USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -170:sc= 0.595 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -153:sc= 3.02 (180deg=1.94) USER MOD Set 2.1: A 27 SER OG : rot -130:sc= 0.0715 USER MOD Set 2.2: A 104 SER OG : rot -119:sc= 0.0738 USER MOD Set 3.1: A 4 SER OG : rot -164:sc= 0.636 USER MOD Set 3.2: A 7 LYS NZ :NH3+ 177:sc= 1.89 (180deg=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -55:sc= 0.461 USER MOD Single : A 9 TYR OH : rot -145:sc= 0.779 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 3.34 (180deg=3.07) USER MOD Single : A 16 SER OG : rot -179:sc= 0.591 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.22) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 35 MET CE :methyl -126:sc= 0 (180deg=-0.177) USER MOD Single : A 38 MET CE :methyl 150:sc= -1.15 (180deg=-2.69!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 130:sc= 0.319 USER MOD Single : A 43 MET CE :methyl 152:sc= -0.16 (180deg=-0.888) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.82 (180deg=1.78) USER MOD Single : A 50 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.29) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.44 USER MOD Single : A 66 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.067) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.02 K(o=1,f=-0.29) USER MOD Single : A 83 GLN : amide:sc= 0.709 K(o=0.71,f=-0.033) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= 1.27 (180deg=0.908) USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.04) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 63:sc= 1.27 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.688 K(o=0.69,f=-0.046) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.311 -2.239 26.021 1.00 0.00 N ATOM 2 CA MET A 1 -0.382 -2.320 24.862 1.00 0.00 C ATOM 3 C MET A 1 -0.494 -1.060 23.998 1.00 0.00 C ATOM 4 O MET A 1 -1.602 -0.653 23.643 1.00 0.00 O ATOM 5 CB MET A 1 -0.626 -3.603 24.037 1.00 0.00 C ATOM 6 CG MET A 1 0.284 -3.732 22.806 1.00 0.00 C ATOM 7 SD MET A 1 2.071 -3.576 23.104 1.00 0.00 S ATOM 8 CE MET A 1 2.403 -5.140 23.963 1.00 0.00 C ATOM 0 H1 MET A 1 -1.223 -3.100 26.597 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.072 -1.409 26.600 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.288 -2.151 25.677 1.00 0.00 H new ATOM 0 HA MET A 1 0.638 -2.375 25.242 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.477 -4.471 24.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.666 -3.622 23.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.098 -4.701 22.343 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.010 -2.972 22.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.462 -5.199 24.216 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.809 -5.187 24.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.138 -5.975 23.314 1.00 0.00 H new ATOM 20 N ALA A 2 0.643 -0.442 23.653 1.00 0.00 N ATOM 21 CA ALA A 2 0.712 0.779 22.835 1.00 0.00 C ATOM 22 C ALA A 2 0.945 0.520 21.327 1.00 0.00 C ATOM 23 O ALA A 2 0.679 1.397 20.502 1.00 0.00 O ATOM 24 CB ALA A 2 1.813 1.671 23.426 1.00 0.00 C ATOM 0 H ALA A 2 1.561 -0.783 23.940 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.260 1.272 22.875 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.891 2.588 22.842 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.566 1.919 24.458 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.765 1.141 23.398 1.00 0.00 H new ATOM 30 N GLU A 3 1.435 -0.667 20.953 1.00 0.00 N ATOM 31 CA GLU A 3 1.726 -1.065 19.564 1.00 0.00 C ATOM 32 C GLU A 3 0.551 -1.817 18.901 1.00 0.00 C ATOM 33 O GLU A 3 -0.381 -2.266 19.575 1.00 0.00 O ATOM 34 CB GLU A 3 3.025 -1.893 19.519 1.00 0.00 C ATOM 35 CG GLU A 3 4.244 -1.091 20.001 1.00 0.00 C ATOM 36 CD GLU A 3 5.549 -1.888 19.812 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.166 -1.797 18.722 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.978 -2.596 20.755 1.00 0.00 O ATOM 0 H GLU A 3 1.648 -1.403 21.627 1.00 0.00 H new ATOM 0 HA GLU A 3 1.865 -0.155 18.980 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.909 -2.781 20.140 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.199 -2.237 18.499 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.306 -0.153 19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.121 -0.835 21.053 1.00 0.00 H new ATOM 45 N SER A 4 0.594 -1.965 17.570 1.00 0.00 N ATOM 46 CA SER A 4 -0.427 -2.661 16.770 1.00 0.00 C ATOM 47 C SER A 4 0.193 -3.506 15.652 1.00 0.00 C ATOM 48 O SER A 4 1.050 -3.035 14.900 1.00 0.00 O ATOM 49 CB SER A 4 -1.421 -1.644 16.191 1.00 0.00 C ATOM 50 OG SER A 4 -2.203 -2.207 15.143 1.00 0.00 O ATOM 0 H SER A 4 1.358 -1.595 17.004 1.00 0.00 H new ATOM 0 HA SER A 4 -0.957 -3.347 17.431 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.079 -1.287 16.984 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.877 -0.778 15.814 1.00 0.00 H new ATOM 0 HG SER A 4 -2.633 -1.489 14.634 1.00 0.00 H new ATOM 56 N SER A 5 -0.313 -4.732 15.503 1.00 0.00 N ATOM 57 CA SER A 5 -0.071 -5.654 14.377 1.00 0.00 C ATOM 58 C SER A 5 -1.379 -6.120 13.735 1.00 0.00 C ATOM 59 O SER A 5 -1.426 -7.135 13.037 1.00 0.00 O ATOM 60 CB SER A 5 0.782 -6.844 14.831 1.00 0.00 C ATOM 61 OG SER A 5 2.101 -6.441 15.156 1.00 0.00 O ATOM 0 H SER A 5 -0.938 -5.136 16.200 1.00 0.00 H new ATOM 0 HA SER A 5 0.482 -5.109 13.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.320 -7.315 15.699 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.813 -7.594 14.040 1.00 0.00 H new ATOM 0 HG SER A 5 2.496 -5.969 14.393 1.00 0.00 H new ATOM 67 N ASP A 6 -2.465 -5.390 13.987 1.00 0.00 N ATOM 68 CA ASP A 6 -3.826 -5.929 13.961 1.00 0.00 C ATOM 69 C ASP A 6 -4.577 -5.645 12.641 1.00 0.00 C ATOM 70 O ASP A 6 -5.787 -5.400 12.614 1.00 0.00 O ATOM 71 CB ASP A 6 -4.562 -5.474 15.235 1.00 0.00 C ATOM 72 CG ASP A 6 -3.876 -6.000 16.511 1.00 0.00 C ATOM 73 OD1 ASP A 6 -2.845 -5.423 16.936 1.00 0.00 O ATOM 74 OD2 ASP A 6 -4.366 -7.003 17.086 1.00 0.00 O ATOM 0 H ASP A 6 -2.425 -4.397 14.217 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.782 -7.018 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.598 -4.385 15.264 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.593 -5.827 15.205 1.00 0.00 H new ATOM 79 N LYS A 7 -3.827 -5.663 11.533 1.00 0.00 N ATOM 80 CA LYS A 7 -4.237 -5.401 10.148 1.00 0.00 C ATOM 81 C LYS A 7 -3.596 -6.432 9.214 1.00 0.00 C ATOM 82 O LYS A 7 -2.784 -7.256 9.641 1.00 0.00 O ATOM 83 CB LYS A 7 -3.902 -3.944 9.769 1.00 0.00 C ATOM 84 CG LYS A 7 -2.437 -3.579 10.038 1.00 0.00 C ATOM 85 CD LYS A 7 -2.272 -2.784 11.334 1.00 0.00 C ATOM 86 CE LYS A 7 -0.785 -2.617 11.662 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.580 -1.614 12.733 1.00 0.00 N ATOM 0 H LYS A 7 -2.832 -5.880 11.587 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.316 -5.511 10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.122 -3.789 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.548 -3.270 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.841 -4.490 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.050 -2.995 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.742 -1.806 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.778 -3.297 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.369 -3.575 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.245 -2.311 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.431 -1.560 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.910 -0.684 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.118 -1.894 13.578 1.00 0.00 H new ATOM 101 N LEU A 8 -3.939 -6.362 7.934 1.00 0.00 N ATOM 102 CA LEU A 8 -3.331 -7.143 6.856 1.00 0.00 C ATOM 103 C LEU A 8 -2.485 -6.269 5.937 1.00 0.00 C ATOM 104 O LEU A 8 -1.596 -6.781 5.260 1.00 0.00 O ATOM 105 CB LEU A 8 -4.452 -7.768 6.011 1.00 0.00 C ATOM 106 CG LEU A 8 -5.480 -8.632 6.755 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.589 -8.996 5.773 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.839 -9.896 7.322 1.00 0.00 C ATOM 0 H LEU A 8 -4.675 -5.738 7.603 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.692 -7.902 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.986 -6.963 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.992 -8.380 5.235 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.884 -8.071 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.334 -9.611 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.060 -8.086 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.166 -9.552 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.594 -10.485 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.416 -10.486 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.048 -9.621 8.020 1.00 0.00 H new ATOM 120 N TYR A 9 -2.766 -4.965 5.899 1.00 0.00 N ATOM 121 CA TYR A 9 -2.355 -4.074 4.827 1.00 0.00 C ATOM 122 C TYR A 9 -1.882 -2.737 5.402 1.00 0.00 C ATOM 123 O TYR A 9 -2.303 -2.300 6.477 1.00 0.00 O ATOM 124 CB TYR A 9 -3.521 -3.877 3.839 1.00 0.00 C ATOM 125 CG TYR A 9 -4.194 -5.135 3.316 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.427 -6.211 2.835 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.599 -5.234 3.326 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.049 -7.396 2.400 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.230 -6.416 2.893 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.454 -7.500 2.426 1.00 0.00 C ATOM 131 OH TYR A 9 -6.055 -8.638 1.988 1.00 0.00 O ATOM 0 H TYR A 9 -3.298 -4.495 6.632 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.519 -4.518 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.279 -3.263 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.151 -3.309 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.351 -6.127 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.195 -4.400 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.451 -8.223 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.307 -6.494 2.918 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.900 -8.412 1.547 1.00 0.00 H new ATOM 141 N ARG A 10 -0.996 -2.081 4.663 1.00 0.00 N ATOM 142 CA ARG A 10 -0.333 -0.830 5.029 1.00 0.00 C ATOM 143 C ARG A 10 -0.211 0.053 3.788 1.00 0.00 C ATOM 144 O ARG A 10 -0.062 -0.460 2.684 1.00 0.00 O ATOM 145 CB ARG A 10 1.017 -1.187 5.684 1.00 0.00 C ATOM 146 CG ARG A 10 2.058 -0.066 5.857 1.00 0.00 C ATOM 147 CD ARG A 10 1.592 1.062 6.787 1.00 0.00 C ATOM 148 NE ARG A 10 2.719 1.766 7.434 1.00 0.00 N ATOM 149 CZ ARG A 10 2.811 3.067 7.664 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.004 3.934 7.136 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.732 3.547 8.446 1.00 0.00 N ATOM 0 H ARG A 10 -0.704 -2.421 3.747 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.904 -0.251 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.810 -1.604 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.475 -1.979 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.980 -0.494 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.294 0.354 4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.001 1.778 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.938 0.648 7.555 1.00 0.00 H new ATOM 0 HE ARG A 10 3.506 1.191 7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.258 3.623 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.115 4.926 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.399 2.919 8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.788 4.552 8.611 1.00 0.00 H new ATOM 165 N VAL A 11 -0.282 1.365 3.951 1.00 0.00 N ATOM 166 CA VAL A 11 0.011 2.366 2.914 1.00 0.00 C ATOM 167 C VAL A 11 0.766 3.552 3.517 1.00 0.00 C ATOM 168 O VAL A 11 0.579 3.869 4.693 1.00 0.00 O ATOM 169 CB VAL A 11 -1.306 2.781 2.233 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.181 3.678 3.111 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.093 3.516 0.904 1.00 0.00 C ATOM 0 H VAL A 11 -0.555 1.787 4.839 1.00 0.00 H new ATOM 0 HA VAL A 11 0.663 1.943 2.150 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.810 1.831 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.094 3.935 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.437 3.150 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.636 4.589 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.060 3.781 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.513 4.422 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.555 2.868 0.212 1.00 0.00 H new ATOM 181 N GLU A 12 1.618 4.217 2.739 1.00 0.00 N ATOM 182 CA GLU A 12 2.143 5.546 3.077 1.00 0.00 C ATOM 183 C GLU A 12 2.504 6.370 1.833 1.00 0.00 C ATOM 184 O GLU A 12 2.806 5.822 0.769 1.00 0.00 O ATOM 185 CB GLU A 12 3.357 5.464 4.034 1.00 0.00 C ATOM 186 CG GLU A 12 4.679 4.982 3.410 1.00 0.00 C ATOM 187 CD GLU A 12 5.927 5.262 4.271 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.807 5.706 5.439 1.00 0.00 O ATOM 189 OE2 GLU A 12 7.051 5.085 3.744 1.00 0.00 O ATOM 0 H GLU A 12 1.967 3.851 1.853 1.00 0.00 H new ATOM 0 HA GLU A 12 1.333 6.061 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.521 