102 -0.277 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.410 0.398 -0.541 1.00 0.00 C ATOM 1224 C GLN A 82 -5.806 1.743 0.059 1.00 0.00 C ATOM 1225 O GLN A 82 -6.618 2.473 -0.509 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.302 -0.708 0.025 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.579 -1.831 -0.962 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.454 -2.921 -0.375 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.656 -2.977 -0.637 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.855 -3.796 0.425 1.00 0.00 N ATOM 0 H GLN A 82 -3.805 -0.886 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.547 0.449 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.829 -1.125 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.249 -0.272 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.063 -1.420 -1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.634 -2.265 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.856 -3.713 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.394 -4.551 0.849 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.226 2.065 1.211 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.517 3.323 1.887 1.00 0.00 C ATOM 1241 C ALA A 83 -4.985 4.510 1.091 1.00 0.00 C ATOM 1242 O ALA A 83 -5.707 5.474 0.835 1.00 0.00 O ATOM 1243 CB ALA A 83 -4.925 3.318 3.289 1.00 0.00 C ATOM 0 H ALA A 83 -4.552 1.472 1.695 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.600 3.425 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.150 4.264 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.356 2.498 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.844 3.189 3.227 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.717 4.434 0.701 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.087 5.502 -0.067 1.00 0.00 C ATOM 1251 C LYS A 84 -4.040 6.045 -1.127 1.00 0.00 C ATOM 1252 O LYS A 84 -3.994 7.227 -1.469 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.806 4.993 -0.731 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.561 5.194 0.116 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.438 4.125 1.190 1.00 0.00 C ATOM 1256 CE LYS A 84 0.460 4.581 2.329 1.00 0.00 C ATOM 1257 NZ LYS A 84 -0.299 5.334 3.366 1.00 0.00 N ATOM 0 H LYS A 84 -3.105 3.644 0.904 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.837 6.310 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.918 3.931 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.673 5.504 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.322 5.173 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.593 6.178 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.427 3.883 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.036 3.212 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.936 3.713 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.257 5.211 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.348 5.628 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.733 6.176 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.043 4.725 3.762 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.902 5.175 -1.642 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.868 5.569 -2.661 1.00 0.00 C ATOM 1273 C ILE A 85 -7.109 6.190 -2.031 1.00 0.00 C ATOM 1274 O ILE A 85 -7.558 7.261 -2.441 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.291 4.369 -3.528 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.068 3.738 -4.197 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.307 4.804 -4.574 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.380 2.699 -3.339 1.00 0.00 C ATOM 0 H ILE A 85 -4.952 4.193 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.377 6.308 -3.293 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.756 3.622 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.375 3.277 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.354 4.523 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.597 3.945 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.188 5.212 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.865 5.567 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.522 2.294 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.043 3.159 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.079 1.894 -3.112 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.660 5.512 -1.030 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.849 5.997 -0.339 1.00 0.00 C ATOM 1292 C LYS A 86 -8.627 7.406 0.202 1.00 0.00 C ATOM 1293 O LYS A 86 -9.505 8.263 0.108 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.221 5.052 0.806 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.167 3.938 0.393 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.512 3.036 1.566 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.414 2.015 1.826 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.513 0.848 0.907 1.00 0.00 N ATOM 0 H LYS A 86 -7.302 4.624 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.669 6.027 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.311 4.612 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.681 5.630 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.081 4.369 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.710 