USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=29 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 41 SER OG : rot 180:sc= 0.67 USER MOD Set 1.2: A 43 MET CE :methyl 169:sc= -0.0481 (180deg=-0.279) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.515 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.351) USER MOD Set 3.1: A 9 TYR OH : rot -19:sc= 1.67 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.797 K(o=2.5,f=-0.37) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.22 (180deg=1.15) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -130:sc= 0.149 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 2.21 (180deg=2.2) USER MOD Single : A 13 TYR OH : rot -13:sc= 1.78 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 3.23 (180deg=2.97) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= 0.0388 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 2.04 (180deg=1.94) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -143:sc=-0.00548 (180deg=-0.317) USER MOD Single : A 38 MET CE :methyl 156:sc= -1.12 (180deg=-2.48!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 1.47 (180deg=1.45) USER MOD Single : A 50 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.41) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 2.37 (180deg=1.93) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 82 GLN : amide:sc= 0.977 K(o=0.98,f=-0.33) USER MOD Single : A 83 GLN : amide:sc= 0.836 K(o=0.84,f=-0.49) USER MOD Single : A 84 LYS NZ :NH3+ -137:sc= 1.19 (180deg=0.371) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.389 K(o=0.39,f=-4.4!) USER MOD Single : A 104 SER OG : rot 100:sc= 0.752 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 -0.617 3.669 20.052 1.00 0.00 N ATOM 2 CA MET A 1 0.096 3.293 21.300 1.00 0.00 C ATOM 3 C MET A 1 1.058 2.121 21.068 1.00 0.00 C ATOM 4 O MET A 1 2.271 2.305 21.170 1.00 0.00 O ATOM 5 CB MET A 1 -0.886 3.028 22.462 1.00 0.00 C ATOM 6 CG MET A 1 -0.177 2.755 23.798 1.00 0.00 C ATOM 7 SD MET A 1 0.959 4.051 24.381 1.00 0.00 S ATOM 8 CE MET A 1 -0.216 5.361 24.825 1.00 0.00 C ATOM 0 H1 MET A 1 -1.221 4.496 20.233 1.00 0.00 H new ATOM 0 H2 MET A 1 0.076 3.901 19.313 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.207 2.873 19.736 1.00 0.00 H new ATOM 0 HA MET A 1 0.706 4.145 21.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.545 3.888 22.576 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.516 2.175 22.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.937 2.595 24.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.383 1.824 23.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.329 6.227 25.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.790 5.648 23.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.894 4.996 25.597 1.00 0.00 H new ATOM 20 N ALA A 2 0.541 0.925 20.759 1.00 0.00 N ATOM 21 CA ALA A 2 1.305 -0.317 20.576 1.00 0.00 C ATOM 22 C ALA A 2 0.806 -1.189 19.395 1.00 0.00 C ATOM 23 O ALA A 2 1.272 -2.314 19.209 1.00 0.00 O ATOM 24 CB ALA A 2 1.285 -1.083 21.908 1.00 0.00 C ATOM 0 H ALA A 2 -0.461 0.790 20.624 1.00 0.00 H new ATOM 0 HA ALA A 2 2.328 -0.059 20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.846 -2.012 21.802 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.740 -0.471 22.687 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.255 -1.310 22.181 1.00 0.00 H new ATOM 30 N GLU A 3 -0.133 -0.688 18.583 1.00 0.00 N ATOM 31 CA GLU A 3 -0.811 -1.402 17.483 1.00 0.00 C ATOM 32 C GLU A 3 0.032 -1.503 16.194 1.00 0.00 C ATOM 33 O GLU A 3 -0.466 -1.396 15.068 1.00 0.00 O ATOM 34 CB GLU A 3 -2.208 -0.794 17.228 1.00 0.00 C ATOM 35 CG GLU A 3 -3.088 -0.614 18.480 1.00 0.00 C ATOM 36 CD GLU A 3 -3.024 0.818 19.051 1.00 0.00 C ATOM 37 OE1 GLU A 3 -1.932 1.255 19.492 1.00 0.00 O ATOM 38 OE2 GLU A 3 -4.061 1.523 19.063 1.00 0.00 O ATOM 0 H GLU A 3 -0.460 0.274 18.676 