6.451 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.102 4.795 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.611 3.910 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.806 5.463 2.440 1.00 0.00 H new ATOM 196 N TYR A 13 2.584 7.693 2.007 1.00 0.00 N ATOM 197 CA TYR A 13 3.487 8.521 1.204 1.00 0.00 C ATOM 198 C TYR A 13 4.934 8.242 1.644 1.00 0.00 C ATOM 199 O TYR A 13 5.256 8.305 2.835 1.00 0.00 O ATOM 200 CB TYR A 13 3.130 10.009 1.340 1.00 0.00 C ATOM 201 CG TYR A 13 2.105 10.504 0.333 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.799 9.972 0.313 1.00 0.00 C ATOM 203 CD2 TYR A 13 2.467 11.501 -0.597 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.142 10.439 -0.627 1.00 0.00 C ATOM 205 CE2 TYR A 13 1.529 11.970 -1.537 1.00 0.00 C ATOM 206 CZ TYR A 13 0.222 11.439 -1.552 1.00 0.00 C ATOM 207 OH TYR A 13 -0.690 11.886 -2.452 1.00 0.00 O ATOM 0 H TYR A 13 2.036 8.211 2.694 1.00 0.00 H new ATOM 0 HA TYR A 13 3.382 8.267 0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.749 10.188 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.040 10.600 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.519 9.205 1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.468 11.906 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.142 10.031 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.810 12.735 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.282 12.575 -3.017 1.00 0.00 H new ATOM 217 N ALA A 14 5.792 7.901 0.688 1.00 0.00 N ATOM 218 CA ALA A 14 7.135 7.371 0.904 1.00 0.00 C ATOM 219 C ALA A 14 8.112 8.418 1.471 1.00 0.00 C ATOM 220 O ALA A 14 8.357 9.454 0.846 1.00 0.00 O ATOM 221 CB ALA A 14 7.611 6.807 -0.439 1.00 0.00 C ATOM 0 H ALA A 14 5.561 7.990 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 14 7.106 6.590 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.615 6.398 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.932 6.018 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.625 7.603 -1.183 1.00 0.00 H new ATOM 227 N LYS A 15 8.706 8.125 2.638 1.00 0.00 N ATOM 228 CA LYS A 15 9.584 9.055 3.385 1.00 0.00 C ATOM 229 C LYS A 15 11.006 9.154 2.819 1.00 0.00 C ATOM 230 O LYS A 15 11.594 10.234 2.789 1.00 0.00 O ATOM 231 CB LYS A 15 9.649 8.636 4.868 1.00 0.00 C ATOM 232 CG LYS A 15 8.289 8.445 5.557 1.00 0.00 C ATOM 233 CD LYS A 15 7.376 9.675 5.447 1.00 0.00 C ATOM 234 CE LYS A 15 6.075 9.490 6.231 1.00 0.00 C ATOM 235 NZ LYS A 15 5.230 8.408 5.670 1.00 0.00 N ATOM 0 H LYS A 15 8.592 7.223 3.101 1.00 0.00 H new ATOM 0 HA LYS A 15 9.138 10.044 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.209 7.703 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.213 9.390 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.784 7.585 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.452 8.215 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.903 10.553 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.145 9.863 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.309 9.263 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.515 10.425 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.260 8.502 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.221 8.477 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.616 7.484 5.952 1.00 0.00 H new ATOM 249 N SER A 16 11.559 8.019 2.389 1.00 0.00 N ATOM 250 CA SER A 16 12.938 7.840 1.909 1.00 0.00 C ATOM 251 C SER A 16 13.009 6.613 0.989 1.00 0.00 C ATOM 252 O SER A 16 12.222 5.673 1.144 1.00 0.00 O ATOM 253 CB SER A 16 13.889 7.698 3.102 1.00 0.00 C ATOM 254 OG SER A 16 15.239 7.827 2.681 1.00 0.00 O ATOM 0 H SER A 16 11.030 7.148 2.363 1.00 0.00 H new ATOM 0 HA SER A 16 13.245 8.714 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.661 8.458 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.742 6.729 3.579 1.00 0.00 H new ATOM 0 HG SER A 16 15.834 7.720 3.452 1.00 0.00 H new ATOM 260 N GLY A 17 13.924 6.605 0.017 1.00 0.00 N ATOM 261 CA GLY A 17 14.016 5.602 -1.061 1.00 0.00 C ATOM 262 C GLY A 17 14.644 4.259 -0.656 1.00 0.00 C ATOM 263 O GLY A 17 15.508 3.750 -1.372 1.00 0.00 O ATOM 0 H GLY A 17 14.649 7.319 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.014 5.414 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.599 6.025 -1.880 1.00 0.00 H new ATOM 267 N ARG A 18 14.278 3.726 0.521 1.00 0.00 N ATOM 268 CA ARG A 18 14.946 2.582 1.185 1.00 0.00 C ATOM 269 C ARG A 18 14.126 1.284 1.198 1.00 0.00 C ATOM 270 O ARG A 18 14.681 0.222 1.480 1.00 0.00 O ATOM 271 CB ARG A 18 15.363 2.970 2.622 1.00 0.00 C ATOM 272 CG ARG A 18 15.978 4.372 2.779 1.00 0.00 C ATOM 273 CD ARG A 18 17.217 4.627 1.912 1.00 0.00 C ATOM 274 NE ARG A 18 17.466 6.076 1.785 1.00 0.00 N ATOM 275 CZ ARG A 18 18.520 6.666 1.255 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.530 5.993 0.779 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.572 7.965 1.191 1.00 0.00 N ATOM 0 H ARG A 18 13.488 4.085 1.056 1.00 0.00 H new ATOM 0 HA ARG A 18 15.827 2.363 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.486 2.903 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 18 16.082 2.235 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.220 5.116 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.246 4.522 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.085 4.140 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.074 4.188 0.925 1.00 0.00 H new ATOM 0 HE ARG A 18 16.739 6.692 2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.523 4.973 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.327 6.486 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.799 8.525 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.386 8.423 0.782 1.00 0.00 H new ATOM 291 N ALA A 19 12.825 1.355 0.904 1.00 0.00 N ATOM 292 CA ALA A 19 11.944 0.191 0.808 1.00 0.00 C ATOM 293 C ALA A 19 12.060 -0.478 -0.576 1.00 0.00 C ATOM 294 O ALA A 19 12.121 0.209 -1.597 1.00 0.00 O ATOM 295 CB ALA A 19 10.507 0.618 1.130 1.00 0.00 C ATOM 0 H ALA A 19 12.348 2.238 0.723 1.00 0.00 H new ATOM 0 HA ALA A 19 12.249 -0.560 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.846 -0.246 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.466 1.025 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.186 1.379 0.419 1.00 0.00 H new ATOM 301 N SER A 20 12.047 -1.811 -0.609 1.00 0.00 N ATOM 302 CA SER A 20 12.244 -2.614 -1.829 1.00 0.00 C ATOM 303 C SER A 20 10.976 -3.382 -2.187 1.00 0.00 C ATOM 304 O SER A 20 10.310 -3.913 -1.296 1.00 0.00 O ATOM 305 CB SER A 20 13.411 -3.594 -1.673 1.00 0.00 C ATOM 306 OG SER A 20 14.622 -2.905 -1.399 1.00 0.00 O ATOM 0 H SER A 20 11.897 -2.379 0.225 1.00 0.00 H new ATOM 0 HA SER A 20 12.480 -1.920 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.197 -4.295 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.521 -4.182 -2.584 1.00 0.00 H new ATOM 0 HG SER A 20 15.352 -3.552 -1.302 1.00 0.00 H new ATOM 312 N CYS A 21 10.656 -3.459 -3.482 1.00 0.00 N ATOM 313 CA CYS A 21 9.452 -4.121 -3.978 1.00 0.00 C ATOM 314 C CYS A 21 9.513 -5.647 -3.804 1.00 0.00 C ATOM 315 O CYS A 21 10.559 -6.279 -3.987 1.00 0.00 O ATOM 316 CB CYS A 21 9.239 -3.704 -5.431 1.00 0.00 C ATOM 317 SG CYS A 21 7.604 -4.235 -6.070 1.00 0.00 S ATOM 0 H CYS A 21 11.234 -3.058 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 21 8.593 -3.805 -3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.325 -2.620 -5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 21 10.026 -4.134 -6.050 1.00 0.00 H new ATOM 322 N LYS A 22 8.365 -6.233 -3.459 1.00 0.00 N ATOM 323 CA LYS A 22 8.195 -7.665 -3.147 1.00 0.00 C ATOM 324 C LYS A 22 7.467 -8.440 -4.257 1.00 0.00 C ATOM 325 O LYS A 22 7.222 -9.639 -4.114 1.00 0.00 O ATOM 326 CB LYS A 22 7.498 -7.780 -1.777 1.00 0.00 C ATOM 327 CG LYS A 22 8.269 -7.108 -0.641 1.00 0.00 C ATOM 328 CD LYS A 22 9.367 -8.014 -0.087 1.00 0.00 C ATOM 329 CE LYS A 22 10.147 -7.267 0.996 1.00 0.00 C ATOM 330 NZ LYS A 22 11.219 -8.116 1.580 1.00 0.00 N ATOM 0 H LYS A 22 7.493 -5.710 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 22 9.175 -8.139 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.506 -7.334 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.358 -8.834 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.711 -6.179 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.579 -6.842 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.929 -8.923 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.039 -8.320 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.587 -6.364 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.464 -6.949 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.728 -7.579 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.796 -8.965 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.884 -8.399 0.832 1.00 0.00 H new ATOM 344 N LYS A 23 7.148 -7.757 -5.364 1.00 0.00 N ATOM 345 CA LYS A 23 6.482 -8.305 -6.565 1.00 0.00 C ATOM 346 C LYS A 23 7.317 -8.126 -7.836 1.00 0.00 C ATOM 347 O LYS A 23 7.510 -9.109 -8.554 1.00 0.00 O ATOM 348 CB LYS A 23 5.079 -7.683 -6.688 1.00 0.00 C ATOM 349 CG LYS A 23 4.268 -8.053 -7.939 1.00 0.00 C ATOM 350 CD LYS A 23 4.072 -9.565 -8.133 1.00 0.00 C ATOM 351 CE LYS A 23 3.073 -9.818 -9.267 1.00 0.00 C ATOM 352 NZ LYS A 23 2.886 -11.270 -9.526 1.00 0.00 N ATOM 0 H LYS A 23 7.354 -6.762 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 23 6.380 -9.384 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.501 -7.971 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.184 -6.598 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.290 -7.575 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.769 -7.646 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.026 -10.038 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.709 -10.015 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.113 -9.368 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.424 -9.329 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.203 -11.400 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.797 -11.695 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.527 -11.733 -8.666 1.00 0.00 H new ATOM 366 N CYS A 24 7.831 -6.917 -8.101 1.00 0.00 N ATOM 367 CA CYS A 24 8.658 -6.628 -9.281 1.00 0.00 C ATOM 368 C CYS A 24 10.168 -6.453 -8.970 1.00 0.00 C ATOM 369 O CYS A 24 10.990 -6.319 -9.882 1.00 0.00 O ATOM 370 CB CYS A 24 7.984 -5.529 -10.122 1.00 0.00 C ATOM 371 SG CYS A 24 8.422 -3.820 -9.620 1.00 0.00 S ATOM 0 H CYS A 24 7.684 -6.107 -7.499 1.00 0.00 H new ATOM 0 HA CYS A 24 8.696 -7.510 -9.921 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.257 -5.669 -11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.903 -5.649 -10.056 1.00 0.00 H new ATOM 376 N SER A 25 10.540 -6.561 -7.687 1.00 0.00 N ATOM 377 CA SER A 25 11.919 -6.659 -7.166 1.00 0.00 C ATOM 378 C SER A 25 12.836 -5.445 -7.420 1.00 0.00 C ATOM 379 O SER A 25 14.054 -5.535 -7.247 1.00 0.00 O ATOM 380 CB SER A 25 12.578 -7.985 -7.583 1.00 0.00 C ATOM 381 OG SER A 25 11.769 -9.096 -7.214 1.00 0.00 O ATOM 0 H SER A 25 9.849 -6.584 -6.937 1.00 0.00 H new ATOM 0 HA SER A 25 11.796 -6.647 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.740 -7.991 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.557 -8.072 -7.113 1.00 0.00 H new ATOM 0 HG SER A 25 12.208 -9.927 -7.491 1.00 0.00 H new ATOM 387 N GLU A 26 12.263 -4.295 -7.787 1.00 0.00 N ATOM 388 CA GLU A 26 12.950 -2.993 -7.859 1.00 0.00 C ATOM 389 C GLU A 26 12.884 -2.268 -6.492 1.00 0.00 C ATOM 390 O GLU A 26 12.591 -2.886 -5.467 1.00 0.00 O ATOM 391 CB GLU A 26 12.343 -2.168 -9.013 1.00 0.00 C ATOM 392 CG GLU A 26 12.516 -2.802 -10.399 1.00 0.00 C ATOM 393 CD GLU A 26 13.988 -2.818 -10.858 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.487 -1.773 -11.341 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.656 -3.875 -10.755 1.00 0.00 O ATOM 0 H GLU A 26 11.279 -4.238 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 26 14.009 -3.133 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.280 -2.025 -8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.802 -1.179 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.133 -3.822 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.918 -2.251 -11.125 1.00 0.00 H new ATOM 402 N SER A 27 13.153 -0.961 -6.444 1.00 0.00 N ATOM 403 CA SER A 27 13.098 -0.139 -5.229 1.00 0.00 C ATOM 404 C SER A 27 12.063 0.972 -5.345 1.00 0.00 C ATOM 405 O SER A 27 11.652 1.360 -6.446 1.00 0.00 O ATOM 406 CB SER A 27 14.483 0.398 -4.899 1.00 0.00 C ATOM 407 OG SER A 27 14.516 0.957 -3.602 1.00 0.00 O ATOM 0 H SER A 27 13.423 -0.429 -7.271 1.00 0.00 H new ATOM 0 HA SER A 27 12.775 -0.769 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.215 -0.407 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.768 1.154 -5.631 1.00 0.00 H new ATOM 0 HG SER A 27 14.919 1.850 -3.641 1.00 0.00 H new ATOM 413 N ILE A 28 11.573 1.434 -4.197 1.00 0.00 N ATOM 414 CA ILE A 28 10.381 2.273 -4.093 1.00 0.00 C ATOM 415 C ILE A 28 10.791 3.705 -3.688 1.00 0.00 C ATOM 416 O ILE A 28 11.146 