3.346 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.666 3.642 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.451 2.519 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.440 2.490 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.475 1.671 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.239 -0.018 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.492 0.755 0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.878 0.990 0.096 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.447 7.638 0.767 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.108 8.944 1.320 1.00 0.00 C ATOM 1314 C ALA A 87 -7.070 10.009 0.229 1.00 0.00 C ATOM 1315 O ALA A 87 -7.739 11.037 0.329 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.772 8.880 2.044 1.00 0.00 C ATOM 0 H ALA A 87 -6.709 6.939 0.854 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.883 9.221 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.532 9.862 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.832 8.155 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.993 8.577 1.344 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.283 9.756 -0.811 1.00 0.00 N ATOM 1323 CA ALA A 88 -6.160 10.692 -1.921 1.00 0.00 C ATOM 1324 C ALA A 88 -7.531 11.129 -2.427 1.00 0.00 C ATOM 1325 O ALA A 88 -7.782 12.319 -2.614 1.00 0.00 O ATOM 1326 CB ALA A 88 -5.353 10.069 -3.051 1.00 0.00 C ATOM 0 H ALA A 88 -5.721 8.910 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.636 11.577 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.269 10.780 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.357 9.814 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.854 9.166 -3.401 1.00 0.00 H new ATOM 1332 N GLN A 89 -8.412 10.159 -2.645 1.00 0.00 N ATOM 1333 CA GLN A 89 -9.758 10.445 -3.130 1.00 0.00 C ATOM 1334 C GLN A 89 -10.380 11.602 -2.356 1.00 0.00 C ATOM 1335 O GLN A 89 -11.014 12.482 -2.940 1.00 0.00 O ATOM 1336 CB GLN A 89 -10.641 9.202 -3.009 1.00 0.00 C ATOM 1337 CG GLN A 89 -10.359 8.150 -4.070 1.00 0.00 C ATOM 1338 CD GLN A 89 -10.243 8.741 -5.461 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -11.205 8.744 -6.230 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -9.060 9.247 -5.793 1.00 0.00 N ATOM 0 H GLN A 89 -8.219 9.169 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.686 10.730 -4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.498 8.759 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.687 9.502 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.434 7.629 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.156 7.407 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.290 9.224 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.922 9.659 -6.716 1.00 0.00 H new ATOM 1349 N HIS A 90 -10.196 11.595 -1.040 1.00 0.00 N ATOM 1350 CA HIS A 90 -10.740 12.646 -0.186 1.00 0.00 C ATOM 1351 C HIS A 90 -10.367 14.026 -0.719 1.00 0.00 C ATOM 1352 O HIS A 90 -11.239 14.842 -1.017 1.00 0.00 O ATOM 1353 CB HIS A 90 -10.230 12.484 1.246 1.00 0.00 C ATOM 1354 CG HIS A 90 -10.579 11.163 1.861 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -9.760 10.509 2.756 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -11.669 10.375 1.705 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -10.329 9.376 3.124 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -11.489 9.270 2.501 1.00 0.00 N ATOM 0 H HIS A 90 -9.675 10.874 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.826 12.556 -0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.147 12.604 1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.643 13.283 1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.521 10.577 1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.916 8.658 3.817 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.144 8.494 2.596 1.00 0.00 H new ATOM 1366 N GLN A 91 -9.068 14.279 -0.834 1.00 0.00 N ATOM 1367 CA GLN A 91 -8.581 15.561 -1.329 1.00 0.00 C ATOM 1368 C GLN A 91 -7.665 15.368 -2.533 1.00 0.00 C ATOM 1369 O GLN A 91 -8.029 15.696 -3.661 1.00 0.00 O ATOM 1370 CB GLN A 91 -7.837 16.310 -0.222 1.00 0.00 C ATOM 1371 CG GLN A 91 -8.756 17.055 0.733 1.00 0.00 C ATOM 1372 CD GLN A 91 -9.701 17.998 0.016 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -9.366 18.556 -1.029 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -10.891 18.182 0.576 1.00 0.00 N ATOM 0 H GLN A 91 -8.334 13.614 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 91 -9.442 16.151 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.236 15.599 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.146 17.020 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.336 16.334 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.154 17.621 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.127 17.699 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.569 18.806 0.139 1.00 0.00 H new ATOM 1383 N ALA A 92 -6.473 14.834 -2.284 1.00 0.00 N ATOM 1384 CA ALA A 92 -5.506 14.596 -3.347 1.00 0.00 C ATOM 1385 C ALA A 92 -6.169 13.948 -4.558 1.00 0.00 C ATOM 1386 O ALA A 92 -6.414 12.742 -4.572 1.00 0.00 O ATOM 1387 CB ALA A 92 -4.366 13.726 -2.839 1.00 0.00 C ATOM 0 H ALA A 92 -6.155 14.558 