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.940 -2.435 17.807 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.081 0.178 16.751 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.739 -1.430 16.520 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.121 -0.856 18.231 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.771 -1.321 19.247 1.00 0.00 H new ATOM 45 N SER A 4 1.335 -1.714 16.365 1.00 0.00 N ATOM 46 CA SER A 4 2.380 -1.749 15.339 1.00 0.00 C ATOM 47 C SER A 4 2.107 -2.720 14.183 1.00 0.00 C ATOM 48 O SER A 4 2.487 -2.431 13.048 1.00 0.00 O ATOM 49 CB SER A 4 3.676 -2.172 16.034 1.00 0.00 C ATOM 50 OG SER A 4 4.069 -1.188 16.981 1.00 0.00 O ATOM 0 H SER A 4 1.719 -1.878 17.295 1.00 0.00 H new ATOM 0 HA SER A 4 2.430 -0.757 14.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.534 -3.131 16.533 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.465 -2.311 15.295 1.00 0.00 H new ATOM 0 HG SER A 4 4.898 -1.470 17.421 1.00 0.00 H new ATOM 56 N SER A 5 1.424 -3.840 14.444 1.00 0.00 N ATOM 57 CA SER A 5 1.168 -4.907 13.462 1.00 0.00 C ATOM 58 C SER A 5 -0.253 -5.475 13.471 1.00 0.00 C ATOM 59 O SER A 5 -0.498 -6.565 12.946 1.00 0.00 O ATOM 60 CB SER A 5 2.251 -5.984 13.589 1.00 0.00 C ATOM 61 OG SER A 5 2.195 -6.699 14.816 1.00 0.00 O ATOM 0 H SER A 5 1.024 -4.037 15.362 1.00 0.00 H new ATOM 0 HA SER A 5 1.231 -4.450 12.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.152 -6.687 12.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.231 -5.516 13.494 1.00 0.00 H new ATOM 0 HG SER A 5 3.085 -6.718 15.225 1.00 0.00 H new ATOM 67 N ASP A 6 -1.211 -4.729 14.028 1.00 0.00 N ATOM 68 CA ASP A 6 -2.600 -5.172 14.219 1.00 0.00 C ATOM 69 C ASP A 6 -3.523 -4.879 13.009 1.00 0.00 C ATOM 70 O ASP A 6 -4.670 -4.448 13.149 1.00 0.00 O ATOM 71 CB ASP A 6 -3.122 -4.630 15.562 1.00 0.00 C ATOM 72 CG ASP A 6 -4.438 -5.292 16.016 1.00 0.00 C ATOM 73 OD1 ASP A 6 -4.574 -6.534 15.888 1.00 0.00 O ATOM 74 OD2 ASP A 6 -5.321 -4.583 16.555 1.00 0.00 O ATOM 0 H ASP A 6 -1.042 -3.782 14.366 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.613 -6.261 14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.362 -4.784 16.328 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.275 -3.554 15.477 1.00 0.00 H new ATOM 79 N LYS A 7 -2.983 -5.073 11.800 1.00 0.00 N ATOM 80 CA LYS A 7 -3.591 -4.860 10.480 1.00 0.00 C ATOM 81 C LYS A 7 -3.093 -5.923 9.503 1.00 0.00 C ATOM 82 O LYS A 7 -2.253 -6.756 9.860 1.00 0.00 O ATOM 83 CB LYS A 7 -3.332 -3.421 9.994 1.00 0.00 C ATOM 84 CG LYS A 7 -1.869 -2.980 10.119 1.00 0.00 C ATOM 85 CD LYS A 7 -1.660 -2.064 11.329 1.00 0.00 C ATOM 86 CE LYS A 7 -0.200 -1.608 11.409 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.033 -0.508 12.391 1.00 0.00 N ATOM 0 H LYS A 7 -2.025 -5.413 11.712 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.673 -4.971 10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.639 -3.339 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.958 -2.736 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.230 -3.858 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.566 -2.459 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.315 -1.196 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.934 -2.591 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.432 -2.450 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.134 -1.275 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.971 -0.243 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.592 0.315 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.361 -0.824 13.326 1.00 0.00 H new ATOM 101 N LEU A 8 -3.582 -5.887 8.271 1.00 0.00 N ATOM 102 CA LEU A 8 -3.093 -6.671 7.137 1.00 0.00 C ATOM 103 C LEU A 8 -2.325 -5.819 6.132 1.00 0.00 C ATOM 104 O LEU A 8 -1.502 -6.357 5.396 1.00 0.00 O ATOM 105 CB LEU A 8 -4.300 -7.276 6.409 1.00 0.00 C ATOM 106 CG LEU A 8 -5.172 -8.229 7.235 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.391 -8.578 6.388 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.415 -9.503 7.605 1.00 0.00 C ATOM 0 H LEU A 8 -4.366 -5.284 8.020 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.420 -7.434 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.928 -6.461 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.939 -7.813 5.532 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.462 -7.746 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.038 -9.257 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.941 -7.668 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.067 -9.059 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.064 -10.155 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.106 -10.019 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.534 -9.245 8.193 1.00 0.00 H new ATOM 120 N TYR A 9 -2.600 -4.516 6.083 1.00 0.00 N ATOM 121 CA TYR A 9 -2.265 -3.662 4.949 1.00 0.00 C ATOM 122 C TYR A 9 -1.730 -2.308 5.429 1.00 0.00 C ATOM 123 O TYR A 9 -2.051 -1.839 6.522 1.00 0.00 O ATOM 124 CB TYR A 9 -3.507 -3.492 4.050 1.00 0.00 C ATOM 125 CG TYR A 9 -4.204 -4.761 3.580 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.464 -5.804 2.998 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.600 -4.895 3.719 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.099 -6.992 2.587 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.243 -6.086 3.323 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.491 -7.141 2.761 1.00 0.00 C ATOM 131 OH TYR A 9 -6.111 -8.294 2.390 1.00 0.00 O ATOM 0 H TYR A 9 -3.068 -4.019 6.841 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.475 -4.132 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.235 -2.887 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.211 -2.923 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.398 -5.694 2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.180 -4.082 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.521 -7.787 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.310 -6.191 3.450 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.541 -8.784 1.761 1.00 0.00 H new ATOM 141 N ARG A 10 -0.915 -1.667 4.594 1.00 0.00 N ATOM 142 CA ARG A 10 -0.274 -0.364 4.829 1.00 0.00 C ATOM 143 C ARG A 10 -0.296 0.448 3.533 1.00 0.00 C ATOM 144 O ARG A 10 -0.172 -0.136 2.460 1.00 0.00 O ATOM 145 CB ARG A 10 1.158 -0.616 5.352 1.00 0.00 C ATOM 146 CG ARG A 10 2.153 0.565 5.374 1.00 0.00 C ATOM 147 CD ARG A 10 1.760 1.637 6.403 1.00 0.00 C ATOM 148 NE ARG A 10 2.647 2.818 6.413 1.00 0.00 N ATOM 149 CZ ARG A 10 2.435 3.918 7.123 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.504 4.036 8.015 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.152 4.988 6.980 1.00 0.00 N ATOM 0 H ARG A 10 -0.667 -2.059 3.685 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.809 0.218 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.077 -1.000 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.597 -1.408 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.151 0.192 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.201 1.016 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.740 1.964 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.759 1.188 7.396 1.00 0.00 H new ATOM 0 HE ARG A 10 3.484 2.785 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.879 3.253 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.396 4.912 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.913 5.005 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.955 5.813 7.546 1.00 0.00 H new ATOM 165 N VAL A 11 -0.430 1.769 3.618 1.00 0.00 N ATOM 166 CA VAL A 11 -0.274 2.727 2.509 1.00 0.00 C ATOM 167 C VAL A 11 0.414 4.001 3.001 1.00 0.00 C ATOM 168 O VAL A 11 0.179 4.435 4.127 1.00 0.00 O ATOM 169 CB VAL A 11 -1.645 3.031 1.872 