3.918 -2.523 1.00 0.00 O ATOM 417 CB ILE A 28 9.376 1.637 -3.103 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.086 0.135 -3.368 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.061 2.434 -3.164 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.445 -0.574 -2.169 1.00 0.00 C ATOM 0 H ILE A 28 12.002 1.231 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 28 9.879 2.340 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 28 9.832 1.682 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.426 0.045 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.018 -0.369 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.340 1.999 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.251 3.471 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.660 2.397 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.267 -1.620 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.114 -0.513 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.498 -0.093 -1.926 1.00 0.00 H new ATOM 432 N PRO A 29 10.742 4.700 -4.598 1.00 0.00 N ATOM 433 CA PRO A 29 11.267 6.046 -4.352 1.00 0.00 C ATOM 434 C PRO A 29 10.420 6.869 -3.366 1.00 0.00 C ATOM 435 O PRO A 29 9.223 6.629 -3.193 1.00 0.00 O ATOM 436 CB PRO A 29 11.343 6.716 -5.729 1.00 0.00 C ATOM 437 CG PRO A 29 10.237 6.021 -6.519 1.00 0.00 C ATOM 438 CD PRO A 29 10.272 4.594 -5.974 1.00 0.00 C ATOM 0 HA PRO A 29 12.242 5.985 -3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.176 7.791 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.319 6.573 -6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.267 6.492 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.429 6.048 -7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.283 4.137 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.938 3.966 -6.566 1.00 0.00 H new ATOM 446 N LYS A 30 11.051 7.876 -2.744 1.00 0.00 N ATOM 447 CA LYS A 30 10.398 8.871 -1.870 1.00 0.00 C ATOM 448 C LYS A 30 9.496 9.844 -2.639 1.00 0.00 C ATOM 449 O LYS A 30 9.608 9.976 -3.859 1.00 0.00 O ATOM 450 CB LYS A 30 11.444 9.591 -1.002 1.00 0.00 C ATOM 451 CG LYS A 30 12.424 10.479 -1.786 1.00 0.00 C ATOM 452 CD LYS A 30 13.544 11.057 -0.902 1.00 0.00 C ATOM 453 CE LYS A 30 13.068 11.976 0.235 1.00 0.00 C ATOM 454 NZ LYS A 30 12.537 13.270 -0.264 1.00 0.00 N ATOM 0 H LYS A 30 12.056 8.028 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 30 9.725 8.331 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.925 10.206 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.014 8.845 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.869 9.897 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.874 11.298 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.107 10.230 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.234 11.615 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.294 11.467 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.898 12.166 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.372 13.910 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.225 13.700 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.641 13.107 -0.766 1.00 0.00 H new ATOM 468 N ASP A 31 8.598 10.519 -1.917 1.00 0.00 N ATOM 469 CA ASP A 31 7.577 11.433 -2.468 1.00 0.00 C ATOM 470 C ASP A 31 6.658 10.770 -3.525 1.00 0.00 C ATOM 471 O ASP A 31 6.178 11.406 -4.465 1.00 0.00 O ATOM 472 CB ASP A 31 8.207 12.765 -2.920 1.00 0.00 C ATOM 473 CG ASP A 31 8.912 13.491 -1.766 1.00 0.00 C ATOM 474 OD1 ASP A 31 8.226 14.183 -0.975 1.00 0.00 O ATOM 475 OD2 ASP A 31 10.155 13.377 -1.645 1.00 0.00 O ATOM 0 H ASP A 31 8.555 10.447 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 31 6.893 11.679 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.923 12.574 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.432 13.410 -3.334 1.00 0.00 H new ATOM 480 N SER A 32 6.411 9.468 -3.346 1.00 0.00 N ATOM 481 CA SER A 32 5.494 8.621 -4.121 1.00 0.00 C ATOM 482 C SER A 32 4.627 7.783 -3.168 1.00 0.00 C ATOM 483 O SER A 32 4.824 7.831 -1.952 1.00 0.00 O ATOM 484 CB SER A 32 6.304 7.741 -5.080 1.00 0.00 C ATOM 485 OG SER A 32 5.442 7.131 -6.030 1.00 0.00 O ATOM 0 H SER A 32 6.877 8.942 -2.607 1.00 0.00 H new ATOM 0 HA SER A 32 4.823 9.240 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.054 8.343 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.839 6.975 -4.519 1.00 0.00 H new ATOM 0 HG SER A 32 5.969 6.573 -6.639 1.00 0.00 H new ATOM 491 N LEU A 33 3.661 7.022 -3.680 1.00 0.00 N ATOM 492 CA LEU A 33 2.745 6.205 -2.882 1.00 0.00 C ATOM 493 C LEU A 33 3.211 4.739 -2.863 1.00 0.00 C ATOM 494 O LEU A 33 3.531 4.168 -3.910 1.00 0.00 O ATOM 495 CB LEU A 33 1.323 6.385 -3.445 1.00 0.00 C ATOM 496 CG LEU A 33 0.226 5.772 -2.559 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.009 6.573 -1.278 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.099 5.748 -3.313 1.00 0.00 C ATOM 0 H LEU A 33 3.489 6.954 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 33 2.739 6.527 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.124 7.449 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.274 5.932 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 33 0.568 4.770 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.793 6.096 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.912 6.607 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.314 7.588 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.871 5.312 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.383 6.765 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.992 5.149 -4.217 1.00 0.00 H new ATOM 510 N ARG A 34 3.226 4.117 -1.677 1.00 0.00 N ATOM 511 CA ARG A 34 3.651 2.725 -1.463 1.00 0.00 C ATOM 512 C ARG A 34 2.686 1.986 -0.541 1.00 0.00 C ATOM 513 O ARG A 34 2.087 2.594 0.343 1.00 0.00 O ATOM 514 CB ARG A 34 5.114 2.679 -0.974 1.00 0.00 C ATOM 515 CG ARG A 34 5.389 3.345 0.384 1.00 0.00 C ATOM 516 CD ARG A 34 6.735 2.925 1.005 1.00 0.00 C ATOM 517 NE ARG A 34 7.921 3.436 0.282 1.00 0.00 N ATOM 518 CZ ARG A 34 9.012 3.960 0.820 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.098 4.316 2.068 1.00 0.00 N ATOM 520 NH2 ARG A 34 10.080 4.170 0.104 1.00 0.00 N ATOM 0 H ARG A 34 2.935 4.580 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 34 3.618 2.195 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.424 1.636 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.743 3.157 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.376 4.428 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.584 3.094 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.772 3.277 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.784 1.837 1.037 1.00 0.00 H new ATOM 0 HE ARG A 34 7.896 3.379 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.297 4.197 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.966 4.715 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.085 3.930 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.911 4.574 0.535 1.00 0.00 H new ATOM 534 N MET A 35 2.545 0.679 -0.744 1.00 0.00 N ATOM 535 CA MET A 35 1.670 -0.216 0.023 1.00 0.00 C ATOM 536 C MET A 35 2.455 -1.412 0.557 1.00 0.00 C ATOM 537 O MET A 35 3.449 -1.812 -0.034 1.00 0.00 O ATOM 538 CB MET A 35 0.455 -0.666 -0.804 1.00 0.00 C ATOM 539 CG MET A 35 -0.574 0.459 -0.942 1.00 0.00 C ATOM 540 SD MET A 35 -2.159 0.027 -1.715 1.00 0.00 S ATOM 541 CE MET A 35 -2.906 -0.956 -0.382 1.00 0.00 C ATOM 0 H MET A 35 3.057 0.190 -1.478 1.00 0.00 H new ATOM 0 HA MET A 35 1.286 0.344 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.784 -0.984 -1.793 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.010 -1.530 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.778 0.857 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.122 1.264 -1.521 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.205 -1.929 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.180 -1.093 0.420 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.782 -0.436 0.007 1.00 0.00 H new ATOM 551 N ALA A 36 2.040 -1.965 1.689 1.00 0.00 N ATOM 552 CA ALA A 36 2.700 -3.077 2.368 1.00 0.00 C ATOM 553 C ALA A 36 1.692 -4.116 2.877 1.00 0.00 C ATOM 554 O ALA A 36 0.491 -3.846 2.961 1.00 0.00 O ATOM 555 CB ALA A 36 3.600 -2.537 3.491 1.00 0.00 C ATOM 0 H ALA A 36 1.206 -1.642 2.178 1.00 0.00 H new ATOM 0 HA ALA A 36 3.330 -3.601 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.091 -3.369 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.354 -1.874 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.994 -1.984 4.209 1.00 0.00 H new ATOM 561 N ILE A 37 2.194 -5.298 3.245 1.00 0.00 N ATOM 562 CA ILE A 37 1.397 -6.412 3.774 1.00 0.00 C ATOM 563 C ILE A 37 1.966 -6.909 5.092 1.00 0.00 C ATOM 564 O ILE A 37 3.181 -6.952 5.262 1.00 0.00 O ATOM 565 CB ILE A 37 1.293 -7.515 2.702 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.022 -7.295 1.937 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.374 -8.946 3.251 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.012 -7.913 0.542 1.00 0.00 C ATOM 0 H ILE A 37 3.189 -5.514 3.183 1.00 0.00 H new ATOM 0 HA ILE A 37 0.385 -6.074 3.998 1.00 0.00 H new ATOM 0 HB ILE A 37 2.160 -7.428 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.845 -7.721 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.212 -6.225 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.292 -9.656 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.328 -9.087 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.559 -9.112 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.968 -7.724 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.791 -7.469 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.148 -8.988 0.622 1.00 0.00 H new ATOM 580 N MET A 38 1.085 -7.300 6.012 1.00 0.00 N ATOM 581 CA MET A 38 1.448 -7.676 7.371 1.00 0.00 C ATOM 582 C MET A 38 1.702 -9.182 7.489 1.00 0.00 C ATOM 583 O MET A 38 0.766 -9.981 7.579 1.00 0.00 O ATOM 584 CB MET A 38 0.357 -7.175 8.338 1.00 0.00 C ATOM 585 CG MET A 38 -0.002 -5.683 8.214 1.00 0.00 C ATOM 586 SD MET A 38 0.937 -4.532 9.251 1.00 0.00 S ATOM 587 CE MET A 38 2.587 -4.838 8.596 1.00 0.00 C ATOM 0 H MET A 38 0.084 -7.364 5.828 1.00 0.00 H new ATOM 0 HA MET A 38 2.390 -7.200 7.644 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.546 -7.763 8.176 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.684 -7.369 9.360 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.128 -5.387 7.173 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.060 -5.567 8.449 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.187 -3.932 8.683 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.059 -5.642 9.161 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.515 -5.126 7.547 1.00 0.00 H new ATOM 597 N VAL A 39 2.979 -9.567 7.534 1.00 0.00 N ATOM 598 CA VAL A 39 3.425 -10.968 7.652 1.00 0.00 C ATOM 599 C VAL A 39 3.679 -11.324 9.113 1.00 0.00 C ATOM 600 O VAL A 39 4.380 -10.589 9.801 1.00 0.00 O ATOM 601 CB VAL A 39 4.710 -11.244 6.843 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.880 -12.746 6.593 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.739 -10.503 5.504 1.00 0.00 C ATOM 0 H VAL A 39 3.753 -8.904 7.489 1.00 0.00 H new ATOM 0 HA VAL A 39 2.624 -11.586 7.245 1.00 0.00 H new ATOM 0 HB VAL A 39 5.537 -10.871 7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.792 -12.919 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.946 -13.269 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.024 -13.121 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.666 -10.735 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.890 -10.816 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.682 -9.429 5.681 1.00 0.00 H new ATOM 613 N GLN A 40 3.165 -12.455 9.594 1.00 0.00 N ATOM 614 CA GLN A 40 3.481 -12.970 10.935 1.00 0.00 C ATOM 615 C GLN A 40 4.974 -13.328 11.033 1.00 0.00 C ATOM 616 O GLN A 40 5.473 -14.176 10.289 1.00 0.00 O ATOM 617 CB GLN A 40 2.552 -14.142 11.310 1.00 0.00 C ATOM 618 CG GLN A 40 2.273 -15.129 10.161 1.00 0.00 C ATOM 619 CD GLN A 40 1.548 -16.381 10.651 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.331 -16.499 10.581 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.257 -17.360 11.176 1.00 0.00 N ATOM 0 H GLN A 40 2.518 -13.043 9.069 1.00 0.00 H new ATOM 0 HA GLN A 40 3.295 -12.188 11.671 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.996 -14.689 12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.603 -13.738 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.672 -14.636 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.214 -15.415 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.271 -17.277 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.791 -18.201 11.517 1.00 0.00 H new ATOM 630 N SER A 41 5.709 -12.634 11.908 1.00 0.00 N ATOM 631 CA SER A 41 7.169 -12.571 11.834 1.00 0.00 C ATOM 632 C SER A 41 7.893 -13.734 12.508 1.00 0.00 C ATOM 633 O SER A 41 7.511 -14.145 13.610 1.00 0.00 O ATOM 634 CB SER A 41 7.686 -11.273 12.446 1.00 0.00 C ATOM 635 OG SER A 41 9.027 -11.079 12.051 