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.102 15.559 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.651 13.556 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.867 14.228 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.762 12.769 -2.498 1.00 0.00 H new ATOM 1393 N ASN A 93 -6.458 14.756 -5.572 1.00 0.00 N ATOM 1394 CA ASN A 93 -7.095 14.261 -6.787 1.00 0.00 C ATOM 1395 C ASN A 93 -6.062 14.027 -7.886 1.00 0.00 C ATOM 1396 O ASN A 93 -5.085 14.766 -8.000 1.00 0.00 O ATOM 1397 CB ASN A 93 -8.156 15.250 -7.272 1.00 0.00 C ATOM 1398 CG ASN A 93 -7.567 16.601 -7.630 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -7.472 17.492 -6.786 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -7.169 16.758 -8.887 1.00 0.00 N ATOM 0 H ASN A 93 -6.261 15.757 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.574 13.310 -6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.664 14.836 -8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.910 15.380 -6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.765 17.645 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.267 15.991 -9.553 1.00 0.00 H new ATOM 1407 N GLN A 94 -6.288 12.995 -8.692 1.00 0.00 N ATOM 1408 CA GLN A 94 -5.377 12.664 -9.782 1.00 0.00 C ATOM 1409 C GLN A 94 -6.103 12.683 -11.123 1.00 0.00 C ATOM 1410 O GLN A 94 -6.810 11.738 -11.470 1.00 0.00 O ATOM 1411 CB GLN A 94 -4.747 11.290 -9.549 1.00 0.00 C ATOM 1412 CG GLN A 94 -3.486 11.052 -10.365 1.00 0.00 C ATOM 1413 CD GLN A 94 -2.575 10.013 -9.741 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -2.811 8.811 -9.862 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -1.526 10.473 -9.070 1.00 0.00 N ATOM 0 H GLN A 94 -7.093 12.374 -8.611 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.590 13.417 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.510 11.183 -8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.478 10.519 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.763 10.731 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.942 11.991 -10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.369 11.478 -8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.877 9.821 -8.629 1.00 0.00 H new ATOM 1424 N ALA A 95 -5.923 13.766 -11.873 1.00 0.00 N ATOM 1425 CA ALA A 95 -6.560 13.907 -13.176 1.00 0.00 C ATOM 1426 C ALA A 95 -5.629 13.448 -14.294 1.00 0.00 C ATOM 1427 O ALA A 95 -5.546 14.082 -15.345 1.00 0.00 O ATOM 1428 CB ALA A 95 -6.987 15.349 -13.402 1.00 0.00 C ATOM 0 H ALA A 95 -5.341 14.558 -11.600 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.445 13.271 -13.191 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.461 15.439 -14.379 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.694 15.645 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.112 15.998 -13.362 1.00 0.00 H new ATOM 1434 N ALA A 96 -4.930 12.342 -14.059 1.00 0.00 N ATOM 1435 CA ALA A 96 -4.007 11.798 -15.047 1.00 0.00 C ATOM 1436 C ALA A 96 -4.751 11.002 -16.114 1.00 0.00 C ATOM 1437 O ALA A 96 -4.869 9.780 -16.022 1.00 0.00 O ATOM 1438 CB ALA A 96 -2.962 10.925 -14.368 1.00 0.00 C ATOM 0 H ALA A 96 -4.986 11.806 -13.193 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.505 12.632 -15.537 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.279 10.525 -15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.402 11.522 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.456 10.102 -13.851 1.00 0.00 H new ATOM 1444 N VAL A 97 -5.252 11.702 -17.126 1.00 0.00 N ATOM 1445 CA VAL A 97 -5.984 11.061 -18.212 1.00 0.00 C ATOM 1446 C VAL A 97 -5.062 10.193 -19.060 1.00 0.00 C ATOM 1447 O VAL A 97 -3.998 10.638 -19.491 1.00 0.00 O ATOM 1448 CB VAL A 97 -6.670 12.101 -19.118 1.00 0.00 C ATOM 1449 CG1 VAL A 97 -7.387 11.415 -20.270 1.00 0.00 C ATOM 1450 CG2 VAL A 97 -7.636 12.955 -18.311 1.00 0.00 C ATOM 0 H VAL A 97 -5.164 12.714 -17.217 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.746 10.433 -17.751 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.905 12.755 -19.536 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.866 12.165 -20.899 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.667 10.851 -20.862 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.143 10.736 -19.875 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.112 13.684 -18.967 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.399 12.318 -17.863 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.091 13.476 -17.524 1.00 0.00 H new ATOM 1460 N ALA A 98 -5.476 8.953 -19.296 1.00 0.00 N ATOM 1461 CA ALA A 98 -4.688 8.023 -20.096 1.00 0.00 C ATOM 1462 C ALA A 98 -5.521 6.817 -20.515 1.00 0.00 C ATOM 1463 O ALA A 98 -6.510 6.509 -19.852 1.00 0.00 O ATOM 1464 CB ALA A 98 -3.457 7.574 -19.322 1.00 0.00 C ATOM 0 H ALA A 98 -6.353 8.569 -18.945 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.367 8.541 -21.000 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.878 6.880 -19.931 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.844 8.442 -19.078 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.767 7.078 -18.402 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.181 -3.464 -4.148 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.921 -6.890 -7.433 1.00 0.00 ZN