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.529 3.967 2.709 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.504 3.679 0.488 1.00 0.00 C ATOM 0 H VAL A 11 -0.661 2.229 4.499 1.00 0.00 H new ATOM 0 HA VAL A 11 0.360 2.285 1.740 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.120 2.052 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.475 4.132 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.720 3.514 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.020 4.921 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.494 3.876 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.956 4.617 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.962 3.005 -0.176 1.00 0.00 H new ATOM 181 N GLU A 12 1.266 4.612 2.177 1.00 0.00 N ATOM 182 CA GLU A 12 1.861 5.919 2.473 1.00 0.00 C ATOM 183 C GLU A 12 2.429 6.647 1.260 1.00 0.00 C ATOM 184 O GLU A 12 2.834 6.047 0.263 1.00 0.00 O ATOM 185 CB GLU A 12 2.979 5.787 3.529 1.00 0.00 C ATOM 186 CG GLU A 12 4.224 4.999 3.073 1.00 0.00 C ATOM 187 CD GLU A 12 5.395 5.095 4.062 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.189 5.507 5.228 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.538 4.779 3.661 1.00 0.00 O ATOM 0 H GLU A 12 1.564 4.216 1.285 1.00 0.00 H new ATOM 0 HA GLU A 12 1.032 6.518 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.292 6.787 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.566 5.302 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.954 3.951 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.546 5.372 2.101 1.00 0.00 H new ATOM 196 N TYR A 13 2.576 7.959 1.438 1.00 0.00 N ATOM 197 CA TYR A 13 3.633 8.726 0.796 1.00 0.00 C ATOM 198 C TYR A 13 4.979 8.342 1.432 1.00 0.00 C ATOM 199 O TYR A 13 5.158 8.427 2.652 1.00 0.00 O ATOM 200 CB TYR A 13 3.320 10.221 0.934 1.00 0.00 C ATOM 201 CG TYR A 13 1.945 10.656 0.440 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.317 10.001 -0.642 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.294 11.738 1.066 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.089 10.472 -1.142 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.049 12.192 0.588 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.544 11.574 -0.533 1.00 0.00 C ATOM 207 OH TYR A 13 -1.730 12.031 -1.011 1.00 0.00 O ATOM 0 H TYR A 13 1.963 8.517 2.033 1.00 0.00 H new ATOM 0 HA TYR A 13 3.695 8.503 -0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.413 10.498 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.077 10.784 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.782 9.134 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.752 12.221 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.369 9.989 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.451 13.013 1.080 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.905 11.631 -1.889 1.00 0.00 H new ATOM 217 N ALA A 14 5.899 7.857 0.603 1.00 0.00 N ATOM 218 CA ALA A 14 7.146 7.218 1.001 1.00 0.00 C ATOM 219 C ALA A 14 8.110 8.179 1.722 1.00 0.00 C ATOM 220 O ALA A 14 8.396 9.272 1.226 1.00 0.00 O ATOM 221 CB ALA A 14 7.761 6.619 -0.267 1.00 0.00 C ATOM 0 H ALA A 14 5.789 7.902 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 14 6.947 6.438 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.701 6.127 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.073 5.890 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.947 7.412 -0.991 1.00 0.00 H new ATOM 227 N LYS A 15 8.639 7.752 2.879 1.00 0.00 N ATOM 228 CA LYS A 15 9.492 8.575 3.764 1.00 0.00 C ATOM 229 C LYS A 15 10.969 8.594 3.357 1.00 0.00 C ATOM 230 O LYS A 15 11.632 9.626 3.475 1.00 0.00 O ATOM 231 CB LYS A 15 9.357 8.084 5.220 1.00 0.00 C ATOM 232 CG LYS A 15 7.915 7.991 5.745 1.00 0.00 C ATOM 233 CD LYS A 15 7.137 9.310 5.611 1.00 0.00 C ATOM 234 CE LYS A 15 5.746 9.214 6.242 1.00 0.00 C ATOM 235 NZ LYS A 15 4.871 8.258 5.522 1.00 