1.00 0.00 O ATOM 0 H SER A 41 5.310 -12.104 12.682 1.00 0.00 H new ATOM 0 HA SER A 41 7.389 -12.626 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.073 -10.433 12.120 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.616 -11.316 13.533 1.00 0.00 H new ATOM 0 HG SER A 41 9.136 -10.172 11.697 1.00 0.00 H new ATOM 641 N PRO A 42 9.008 -14.197 11.914 1.00 0.00 N ATOM 642 CA PRO A 42 9.979 -15.033 12.597 1.00 0.00 C ATOM 643 C PRO A 42 10.972 -14.235 13.470 1.00 0.00 C ATOM 644 O PRO A 42 11.716 -14.850 14.238 1.00 0.00 O ATOM 645 CB PRO A 42 10.674 -15.807 11.472 1.00 0.00 C ATOM 646 CG PRO A 42 10.684 -14.801 10.322 1.00 0.00 C ATOM 647 CD PRO A 42 9.377 -14.030 10.515 1.00 0.00 C ATOM 0 HA PRO A 42 9.497 -15.694 13.317 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.683 -16.110 11.753 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.130 -16.715 11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.551 -14.142 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.718 -15.299 9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.507 -12.976 10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.597 -14.416 9.858 1.00 0.00 H new ATOM 655 N MET A 43 11.007 -12.892 13.373 1.00 0.00 N ATOM 656 CA MET A 43 11.977 -12.031 14.083 1.00 0.00 C ATOM 657 C MET A 43 11.368 -10.999 15.049 1.00 0.00 C ATOM 658 O MET A 43 12.058 -10.529 15.957 1.00 0.00 O ATOM 659 CB MET A 43 12.912 -11.354 13.078 1.00 0.00 C ATOM 660 CG MET A 43 12.329 -10.139 12.343 1.00 0.00 C ATOM 661 SD MET A 43 13.028 -9.846 10.697 1.00 0.00 S ATOM 662 CE MET A 43 12.385 -11.327 9.874 1.00 0.00 C ATOM 0 H MET A 43 10.354 -12.366 12.792 1.00 0.00 H new ATOM 0 HA MET A 43 12.537 -12.705 14.730 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.814 -11.040 13.603 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.216 -12.093 12.337 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.251 -10.272 12.247 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.488 -9.251 12.954 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.259 -11.126 8.810 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.086 -12.151 10.007 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.423 -11.596 10.309 1.00 0.00 H new ATOM 672 N PHE A 44 10.098 -10.637 14.856 1.00 0.00 N ATOM 673 CA PHE A 44 9.389 -9.579 15.585 1.00 0.00 C ATOM 674 C PHE A 44 8.220 -10.130 16.423 1.00 0.00 C ATOM 675 O PHE A 44 7.681 -11.206 16.156 1.00 0.00 O ATOM 676 CB PHE A 44 8.956 -8.503 14.574 1.00 0.00 C ATOM 677 CG PHE A 44 8.132 -7.362 15.142 1.00 0.00 C ATOM 678 CD1 PHE A 44 8.699 -6.471 16.074 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.787 -7.206 14.759 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.917 -5.443 16.631 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.006 -6.176 15.312 1.00 0.00 C ATOM 682 CZ PHE A 44 6.571 -5.297 16.253 1.00 0.00 C ATOM 0 H PHE A 44 9.509 -11.091 14.158 1.00 0.00 H new ATOM 0 HA PHE A 44 10.057 -9.124 16.316 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.850 -8.086 14.110 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.381 -8.984 13.783 1.00 0.00 H new ATOM 0 HD1 PHE A 44 9.735 -6.577 16.361 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.352 -7.881 14.037 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.351 -4.765 17.350 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.974 -6.060 15.015 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.971 -4.510 16.685 1.00 0.00 H new ATOM 692 N ASP A 45 7.807 -9.372 17.439 1.00 0.00 N ATOM 693 CA ASP A 45 6.772 -9.728 18.427 1.00 0.00 C ATOM 694 C ASP A 45 5.341 -9.421 17.925 1.00 0.00 C ATOM 695 O ASP A 45 4.497 -8.881 18.647 1.00 0.00 O ATOM 696 CB ASP A 45 7.102 -9.065 19.776 1.00 0.00 C ATOM 697 CG ASP A 45 8.432 -9.566 20.359 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.472 -10.706 20.884 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.441 -8.820 20.308 1.00 0.00 O ATOM 0 H ASP A 45 8.201 -8.446 17.609 1.00 0.00 H new ATOM 0 HA ASP A 45 6.783 -10.808 18.573 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.149 -7.984 19.646 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.298 -9.266 20.484 1.00 0.00 H new ATOM 704 N GLY A 46 5.079 -9.727 16.652 1.00 0.00 N ATOM 705 CA GLY A 46 3.863 -9.370 15.921 1.00 0.00 C ATOM 706 C GLY A 46 4.046 -9.546 14.416 1.00 0.00 C ATOM 707 O GLY A 46 4.679 -10.511 13.974 1.00 0.00 O ATOM 0 H GLY A 46 5.738 -10.253 16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.035 -9.991 16.263 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.597 -8.336 16.138 1.00 0.00 H new ATOM 711 N LYS A 47 3.498 -8.617 13.622 1.00 0.00 N ATOM 712 CA LYS A 47 3.520 -8.688 12.151 1.00 0.00 C ATOM 713 C LYS A 47 4.334 -7.557 11.509 1.00 0.00 C ATOM 714 O LYS A 47 4.348 -6.430 12.002 1.00 0.00 O ATOM 715 CB LYS A 47 2.097 -8.828 11.578 1.00 0.00 C ATOM 716 CG LYS A 47 1.288 -9.950 12.269 1.00 0.00 C ATOM 717 CD LYS A 47 0.386 -10.767 11.337 1.00 0.00 C ATOM 718 CE LYS A 47 -0.585 -9.959 10.471 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.671 -9.312 11.253 1.00 0.00 N ATOM 0 H LYS A 47 3.023 -7.789 13.982 1.00 0.00 H new ATOM 0 HA LYS A 47 4.055 -9.598 11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.569 -7.881 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.158 -9.034 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.984 -10.628 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.670 -9.504 13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.019 -11.363 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.192 -11.466 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.028 -9.192 9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.028 -10.617 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.233 -8.700 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.285 -10.043 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.256 -8.739 12.015 1.00 0.00 H new ATOM 733 N VAL A 48 5.019 -7.877 10.410 1.00 0.00 N ATOM 734 CA VAL A 48 6.019 -7.030 9.726 1.00 0.00 C ATOM 735 C VAL A 48 5.579 -6.622 8.313 1.00 0.00 C ATOM 736 O VAL A 48 4.973 -7.444 7.624 1.00 0.00 O ATOM 737 CB VAL A 48 7.400 -7.715 9.657 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.093 -7.640 11.024 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.369 -9.176 9.194 1.00 0.00 C ATOM 0 H VAL A 48 4.891 -8.775 9.944 1.00 0.00 H new ATOM 0 HA VAL A 48 6.101 -6.127 10.330 1.00 0.00 H new ATOM 0 HB VAL A 48 7.955 -7.164 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.067 -8.126 10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.225 -6.596 11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.480 -8.145 11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.384 -9.574 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.761 -9.763 9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.940 -9.232 8.193 1.00 0.00 H new ATOM 749 N PRO A 49 5.867 -5.385 7.855 1.00 0.00 N ATOM 750 CA PRO A 49 5.441 -4.896 6.544 1.00 0.00 C ATOM 751 C PRO A 49 6.338 -5.394 5.399 1.00 0.00 C ATOM 752 O PRO A 49 7.554 -5.189 5.408 1.00 0.00 O ATOM 753 CB PRO A 49 5.461 -3.367 6.655 1.00 0.00 C ATOM 754 CG PRO A 49 6.571 -3.101 7.672 1.00 0.00 C ATOM 755 CD PRO A 49 6.479 -4.300 8.616 1.00 0.00 C ATOM 0 HA PRO A 49 4.450 -5.275 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.674 -2.897 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.502 -2.976 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.548 -3.040 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.415 -2.160 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.467 -4.588 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.880 -4.057 9.494 1.00 0.00 H new ATOM 763 N HIS A 50 5.733 -5.995 4.371 1.00 0.00 N ATOM 764 CA HIS A 50 6.374 -6.284 3.079 1.00 0.00 C ATOM 765 C HIS A 50 5.934 -5.240 2.066 1.00 0.00 C ATOM 766 O HIS A 50 4.791 -5.292 1.623 1.00 0.00 O ATOM 767 CB HIS A 50 6.038 -7.720 2.634 1.00 0.00 C ATOM 768 CG HIS A 50 6.963 -8.747 3.235 1.00 0.00 C ATOM 769 ND1 HIS A 50 7.549 -9.821 2.562 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.390 -8.753 4.527 1.00 0.00 C ATOM 771 CE1 HIS A 50 8.302 -10.460 3.473 1.00 0.00 C ATOM 772 NE2 HIS A 50 8.233 -9.835 4.662 1.00 0.00 N ATOM 0 H HIS A 50 4.761 -6.303 4.412 1.00 0.00 H new ATOM 0 HA HIS A 50 7.459 -6.228 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.011 -7.953 2.916 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.091 -7.781 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.120 -8.046 5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.881 -11.350 3.278 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.719 -10.113 5.514 1.00 0.00 H new ATOM 780 N TRP A 51 6.802 -4.273 1.747 1.00 0.00 N ATOM 781 CA TRP A 51 6.466 -3.123 0.904 1.00 0.00 C ATOM 782 C TRP A 51 6.468 -3.464 -0.589 1.00 0.00 C ATOM 783 O TRP A 51 7.253 -4.272 -1.072 1.00 0.00 O ATOM 784 CB TRP A 51 7.434 -1.966 1.177 1.00 0.00 C ATOM 785 CG TRP A 51 7.335 -1.336 2.533 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.187 -1.543 3.564 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.345 -0.375 3.020 1.00 0.00 C ATOM 788 NE1 TRP A 51 7.803 -0.774 4.645 1.00 0.00 N ATOM 789 CE2 TRP A 51 6.678 -0.029 4.365 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.195 0.231 2.466 1.00 0.00 C ATOM 791 CZ2 TRP A 51 5.928 0.890 5.111 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.423 1.142 3.214 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.797 1.485 4.526 1.00 0.00 C ATOM 0 H TRP A 51 7.769 -4.268 2.072 1.00 0.00 H new ATOM 0 HA TRP A 51 5.450 -2.825 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.452 -2.330 1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.268 -1.194 0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.038 -2.208 3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.292 -0.759 5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.903 -0.008 1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.215 1.138 6.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.538 1.580 2.777 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.216 2.205 5.083 1.00 0.00 H new ATOM 804 N TYR A 52 5.626 -2.778 -1.347 1.00 0.00 N ATOM 805 CA TYR A 52 5.585 -2.789 -2.798 1.00 0.00 C ATOM 806 C TYR A 52 5.235 -1.373 -3.303 1.00 0.00 C ATOM 807 O TYR A 52 4.728 -0.528 -2.554 1.00 0.00 O ATOM 808 CB TYR A 52 4.571 -3.819 -3.338 1.00 0.00 C ATOM 809 CG TYR A 52 4.320 -5.157 -2.651 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.691 -5.245 -1.390 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.574 -6.339 -3.373 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.378 -6.505 -0.835 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.238 -7.596 -2.838 1.00 0.00 C ATOM 814 CZ TYR A 52 3.653 -7.685 -1.560 1.00 0.00 C ATOM 815 OH TYR A 52 3.360 -8.908 -1.038 1.00 0.00 O ATOM 0 H TYR A 52 4.916 -2.167 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 52 6.567 -3.084 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.608 -3.311 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.870 -4.045 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.448 -4.344 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.032 -6.280 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.928 -6.566 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.429 -8.493 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 52 3.616 -9.606 -1.676 1.00 0.00 H new ATOM 825 N HIS A 53 5.459 -1.115 -4.594 1.00 0.00 N ATOM 826 CA HIS A 53 4.864 0.044 -5.284 1.00 0.00 C ATOM 827 C HIS A 53 3.326 0.014 -5.153 1.00 0.00 C ATOM 828 O HIS A 53 2.745 -1.066 -5.018 1.00 0.00 O ATOM 829 CB HIS A 53 5.286 0.049 -6.767 1.00 0.00 C ATOM 830 CG HIS A 53 6.783 0.021 -6.997 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.573 -1.051 -7.443 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.605 1.086 -6.758 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.836 -0.603 -7.444 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.889 0.670 -7.033 1.00 0.00 N ATOM 0 H HIS A 53 6.051 -1.694 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 53 5.228 0.959 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.840 -0.814 -7.261 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.875 0.938 -7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.305 2.066 -6.418 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.695 -1.189 -7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.734 1.234 -6.940 1.00 0.00 H new ATOM 842 N PHE A 54 2.646 1.169 -5.218 1.00 0.00 N ATOM 843 CA PHE A 54 1.176 1.229 -5.089 1.00 0.00 C ATOM 844 C PHE A 54 0.459 0.253 -6.046 1.00 0.00 C ATOM 845 O PHE A 54 -0.465 -0.443 -5.629 1.00 0.00 O ATOM 846 CB PHE A 54 0.665 2.663 -5.325 1.00 0.00 C ATOM 847 CG PHE A 54 -0.820 2.737 -5.668 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.800 2.459 -4.693 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.221 2.989 -6.996 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.161 2.409 -5.048 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.582 2.944 -7.349 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.551 2.642 -6.378 1.00 0.00 C ATOM 0 H PHE A 54 3.089 2.077 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 54 0.940 0.923 -4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.852 3.258 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.239 3.115 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.505 2.284 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.479 3.218 -7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.907 2.191 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.882 3.142 -8.367 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.594 2.589 -6.653 1.00 0.00 H new ATOM 862 N SER A 55 0.895 0.162 -7.309 1.00 0.00 N ATOM 863 CA SER A 55 0.269 -0.699 -8.318 1.00 0.00 C ATOM 864 C SER A 55 0.609 -2.177 -8.107 1.00 0.00 C ATOM 865 O SER A 55 -0.239 -3.041 -8.333 1.00 0.00 O ATOM 866 CB SER A 55 0.655 -0.225 -9.722 1.00 0.00 C ATOM 867 OG SER A 55 2.065 -0.232 -9.898 1.00 0.00 O ATOM 0 H SER A 55 1.696 0.687 -7.660 1.00 0.00 H new ATOM 0 HA SER A 55 -0.812 -0.617 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.190 -0.870 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.270 0.781 -9.887 1.00 0.00 H new ATOM 0 HG SER A 55 2.292 0.220 -10.737 1.00 0.00 H new ATOM 873 N CYS A 56 1.822 -2.477 -7.630 1.00 0.00 N ATOM 874 CA CYS A 56 2.325 -3.827 -7.400 1.00 0.00 C ATOM 875 C CYS A 56 1.514 -4.623 -6.359 1.00 0.00 C ATOM 876 O CYS A 56 1.305 -5.823 -6.536 1.00 0.00 O ATOM 877 CB CYS A 56 3.802 -3.732 -7.020 1.00 0.00 C ATOM 878 SG CYS A 56 4.802 -3.226 -8.467 1.00 0.00 S ATOM 0 H CYS A 56 2.502 -1.757 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 56 2.210 -4.394 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.930 -3.012 -6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.151 -4.695 -6.648 1.00 0.00 H new ATOM 883 N PHE A 57 0.997 -3.965 -5.319 1.00 0.00 N ATOM 884 CA PHE A 57 0.037 -4.550 -4.371 1.00 0.00 C ATOM 885 C PHE A 57 -1.137 -5.224 -5.109 1.00 0.00 C ATOM 886 O PHE A 57 -1.460 -6.391 -4.873 1.00 0.00 O ATOM 887 CB PHE A 57 -0.465 -3.446 -3.431 1.00 0.00 C ATOM 888 CG PHE A 57 -1.424 -3.947 -2.369 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.766 -4.216 -2.703 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.978 -4.168 -1.051 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.646 -4.734 -1.741 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.876 -4.635 -0.075 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.204 -4.935 -0.425 1.00 0.00 C ATOM 0 H PHE A 57 1.235 -2.996 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 57 0.534 -5.326 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.390 -2.977 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.959 -2.674 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.119 -4.022 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.053 -3.979 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.662 -4.978 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.545 -4.763 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.884 -5.321 0.320 1.00 0.00 H new ATOM 903 N TRP A 58 -1.740 -4.515 -6.067 1.00 0.00 N ATOM 904 CA TRP A 58 -2.865 -5.007 -6.869 1.00 0.00 C ATOM 905 C TRP A 58 -2.439 -5.979 -7.989 1.00 0.00 C ATOM 906 O TRP A 58 -3.285 -6.715 -8.500 1.00 0.00 O ATOM 907 CB TRP A 58 -3.658 -3.816 -7.417 1.00 0.00 C ATOM 908 CG TRP A 58 -3.931 -2.711 -6.432 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.224 -1.563 -6.375 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.909 -2.619 -5.341 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.658 -0.786 -5.325 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.709 -1.374 -4.661 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.949 -3.446 -4.852 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.509 -0.964 -3.584 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.748 -3.048 -3.762 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.530 -1.809 -3.136 1.00 0.00 C ATOM 0 H TRP A 58 -1.456 -3.567 -6.312 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.507 -5.596 -6.214 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.114 -3.398 -8.264 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.611 -4.181 -7.800 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.431 -1.292 -7.056 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.251 0.114 -5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.133 -4.400 -5.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.339 -0.010 -3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.533 -3.699 -3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.153 -1.508 -2.306 1.00 0.00 H new ATOM 927 N LYS A 59 -1.140 -6.054 -8.324 1.00 0.00 N ATOM 928 CA LYS A 59 -0.561 -7.120 -9.170 1.00 0.00 C ATOM 929 C LYS A 59 -0.410 -8.437 -8.399 1.00 0.00 C ATOM 930 O LYS A 59 -0.470 -9.503 -9.012 1.00 0.00 O ATOM 931 CB LYS A 59 0.789 -6.698 -9.775 1.00 0.00 C ATOM 932 CG LYS A 59 0.657 -5.501 -10.726 1.00 0.00 C ATOM 933 CD LYS A 59 2.031 -4.912 -11.094 1.00 0.00 C ATOM 934 CE LYS A 59 1.893 -3.391 -11.189 1.00 0.00 C ATOM 935 NZ LYS A 59 3.195 -2.702 -11.033 1.00 0.00 N ATOM 0 H LYS A 59 -0.451 -5.369 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.263 -7.284 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.481 -6.445 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.221 -7.541 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.140 -5.812 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.044 -4.730 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.773 -5.180 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.378 -5.322 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.457 -3.127 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.204 -3.041 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.039 -1.747 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.797 -3.241 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.665 -2.633 -11.958 1.00 0.00 H new ATOM 949 N VAL A 60 -0.258 -8.386 -7.067 1.00 0.00 N ATOM 950 CA VAL A 60 -0.440 -9.570 -6.197 1.00 0.00 C ATOM 951 C VAL A 60 -1.936 -9.887 -6.030 1.00 0.00 C ATOM 952 O VAL A 60 -2.330 -11.053 -6.032 1.00 0.00 O ATOM 953 CB VAL A 60 0.242 -9.399 -4.824 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.213 -10.705 -4.019 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.717 -9.009 -4.950 1.00 0.00 C ATOM 0 H VAL A 60 -0.008 -7.536 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 60 0.047 -10.412 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.319 -8.609 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.702 -10.550 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.821 -11.009 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.738 -11.485 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.151 -8.901 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.253 -9.784 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.799 -8.064 -5.486 1.00 0.00 H new ATOM 965 N GLY A 61 -2.781 -8.850 -5.973 1.00 0.00 N ATOM 966 CA GLY A 61 -4.241 -8.966 -6.094 1.00 0.00 C ATOM 967 C GLY A 61 -4.984 -9.273 -4.788 1.00 0.00 C ATOM 968 O GLY A 61 -6.054 -9.886 -4.822 1.00 0.00 O ATOM 0 H GLY A 61 -2.464 -7.890 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.630 -8.034 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.468 -9.751 -6.815 1.00 0.00 H new ATOM 972 N HIS A 62 -4.435 -8.865 -3.639 1.00 0.00 N ATOM 973 CA HIS A 62 -5.106 -8.987 -2.334 1.00 0.00 C ATOM 974 C HIS A 62 -6.387 -8.140 -2.264 1.00 0.00 C ATOM 975 O HIS A 62 -6.425 -7.004 -2.745 1.00 0.00 O ATOM 976 CB HIS A 62 -4.138 -8.619 -1.203 1.00 0.00 C ATOM 977 CG HIS A 62 -3.155 -9.720 -0.893 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.383 -10.787 -0.019 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.906 -9.845 -1.425 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.258 -11.524 -0.035 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.358 -10.984 -0.873 1.00 0.00 N ATOM 0 H HIS A 62 -3.510 -8.439 -3.584 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.408 -10.027 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.591 -7.717 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.709 -8.384 -0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.438 -9.183 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.101 -12.422 0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.427 -11.353 -1.068 1.00 0.00 H new ATOM 989 N SER A 63 -7.443 -8.696 -1.665 1.00 0.00 N ATOM 990 CA SER A 63 -8.772 -8.078 -1.560 1.00 0.00 C ATOM 991 C SER A 63 -8.935 -7.232 -0.298 1.00 0.00 C ATOM 992 O SER A 63 -8.443 -7.579 0.779 1.00 0.00 O ATOM 993 CB SER A 63 -9.868 -9.147 -1.646 1.00 0.00 C ATOM 994 OG SER A 63 -9.624 -10.203 -0.724 1.00 0.00 O ATOM 0 H SER A 63 -7.398 -9.616 -1.226 1.00 0.00 H new ATOM 0 HA SER A 63 -8.872 -7.396 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.838 -8.696 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.912 -9.547 -2.659 1.00 0.00 H new ATOM 0 HG SER A 63 -10.337 -10.872 -0.796 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.669 -6.126 -0.435 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.904 -5.094 0.580 1.00 0.00 C ATOM 1002 C ILE A 64 -11.365 -4.632 0.438 1.00 0.00 C ATOM 1003 O ILE A 64 -11.835 -4.410 -0.681 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.909 -3.913 0.419 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.460 -4.342 0.080 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.939 -3.048 1.692 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.421 -3.218 0.175 1.00 0.00 C ATOM 0 H ILE A 64 -10.145 -5.913 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.737 -5.496 1.579 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.243 -3.336 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.167 -5.147 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.443 -4.750 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.242 -2.217 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.946 -2.659 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.651 -3.654 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.436 -3.610 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.684 -2.420 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.403 -2.824 1.191 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.095 -4.522 1.554 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.552 -4.251 1.613 1.00 0.00 C ATOM 1021 C ARG A 65 -13.963 -3.165 2.616 1.00 0.00 C ATOM 1022 O ARG A 65 -15.043 -2.590 2.489 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.382 -5.548 1.770 1.00 0.00 C ATOM 1024 CG ARG A 65 -14.354 -6.244 3.144 1.00 0.00 C ATOM 1025 CD ARG A 65 -13.013 -6.918 3.445 1.00 0.00 C ATOM 1026 NE ARG A 65 -12.784 -8.119 2.629 1.00 0.00 N ATOM 1027 CZ ARG A 65 -11.604 -8.535 2.210 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.490 -8.019 2.640 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -11.528 -9.475 1.316 1.00 0.00 N ATOM 0 H ARG A 65 -11.680 -4.622 2.480 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.795 -3.825 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.420 -5.315 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.036 -6.262 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.568 -5.511 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.147 -6.991 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.206 -6.206 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.976 -7.189 4.500 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.599 -8.673 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.509 -7.265 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.598 -8.369 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.380 -9.890 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.616 -9.797 0.991 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.089 -2.846 3.570 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.159 -1.672 4.445 1.00 0.00 C ATOM 1045 C HIS A 66 -11.765 -1.029 4.549 1.00 0.00 C ATOM 1046 O HIS A 66 -11.103 -1.116 5.583 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.869 -1.975 5.783 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.416 -3.128 6.661 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.512 -3.135 8.057 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -13.039 -4.379 6.261 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.149 -4.365 8.457 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.853 -5.132 7.398 1.00 0.00 N ATOM 0 H HIS A 66 -12.273 -3.426 3.765 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.806 -0.914 4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.811 -1.070 6.388 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.922 -2.140 5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.911 -4.714 5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.102 -4.690 9.486 