0.00 N ATOM 0 H LYS A 15 8.486 6.809 3.236 1.00 0.00 H new ATOM 0 HA LYS A 15 9.135 9.601 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.821 7.101 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.920 8.756 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.387 7.208 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.935 7.693 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.698 10.113 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.041 9.570 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.841 8.904 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.281 10.200 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.911 8.300 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.840 8.508 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.248 7.295 5.628 1.00 0.00 H new ATOM 249 N SER A 16 11.478 7.461 2.876 1.00 0.00 N ATOM 250 CA SER A 16 12.877 7.243 2.475 1.00 0.00 C ATOM 251 C SER A 16 12.976 6.122 1.432 1.00 0.00 C ATOM 252 O SER A 16 12.123 5.231 1.388 1.00 0.00 O ATOM 253 CB SER A 16 13.731 6.911 3.703 1.00 0.00 C ATOM 254 OG SER A 16 15.101 6.936 3.348 1.00 0.00 O ATOM 0 H SER A 16 10.904 6.628 2.747 1.00 0.00 H new ATOM 0 HA SER A 16 13.254 8.160 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.538 7.631 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.463 5.928 4.090 1.00 0.00 H new ATOM 0 HG SER A 16 15.647 6.725 4.134 1.00 0.00 H new ATOM 260 N GLY A 17 14.021 6.144 0.602 1.00 0.00 N ATOM 261 CA GLY A 17 14.221 5.238 -0.541 1.00 0.00 C ATOM 262 C GLY A 17 14.669 3.807 -0.200 1.00 0.00 C ATOM 263 O GLY A 17 15.097 3.073 -1.093 1.00 0.00 O ATOM 0 H GLY A 17 14.781 6.816 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.288 5.181 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.964 5.681 -1.204 1.00 0.00 H new ATOM 267 N ARG A 18 14.627 3.413 1.082 1.00 0.00 N ATOM 268 CA ARG A 18 15.186 2.146 1.601 1.00 0.00 C ATOM 269 C ARG A 18 14.316 0.909 1.335 1.00 0.00 C ATOM 270 O ARG A 18 14.834 -0.208 1.371 1.00 0.00 O ATOM 271 CB ARG A 18 15.459 2.279 3.113 1.00 0.00 C ATOM 272 CG ARG A 18 16.391 3.434 3.521 1.00 0.00 C ATOM 273 CD ARG A 18 17.774 3.364 2.861 1.00 0.00 C ATOM 274 NE ARG A 18 18.660 4.440 3.352 1.00 0.00 N ATOM 275 CZ ARG A 18 19.448 4.412 4.414 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.533 3.369 5.195 1.00 0.00 N ATOM 277 NH2 ARG A 18 20.175 5.447 4.720 1.00 0.00 N ATOM 0 H ARG A 18 14.192 3.980 1.810 1.00 0.00 H new ATOM 0 HA ARG A 18 16.112 1.980 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.506 2.406 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.891 1.344 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.919 4.381 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.513 3.427 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.228 2.395 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.667 3.444 1.779 1.00 0.00 H new ATOM 0 HE ARG A 18 18.664 5.304 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.979 2.536 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.153 3.387 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.139 6.285 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.781 5.420 5.540 1.00 0.00 H new ATOM 291 N ALA A 19 13.015 1.082 1.085 1.00 0.00 N ATOM 292 CA ALA A 19 12.091 -0.027 0.846 1.00 0.00 C ATOM 293 C ALA A 19 12.290 -0.659 -0.544 1.00 0.00 C ATOM 294 O ALA A 19 12.528 0.036 -1.536 1.00 0.00 O ATOM 295 CB ALA A 19 10.647 0.445 1.055 1.00 0.00 C ATOM 0 H ALA A 19 12.572 2.000 1.043 1.00 0.00 H new ATOM 0 HA ALA A 19 12.308 -0.813 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.963 -0.385 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.525 0.801 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.425 1.255 0.360 1.00 0.00 H new ATOM 301 N SER A 20 12.138 -1.981 -0.616 1.00 0.00 N ATOM 302 CA SER A 20 12.233 -2.780 -1.845 1.00 