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.544 -6.104 7.429 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.274 -0.416 3.451 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.867 -0.045 3.293 1.00 0.00 C ATOM 1062 C PRO A 67 -9.337 0.950 4.325 1.00 0.00 C ATOM 1063 O PRO A 67 -8.194 0.818 4.745 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.732 0.511 1.865 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.159 0.910 1.506 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.987 -0.153 2.208 1.00 0.00 C ATOM 0 HA PRO A 67 -9.253 -0.930 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.055 1.364 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.339 -0.238 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.401 1.912 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.322 0.905 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.001 0.198 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.071 -1.055 1.601 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.145 1.893 4.810 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.723 2.832 5.859 1.00 0.00 C ATOM 1076 C ASP A 68 -9.578 2.173 7.247 1.00 0.00 C ATOM 1077 O ASP A 68 -9.035 2.782 8.173 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.634 4.067 5.865 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.108 3.724 6.113 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.544 3.699 7.288 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.832 3.502 5.114 1.00 0.00 O ATOM 0 H ASP A 68 -11.104 2.030 4.492 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.715 3.167 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.293 4.759 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.543 4.583 4.909 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.023 0.917 7.379 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.828 0.054 8.553 1.00 0.00 C ATOM 1088 C VAL A 69 -8.692 -0.952 8.323 1.00 0.00 C ATOM 1089 O VAL A 69 -7.854 -1.158 9.201 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.130 -0.696 8.908 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.025 -1.368 10.283 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.359 0.226 8.921 1.00 0.00 C ATOM 0 H VAL A 69 -10.551 0.454 6.640 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.554 0.698 9.388 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.259 -1.445 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.957 -1.888 10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.202 -2.083 10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.841 -0.611 11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.246 -0.354 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.215 1.014 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.489 0.673 7.935 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.643 -1.578 7.141 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.707 -2.673 6.823 1.00 0.00 C ATOM 1104 C GLU A 70 -6.321 -2.198 6.368 1.00 0.00 C ATOM 1105 O GLU A 70 -5.328 -2.871 6.642 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.298 -3.566 5.716 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.584 -4.303 6.097 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.159 -5.045 4.877 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.752 -4.386 3.992 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -10.053 -6.291 4.793 1.00 0.00 O ATOM 0 H GLU A 70 -9.260 -1.338 6.365 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.573 -3.223 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.497 -2.949 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.548 -4.302 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.380 -5.012 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.318 -3.593 6.478 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.254 -1.055 5.683 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.026 -0.387 5.234 1.00 0.00 C ATOM 1119 C VAL A 71 -4.613 0.642 6.279 1.00 0.00 C ATOM 1120 O VAL A 71 -5.133 1.756 6.341 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.194 0.234 3.843 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.825 0.710 3.381 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.704 -0.795 2.829 1.00 0.00 C ATOM 0 H VAL A 71 -7.094 -0.543 5.412 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.230 -1.125 5.135 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.916 1.049 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.911 1.158 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.441 1.451 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.141 -0.137 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.812 -0.322 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.993 -1.618 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.671 -1.179 3.155 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.649 0.265 7.111 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.080 1.160 8.113 1.00 0.00 C ATOM 1135 C ASP A 72 -2.145 2.195 7.459 1.00 0.00 C ATOM 1136 O ASP A 72 -1.446 1.897 6.492 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.412 0.308 9.196 1.00 0.00 C ATOM 1138 CG ASP A 72 -2.011 1.108 10.450 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.596 2.185 10.712 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.126 0.632 11.199 1.00 0.00 O ATOM 0 H ASP A 72 -3.240 -0.669 7.110 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.858 1.753 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.092 -0.492 9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.524 -0.165 8.778 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.157 3.433 7.947 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.426 4.566 7.370 1.00 0.00 C ATOM 1147 C GLY A 73 -2.182 5.323 6.274 1.00 0.00 C ATOM 1148 O GLY A 73 -1.699 6.345 5.795 1.00 0.00 O ATOM 0 H GLY A 73 -2.690 3.686 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.176 5.264 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.485 4.202 6.958 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.401 4.897 5.924 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.319 5.614 5.025 1.00 0.00 C ATOM 1154 C PHE A 74 -4.603 7.051 5.500 1.00 0.00 C ATOM 1155 O PHE A 74 -4.786 7.960 4.690 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.606 4.782 4.972 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.726 5.357 4.131 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.752 5.129 2.743 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.764 6.086 4.745 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.819 5.621 1.973 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.829 6.578 3.972 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.859 6.337 2.590 1.00 0.00 C ATOM 0 H PHE A 74 -3.789 4.019 6.267 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.872 5.722 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.361 3.791 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.973 4.648 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.953 4.577 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.741 6.266 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.840 5.449 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.623 7.141 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.685 6.703 1.998 1.00 0.00 H new ATOM 1172 N SER A 75 -4.552 7.283 6.812 1.00 0.00 N ATOM 1173 CA SER A 75 -4.657 8.606 7.447 1.00 0.00 C ATOM 1174 C SER A 75 -3.515 9.578 7.086 1.00 0.00 C ATOM 1175 O SER A 75 -3.651 10.782 7.300 1.00 0.00 O ATOM 1176 CB SER A 75 -4.702 8.427 8.970 1.00 0.00 C ATOM 1177 OG SER A 75 -5.773 7.570 9.340 1.00 0.00 O ATOM 0 H SER A 75 -4.432 6.531 7.490 1.00 0.00 H new ATOM 0 HA SER A 75 -5.572 9.057 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.758 8.011 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.822 9.397 9.452 1.00 0.00 H new ATOM 0 HG SER A 75 -5.786 7.465 10.314 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.399 9.091 6.527 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.267 9.916 6.069 1.00 0.00 C ATOM 1185 C GLU A 76 -1.474 10.511 4.660 1.00 0.00 C ATOM 1186 O GLU A 76 -0.742 11.420 4.256 1.00 0.00 O ATOM 1187 CB GLU A 76 0.033 9.087 6.073 1.00 0.00 C ATOM 1188 CG GLU A 76 0.398 8.457 7.429 1.00 0.00 C ATOM 1189 CD GLU A 76 1.758 7.734 7.368 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.741 8.311 6.844 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.865 6.584 7.857 1.00 0.00 O ATOM 0 H GLU A 76 -2.252 8.093 6.376 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.198 10.748 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.058 8.292 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.855 9.727 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.431 9.232 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.378 7.751 7.724 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.439 9.995 3.888 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.620 10.302 2.463 1.00 0.00 C ATOM 1200 C LEU A 77 -3.369 11.627 2.234 1.00 0.00 C ATOM 1201 O LEU A 77 -4.285 11.990 2.979 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.359 9.134 1.772 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.526 7.898 1.389 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.586 7.381 2.476 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.473 6.772 0.974 1.00 0.00 C ATOM 0 H LEU A 77 -3.132 9.337 4.245 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.630 10.424 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.163 8.807 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.826 9.520 0.866 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.880 8.220 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.046 6.509 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.874 8.162 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.166 7.102 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.893 5.891 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.134 6.527 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.069 7.094 0.120 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.028 12.309 1.132 1.00 0.00 N ATOM 1218 CA ARG A 78 -3.792 13.433 0.558 1.00 0.00 C ATOM 1219 C ARG A 78 -5.190 12.951 0.143 1.00 0.00 C ATOM 1220 O ARG A 78 -5.331 11.833 -0.353 1.00 0.00 O ATOM 1221 CB ARG A 78 -2.950 14.007 -0.601 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.485 15.270 -1.301 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.305 14.973 -2.565 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.527 14.268 -3.602 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.760 14.774 -4.546 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.549 16.052 -4.691 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -2.188 13.951 -5.369 1.00 0.00 N ATOM 0 H ARG A 78 -2.188 12.090 0.597 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.966 14.233 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.954 14.230 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.835 13.227 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.104 15.829 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.645 15.912 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.172 14.370 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.683 15.910 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.592 13.250 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.988 16.717 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.945 16.387 -5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.339 12.947 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.587 14.308 -6.112 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.232 13.767 0.338 1.00 0.00 N ATOM 1242 CA TRP A 79 -7.632 13.297 0.274 1.00 0.00 C ATOM 1243 C TRP A 79 -8.034 12.690 -1.083 1.00 0.00 C ATOM 1244 O TRP A 79 -8.796 11.727 -1.122 1.00 0.00 O ATOM 1245 CB TRP A 79 -8.603 14.399 0.741 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.433 15.078 -0.311 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -10.781 15.030 -0.390 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.002 15.883 -1.452 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.214 15.762 -1.481 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.155 16.305 -2.178 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -7.747 16.259 -1.969 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.062 17.083 -3.342 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -7.635 17.041 -3.132 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -8.792 17.453 -3.820 1.00 0.00 C ATOM 0 H TRP A 79 -6.137 14.762 0.543 1.00 0.00 H new ATOM 0 HA TRP A 79 -7.705 12.463 0.972 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.280 13.963 1.475 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.022 15.163 1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.424 14.499 0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.193 15.885 -1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.850 15.939 -1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.955 17.394 -3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.660 17.326 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.705 18.053 -4.714 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.483 13.186 -2.193 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.730 12.661 -3.540 1.00 0.00 C ATOM 1267 C ASP A 80 -7.132 11.253 -3.742 1.00 0.00 C ATOM 1268 O ASP A 80 -7.669 10.434 -4.484 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.190 13.638 -4.591 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.598 13.234 -6.020 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.812 13.260 -6.334 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.704 12.930 -6.846 1.00 0.00 O ATOM 0 H ASP A 80 -6.841 13.978 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.809 12.563 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.561 14.641 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.103 13.679 -4.523 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.035 10.948 -3.045 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.375 9.650 -3.052 1.00 0.00 C ATOM 1279 C ASP A 81 -6.005 8.699 -2.028 1.00 0.00 C ATOM 1280 O ASP A 81 -6.113 7.507 -2.298 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.860 9.805 -2.888 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.241 10.329 -4.192 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -3.186 11.565 -4.391 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.849 9.489 -5.038 1.00 0.00 O ATOM 0 H ASP A 81 -5.569 11.625 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.531 9.185 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.643 10.493 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.415 8.846 -2.624 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.554 9.206 -0.919 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.554 8.456 -0.153 1.00 0.00 C ATOM 1291 C GLN A 82 -8.722 8.030 -1.060 1.00 0.00 C ATOM 1292 O GLN A 82 -9.089 6.854 -1.057 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.049 9.272 1.051 1.00 0.00 C ATOM 1294 CG GLN A 82 -6.993 9.371 2.156 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.477 10.135 3.388 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.400 10.940 3.354 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -6.862 9.923 4.531 1.00 0.00 N ATOM 0 H GLN A 82 -6.326 10.123 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.083 7.552 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.322 10.274 0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.951 8.812 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.694 8.366 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.105 9.863 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.091 9.257 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.156 10.425 5.369 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.246 8.919 -1.918 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.326 8.547 -2.842 1.00 0.00 C ATOM 1308 C GLN A 83 -9.879 7.510 -3.886 1.00 0.00 C ATOM 1309 O GLN A 83 -10.653 6.598 -4.173 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.967 9.755 -3.559 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.537 10.896 -2.696 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.089 10.461 -1.340 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.162 9.882 -1.225 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.373 10.716 -0.265 1.00 0.00 N ATOM 0 H GLN A 83 -8.943 9.890 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.086 8.098 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.217 10.183 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.774 9.379 -4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.753 11.635 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.332 11.392 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.478 11.198 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.713 10.432 0.654 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.648 7.569 -4.423 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.170 6.630 -5.444 1.00 0.00 C ATOM 1325 C LYS A 84 -7.824 5.288 -4.837 1.00 0.00 C ATOM 1326 O LYS A 84 -8.084 4.273 -5.468 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.043 7.241 -6.300 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.609 7.203 -5.756 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.829 5.962 -6.199 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.366 5.994 -5.734 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.582 7.087 -6.366 1.00 0.00 N ATOM 0 H LYS A 84 -7.958 8.272 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.986 6.438 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.046 6.732 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.298 8.284 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.078 8.095 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.639 7.236 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.314 5.070 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.860 5.885 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.337 6.112 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.896 5.037 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.568 6.932 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.761 7.095 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.867 8.000 -5.957 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.311 5.252 -3.607 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.018 3.982 -2.917 1.00 0.00 C ATOM 1347 C VAL A 85 -8.317 3.268 -2.528 1.00 0.00 C ATOM 1348 O VAL A 85 -8.442 2.066 -2.770 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.063 4.201 -1.726 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -5.844 2.939 -0.878 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.690 4.647 -2.250 1.00 0.00 C ATOM 0 H VAL A 85 -7.087 6.085 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.492 3.320 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.532 4.957 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.162 3.165 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.799 2.602 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.416 2.153 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.013 4.803 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.283 3.877 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.798 5.578 -2.806 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.339 3.998 -2.047 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.677 3.424 -1.802 1.00 0.00 C ATOM 1363 C LYS A 86 -11.380 3.007 -3.099 1.00 0.00 C ATOM 1364 O LYS A 86 -11.910 1.900 -3.167 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.549 4.377 -0.963 1.00 0.00 C ATOM 1366 CG LYS A 86 -10.978 4.540 0.458 1.00 0.00 C ATOM 1367 CD LYS A 86 -11.929 5.174 1.489 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.211 4.355 1.660 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.964 4.728 2.885 1.00 0.00 N ATOM 0 H LYS A 86 -9.265 4.989 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.530 2.512 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.603 5.350 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.567 3.991 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.677 3.558 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.076 5.149 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.420 5.257 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.184 6.186 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.849 4.498 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.959 3.295 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.977 4.540 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.619 4.166 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.825 5.739 3.084 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.312 3.823 -4.158 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.850 3.484 -5.492 1.00 0.00 C ATOM 1385 C LYS A 87 -11.148 2.265 -6.084 1.00 0.00 C ATOM 1386 O LYS A 87 -11.817 1.399 -6.629 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.790 4.719 -6.410 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.461 4.538 -7.785 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.511 4.043 -8.889 1.00 0.00 C ATOM 1390 CE LYS A 87 -12.269 3.960 -10.220 1.00 0.00 C ATOM 1391 NZ LYS A 87 -11.381 3.538 -11.336 1.00 0.00 N ATOM 0 H LYS A 87 -10.880 4.746 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.898 3.201 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.263 5.557 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.745 4.989 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.284 3.830 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.894 5.489 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.663 4.721 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.110 3.064 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.094 3.254 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.706 4.932 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.930 3.494 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.608 4.225 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.984 2.600 -11.128 1.00 0.00 H new ATOM 1405 N THR A 88 -9.834 2.142 -5.920 1.00 0.00 N ATOM 1406 CA THR A 88 -9.056 0.980 -6.381 1.00 0.00 C ATOM 1407 C THR A 88 -9.420 -0.306 -5.629 1.00 0.00 C ATOM 1408 O THR A 88 -9.488 -1.371 -6.242 1.00 0.00 O ATOM 1409 CB THR A 88 -7.550 1.255 -6.289 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.216 2.361 -7.094 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.744 0.105 -6.863 1.00 0.00 C ATOM 0 H THR A 88 -9.266 2.852 -5.458 1.00 0.00 H new ATOM 0 HA THR A 88 -9.318 0.823 -7.427 1.00 0.00 H new ATOM 0 HB THR A 88 -7.327 1.414 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.667 3.162 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.681 0.330 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.964 -0.807 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.007 -0.036 -7.911 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.732 -0.219 -4.332 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.202 -1.353 -3.544 1.00 0.00 C ATOM 1421 C ALA A 89 -11.622 -1.768 -3.967 1.00 0.00 C ATOM 1422 O ALA A 89 -11.899 -2.958 -4.124 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.119 -0.975 -2.063 1.00 0.00 C ATOM 0 H ALA A 89 -9.664 0.648 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.571 -2.224 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.466 -1.810 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.086 -0.742 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.746 -0.103 -1.874 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.492 -0.795 -4.258 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.829 -1.050 -4.815 1.00 0.00 C ATOM 1431 C GLU A 90 -13.775 -1.612 -6.249 1.00 0.00 C ATOM 1432 O GLU A 90 -14.608 -2.436 -6.636 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.671 0.237 -4.783 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.110 0.653 -3.373 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.233 -0.255 -2.833 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.427 0.027 -3.101 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.934 -1.253 -2.136 1.00 0.00 O ATOM 0 H GLU A 90 -12.290 0.194 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.297 -1.810 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.095 1.048 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.557 0.097 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.254 0.613 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.455 1.687 -3.390 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.764 -1.209 -7.022 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.464 -1.680 -8.372 1.00 0.00 C ATOM 1446 C ALA A 91 -11.801 -3.078 -8.407 1.00 0.00 C ATOM 1447 O ALA A 91 -11.685 -3.678 -9.478 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.581 -0.610 -9.035 1.00 0.00 C ATOM 0 H ALA A 91 -12.097 -0.506 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.396 -1.814 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.332 -0.921 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.120 0.337 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.665 -0.486 -8.458 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.365 -3.605 -7.254 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.671 -4.893 -7.135 1.00 0.00 C ATOM 1456 C GLY A 92 -9.233 -4.894 -7.679 1.00 0.00 C ATOM 1457 O GLY A 92 -8.716 -5.956 -8.031 1.00 0.00 O ATOM 0 H GLY A 92 -11.489 -3.135 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.649 -5.184 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.247 -5.652 -7.664 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.595 -3.721 -7.777 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.258 -3.520 -8.333 1.00 0.00 C ATOM 1463 C GLY A 93 -7.215 -2.489 -9.464 1.00 0.00 C ATOM 1464 O GLY A 93 -8.182 -2.301 -10.207 1.00 0.00 O ATOM 0 H GLY A 93 -9.018 -2.850 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.586 -3.201 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.881 -4.472 -8.706 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.077 -1.801 -9.579 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.839 -0.729 -10.564 1.00 0.00 C ATOM 1470 C VAL A 94 -5.550 -1.283 -11.969 1.00 0.00 C ATOM 1471 O VAL A 94 -5.015 -2.383 -12.126 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.758 0.251 -10.056 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.345 -0.345 -10.023 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.726 1.564 -10.846 1.00 0.00 C ATOM 0 H VAL A 94 -5.272 -1.974 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.760 -0.155 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.060 0.458 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.643 0.403 -9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.331 -1.211 -9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.056 -0.651 -11.028 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.947 2.212 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.516 1.353 -11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.692 2.063 -10.762 1.00 0.00 H new ATOM 1484 N THR A 95 -5.895 -0.511 -13.002 1.00 0.00 N ATOM 1485 CA THR A 95 -5.745 -0.869 -14.427 1.00 0.00 C ATOM 1486 C THR A 95 -4.337 -0.711 -14.993 1.00 0.00 C ATOM 1487 O THR A 95 -4.084 -1.122 -16.130 1.00 0.00 O ATOM 1488 CB THR A 95 -6.731 -0.065 -15.289 1.00 0.00 C ATOM 1489 OG1 THR A 95 -6.633 1.313 -14.976 1.00 0.00 O ATOM 1490 CG2 THR A 95 -8.178 -0.495 -15.039 1.00 0.00 C ATOM 0 H THR A 95 -6.302 0.415 -12.872 1.00 0.00 H new ATOM 0 HA THR A 95 -5.966 -1.936 -14.467 1.00 0.00 H new ATOM 0 HB THR A 95 -6.472 -0.251 -16.331 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.263 1.820 -15.530 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.846 0.095 -15.666 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.291 -1.551 -15.282 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.429 -0.335 -13.990 1.00 0.00 H new ATOM 1498 N GLY A 96 -3.405 -0.146 -14.224 1.00 0.00 N ATOM 1499 CA GLY A 96 -2.028 0.049 -14.665 1.00 0.00 C ATOM 1500 C GLY A 96 -1.202 -1.246 -14.715 1.00 0.00 C ATOM 1501 O GLY A 96 -1.439 -2.185 -13.948 1.00 0.00 O ATOM 0 H GLY A 96 -3.586 0.189 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.035 0.503 -15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.538 0.755 -13.994 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.226 -1.292 -15.632 1.00 0.00 N ATOM 1506 CA LYS A 97 0.595 -2.474 -15.964 1.00 0.00 C ATOM 1507 C LYS A 97 2.096 -2.147 -15.984 1.00 0.00 C ATOM 1508 O LYS A 97 2.488 -0.980 -16.066 1.00 0.00 O ATOM 1509 CB LYS A 97 0.141 -3.053 -17.322 1.00 0.00 C ATOM 1510 CG LYS A 97 -1.318 -3.538 -17.316 1.00 0.00 C ATOM 1511 CD LYS A 97 -1.709 -4.141 -18.671 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.182 -4.569 -18.648 1.00 0.00 C ATOM 1513 NZ LYS A 97 -3.608 -5.140 -19.952 1.00 0.00 N ATOM 0 H LYS A 97 0.027 -0.475 -16.188 1.00 0.00 H new ATOM 0 HA LYS A 97 0.446 -3.220 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.261 -2.292 -18.093 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.792 -3.884 -17.591 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.453 -4.283 -16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.980 -2.704 -17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.546 -3.411 -19.464 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.075 -5.000 -18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.334 -5.307 -17.860 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.807 -3.710 -18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.609 -5.418 -19.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.486 -4.427 -20.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.028 -5.975 -20.171 1.00 0.00 H new ATOM 1527 N GLY A 98 2.935 -3.184 -15.940 1.00 0.00 N ATOM 1528 CA GLY A 98 4.398 -3.064 -15.988 1.00 0.00 C ATOM 1529 C GLY A 98 5.023 -2.540 -14.688 1.00 0.00 C ATOM 1530 O GLY A 98 4.490 -2.755 -13.595 1.00 0.00 O ATOM 0 H GLY A 98 2.613 -4.149 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.825 -4.040 -16.217 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.671 -2.397 -16.805 1.00 0.00 H new ATOM 1534 N GLN A 99 6.173 -1.870 -14.810 1.00 0.00 N ATOM 1535 CA GLN A 99 6.994 -1.391 -13.689 1.00 0.00 C ATOM 1536 C GLN A 99 7.245 0.125 -13.743 1.00 0.00 C ATOM 1537 O GLN A 99 7.443 0.706 -14.813 1.00 0.00 O ATOM 1538 CB GLN A 99 8.344 -2.129 -13.667 1.00 0.00 C ATOM 1539 CG GLN A 99 8.223 -3.653 -13.529 1.00 0.00 C ATOM 1540 CD GLN A 99 9.603 -4.296 -13.410 1.00 0.00 C ATOM 1541 OE1 GLN A 99 10.224 -4.693 -14.388 1.00 0.00 O ATOM 1542 NE2 GLN A 99 10.145 -4.401 -12.219 1.00 0.00 N ATOM 0 H GLN A 99 6.572 -1.638 -15.719 1.00 0.00 H new ATOM 0 HA GLN A 99 6.434 -1.601 -12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.886 -1.900 -14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.942 -1.746 -12.840 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.626 -3.897 -12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.700 -4.061 -14.394 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.637 -4.074 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.074 -4.810 -12.116 1.00 0.00 H new ATOM 1551 N ASP A 100 7.310 0.748 -12.566 1.00 0.00 N ATOM 1552 CA ASP A 100 7.836 2.098 -12.328 1.00 0.00 C ATOM 1553 C ASP A 100 8.441 2.154 -10.912 1.00 0.00 C ATOM 1554 O ASP A 100 7.867 1.593 -9.977 1.00 0.00 O ATOM 1555 CB ASP A 100 6.718 3.139 -12.497 1.00 0.00 C ATOM 1556 CG ASP A 100 7.229 4.574 -12.281 1.00 0.00 C ATOM 1557 OD1 ASP A 100 8.238 4.958 -12.919 1.00 0.00 O ATOM 1558 OD2 ASP A 100 6.622 5.321 -11.479 1.00 0.00 O ATOM 0 H ASP A 100 6.981 0.305 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 100 8.615 2.329 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.291 3.053 -13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.917 2.929 -11.788 1.00 0.00 H new ATOM 1563 N GLY A 101 9.607 2.786 -10.745 1.00 0.00 N ATOM 1564 CA GLY A 101 10.373 2.754 -9.494 1.00 0.00 C ATOM 1565 C GLY A 101 11.790 3.318 -9.636 1.00 0.00 C ATOM 1566 O GLY A 101 12.063 4.121 -10.532 1.00 0.00 O ATOM 0 H GLY A 101 10.050 3.338 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.838 3.323 -8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.433 1.725 -9.139 1.00 0.00 H new ATOM 1570 N ILE A 102 12.694 2.892 -8.748 1.00 0.00 N ATOM 1571 CA ILE A 102 14.103 3.319 -8.706 1.00 0.00 C ATOM 1572 C ILE A 102 15.056 2.140 -8.455 1.00 0.00 C ATOM 1573 O ILE A 102 14.636 1.071 -8.009 1.00 0.00 O ATOM 1574 CB ILE A 102 14.246 4.490 -7.698 1.00 0.00 C ATOM 1575 CG1 ILE A 102 15.517 5.331 -7.953 1.00 0.00 C ATOM 1576 CG2 ILE A 102 14.175 4.018 -6.234 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.518 6.680 -7.222 1.00 0.00 C ATOM 0 H ILE A 102 12.462 2.221 -8.016 1.00 0.00 H new ATOM 0 HA ILE A 102 14.407 3.696 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 102 13.387 5.139 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.390 4.758 -7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.617 5.508 -9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.280 4.876 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.215 3.535 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.980 3.309 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.440 7.215 -7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.665 7.273 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.450 6.511 -6.147 1.00 0.00 H new ATOM 1589 N GLY A 103 16.346 2.334 -8.742 1.00 0.00 N ATOM 1590 CA GLY A 103 17.446 1.495 -8.257 1.00 0.00 C ATOM 1591 C GLY A 103 18.254 2.250 -7.196 1.00 0.00 C ATOM 1592 O GLY A 103 18.910 3.244 -7.513 1.00 0.00 O ATOM 0 H GLY A 103 16.663 3.101 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.051 0.571 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.094 1.215 -9.088 1.00 0.00 H new ATOM 1596 N SER A 104 18.194 1.805 -5.938 1.00 0.00 N ATOM 1597 CA SER A 104 18.765 2.515 -4.776 1.00 0.00 C ATOM 1598 C SER A 104 20.231 2.171 -4.460 1.00 0.00 C ATOM 1599 O SER A 104 20.849 2.834 -3.621 1.00 0.00 O ATOM 1600 CB SER A 104 17.880 2.278 -3.545 1.00 0.00 C ATOM 1601 OG SER A 104 17.696 0.886 -3.327 1.00 0.00 O ATOM 0 H SER A 104 17.741 0.926 -5.688 1.00 0.00 H new ATOM 0 HA SER A 104 18.778 3.571 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.339 2.732 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.913 2.761 -3.686 1.00 0.00 H new ATOM 0 HG SER A 104 16.742 0.669 -3.385 1.00 0.00 H new ATOM 1607 N LYS A 105 20.814 1.162 -5.125 1.00 0.00 N ATOM 1608 CA LYS A 105 22.213 0.733 -4.939 1.00 0.00 C ATOM 1609 C LYS A 105 23.200 1.806 -5.424 1.00 0.00 C ATOM 1610 O LYS A 105 23.060 2.329 -6.529 1.00 0.00 O ATOM 1611 CB LYS A 105 22.425 -0.620 -5.647 1.00 0.00 C ATOM 1612 CG LYS A 105 23.778 -1.266 -5.308 1.00 0.00 C ATOM 1613 CD LYS A 105 23.929 -2.630 -5.996 1.00 0.00 C ATOM 1614 CE LYS A 105 25.269 -3.274 -5.613 1.00 0.00 C ATOM 1615 NZ LYS A 105 25.441 -4.603 -6.257 1.00 0.00 N ATOM 0 H LYS A 105 20.317 0.608 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 105 22.412 0.601 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.622 -1.301 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 105 22.357 -0.475 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.588 -0.606 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 105 23.865 -1.388 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.107 -3.284 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.872 -2.508 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 105 26.087 -2.617 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.324 -3.384 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.356 -5.009 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.674 -5.237 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.413 -4.494 -7.291 1.00 0.00 H new ATOM 1629 N ALA A 106 24.234 2.092 -4.629 1.00 0.00 N ATOM 1630 CA ALA A 106 25.228 3.137 -4.920 1.00 0.00 C ATOM 1631 C ALA A 106 26.122 2.846 -6.143 1.00 0.00 C ATOM 1632 O ALA A 106 26.725 3.765 -6.702 1.00 0.00 O ATOM 1633 CB ALA A 106 26.062 3.360 -3.652 1.00 0.00 C ATOM 0 H ALA A 106 24.410 1.600 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 106 24.690 4.043 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 106 26.809 4.131 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 106 25.409 3.676 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 106 26.561 2.431 -3.377 1.00 0.00 H new ATOM 1639 N GLU A 107 26.185 1.588 -6.588 1.00 0.00 N ATOM 1640 CA GLU A 107 26.968 1.160 -7.757 1.00 0.00 C ATOM 1641 C GLU A 107 26.193 1.235 -9.093 1.00 0.00 C ATOM 1642 O GLU A 107 26.765 0.949 -10.151 1.00 0.00 O ATOM 1643 CB GLU A 107 27.513 -0.262 -7.521 1.00 0.00 C ATOM 1644 CG GLU A 107 28.369 -0.425 -6.253 1.00 0.00 C ATOM 1645 CD GLU A 107 29.618 0.479 -6.260 1.00 0.00 C ATOM 1646 OE1 GLU A 107 30.535 0.250 -7.087 1.00 0.00 O ATOM 1647 OE2 GLU A 107 29.703 1.415 -5.428 1.00 0.00 O ATOM 0 H GLU A 107 25.684 0.821 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 107 27.792 1.867 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.672 -0.953 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 107 28.110 -0.555 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.762 -0.193 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 107 28.679 -1.466 -6.160 1.00 0.00 H new ATOM 1654 N LYS A 108 24.900 1.601 -9.066 1.00 0.00 N ATOM 1655 CA LYS A 108 24.017 1.689 -10.245 1.00 0.00 C ATOM 1656 C LYS A 108 24.333 2.915 -11.122 1.00 0.00 C ATOM 1657 O LYS A 108 24.387 4.048 -10.592 1.00 0.00 O ATOM 1658 CB LYS A 108 22.551 1.656 -9.774 1.00 0.00 C ATOM 1659 CG LYS A 108 21.477 1.619 -10.877 1.00 0.00 C ATOM 1660 CD LYS A 108 21.420 0.323 -11.708 1.00 0.00 C ATOM 1661 CE LYS A 108 22.371 0.338 -12.914 1.00 0.00 C ATOM 1662 NZ LYS A 108 22.233 -0.892 -13.738 1.00 0.00 N ATOM 1663 OXT LYS A 108 24.521 2.732 -12.347 1.00 0.00 O ATOM 0 H LYS A 108 24.425 1.851 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 108 24.196 0.828 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 108 22.417 0.782 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 108 22.372 2.533 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 108 20.502 1.776 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 108 21.648 2.456 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 108 21.668 -0.523 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 108 20.400 0.168 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 108 22.164 1.214 -13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 108 23.400 0.429 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.890 -0.846 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 22.454 -1.726 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.258 -0.965 -14.091 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 7.065 -2.927 -7.935 1.00 0.00 ZN