0.00 C ATOM 303 C SER A 20 10.881 -3.389 -2.210 1.00 0.00 C ATOM 304 O SER A 20 10.145 -3.848 -1.331 1.00 0.00 O ATOM 305 CB SER A 20 13.334 -3.842 -1.738 1.00 0.00 C ATOM 306 OG SER A 20 13.101 -4.746 -0.664 1.00 0.00 O ATOM 0 H SER A 20 11.938 -2.549 0.207 1.00 0.00 H new ATOM 0 HA SER A 20 12.516 -2.112 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.393 -4.398 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.297 -3.352 -1.597 1.00 0.00 H new ATOM 0 HG SER A 20 13.823 -5.408 -0.631 1.00 0.00 H new ATOM 312 N CYS A 21 10.552 -3.392 -3.502 1.00 0.00 N ATOM 313 CA CYS A 21 9.302 -3.930 -4.024 1.00 0.00 C ATOM 314 C CYS A 21 9.380 -5.458 -4.129 1.00 0.00 C ATOM 315 O CYS A 21 10.165 -6.016 -4.903 1.00 0.00 O ATOM 316 CB CYS A 21 9.017 -3.252 -5.362 1.00 0.00 C ATOM 317 SG CYS A 21 7.360 -3.720 -5.979 1.00 0.00 S ATOM 0 H CYS A 21 11.161 -3.012 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 21 8.472 -3.719 -3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.076 -2.170 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.776 -3.538 -6.090 1.00 0.00 H new ATOM 322 N LYS A 22 8.554 -6.150 -3.341 1.00 0.00 N ATOM 323 CA LYS A 22 8.565 -7.623 -3.222 1.00 0.00 C ATOM 324 C LYS A 22 7.916 -8.332 -4.422 1.00 0.00 C ATOM 325 O LYS A 22 7.944 -9.562 -4.501 1.00 0.00 O ATOM 326 CB LYS A 22 7.888 -8.038 -1.902 1.00 0.00 C ATOM 327 CG LYS A 22 8.392 -7.309 -0.656 1.00 0.00 C ATOM 328 CD LYS A 22 9.753 -7.836 -0.199 1.00 0.00 C ATOM 329 CE LYS A 22 10.238 -7.068 1.029 1.00 0.00 C ATOM 330 NZ LYS A 22 10.761 -5.719 0.688 1.00 0.00 N ATOM 0 H LYS A 22 7.847 -5.704 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 22 9.607 -7.942 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.815 -7.869 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.031 -9.109 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.467 -6.242 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.668 -7.425 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.679 -8.898 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.478 -7.737 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.416 -6.967 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.020 -7.642 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.806 -5.137 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.713 -5.809 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.130 -5.267 -0.004 1.00 0.00 H new ATOM 344 N LYS A 23 7.322 -7.561 -5.342 1.00 0.00 N ATOM 345 CA LYS A 23 6.562 -8.027 -6.514 1.00 0.00 C ATOM 346 C LYS A 23 7.359 -7.912 -7.820 1.00 0.00 C ATOM 347 O LYS A 23 7.494 -8.918 -8.518 1.00 0.00 O ATOM 348 CB LYS A 23 5.229 -7.260 -6.551 1.00 0.00 C ATOM 349 CG LYS A 23 4.370 -7.463 -7.809 1.00 0.00 C ATOM 350 CD LYS A 23 3.941 -8.908 -8.117 1.00 0.00 C ATOM 351 CE LYS A 23 3.100 -9.542 -7.001 1.00 0.00 C ATOM 352 NZ LYS A 23 2.633 -10.901 -7.389 1.00 0.00 N ATOM 0 H LYS A 23 7.359 -6.543 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 23 6.359 -9.094 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.640 -7.553 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.442 -6.196 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.472 -6.853 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.924 -7.081 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.369 -8.920 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.830 -9.516 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.690 -9.604 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.241 -8.907 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.758 -11.553 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.627 -10.861 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.187 -11.240 -8.201 1.00 0.00 H new ATOM 366 N CYS A 24 7.894 -6.727 -8.135 1.00 0.00 N ATOM 367 CA CYS A 24 8.652 -6.473 -9.372 1.00 0.00 C ATOM 368 C CYS A 24 10.191 -6.423 -9.178 1.00 0.00 C ATOM 369 O CYS A 24 10.942 -6.275 -10.147 1.00 0.00 O ATOM 370 CB CYS A 24 8.036 -5.283 -10.132 1.00 0.00 C ATOM 371 SG CYS A 24 8.489 -3.649 -9.435 1.00 0.00 S ATOM 0 H CYS A 24 7.814 -5.907 -7.534 1.00 0.00 H new ATOM 0 HA CYS A 24 8.546 -7.343 -10.021 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.354 -5.325 -11.174 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.951 -5.382 -10.126 1.00 0.00 H new ATOM 376 N SER A 25 10.662 -6.623 -7.939 1.00 0.00 N ATOM 377 CA SER A 25 12.081 -6.674 -7.530 1.00 0.00 C ATOM 378 C SER A 25 12.884 -5.383 -7.785 1.00 0.00 C ATOM 379 O SER A 25 14.117 -5.395 -7.803 1.00 0.00 O ATOM 380 CB SER A 25 12.785 -7.929 -8.073 1.00 0.00 C ATOM 381 OG SER A 25 12.087 -9.110 -7.699 1.00 0.00 O ATOM 0 H SER A 25 10.032 -6.762 -7.149 1.00 0.00 H new ATOM 0 HA SER A 25 12.056 -6.751 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.852 -7.871 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.806 -7.970 -7.693 1.00 0.00 H new ATOM 0 HG SER A 25 12.554 -9.893 -8.058 1.00 0.00 H new ATOM 387 N GLU A 26 12.193 -4.254 -7.952 1.00 0.00 N ATOM 388 CA GLU A 26 12.759 -2.899 -7.938 1.00 0.00 C ATOM 389 C GLU A 26 12.843 -2.358 -6.491 1.00 0.00 C ATOM 390 O GLU A 26 12.489 -3.052 -5.534 1.00 0.00 O ATOM 391 CB GLU A 26 11.894 -1.991 -8.834 1.00 0.00 C ATOM 392 CG GLU A 26 11.968 -2.359 -10.326 1.00 0.00 C ATOM 393 CD GLU A 26 11.139 -1.428 -11.244 1.00 0.00 C ATOM 394 OE1 GLU A 26 10.477 -0.474 -10.764 1.00 0.00 O ATOM 395 OE2 GLU A 26 11.175 -1.634 -12.483 1.00 0.00 O ATOM 0 H GLU A 26 11.185 -4.256 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 26 13.776 -2.917 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.857 -2.048 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.212 -0.956 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.010 -2.334 -10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.620 -3.384 -10.455 1.00 0.00 H new ATOM 402 N SER A 27 13.277 -1.107 -6.313 1.00 0.00 N ATOM 403 CA SER A 27 13.226 -0.388 -5.028 1.00 0.00 C ATOM 404 C SER A 27 12.462 0.936 -5.140 1.00 0.00 C ATOM 405 O SER A 27 12.293 1.489 -6.230 1.00 0.00 O ATOM 406 CB SER A 27 14.613 -0.223 -4.404 1.00 0.00 C ATOM 407 OG SER A 27 15.163 -1.488 -4.067 1.00 0.00 O ATOM 0 H SER A 27 13.681 -0.553 -7.068 1.00 0.00 H new ATOM 0 HA SER A 27 12.657 -1.010 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.273 0.292 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.545 0.399 -3.512 1.00 0.00 H new ATOM 0 HG SER A 27 16.051 -1.364 -3.671 1.00 0.00 H new ATOM 413 N ILE A 28 11.894 1.381 -4.016 1.00 0.00 N ATOM 414 CA ILE A 28 10.774 2.330 -3.971 1.00 0.00 C ATOM 415 C ILE A 28 11.257 3.695 -3.429 1.00 0.00 C ATOM 416 O ILE A 28 11.553 3.791 -2.233 1.00 0.00 O ATOM 417 CB ILE A 28 9.615 1.740 -3.131 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.217 0.297 -3.540 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.391 2.666 -3.262 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.299 -0.392 -2.522 1.00 0.00 C ATOM 0 H ILE A 28 12.206 1.086 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 28 10.393 2.499 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 28 9.965 1.680 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.717 0.326 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.121 -0.300 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.566 2.263 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.646 3.660 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.094 2.731 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.060 -1.397 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.805 -0.452 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.379 0.183 -2.414 1.00 0.00 H new ATOM 432 N PRO A 29 11.348 4.753 -4.263 1.00 0.00 N ATOM 433 CA PRO A 29 11.848 6.076 -3.869 1.00 0.00 C ATOM 434 C PRO A 29 10.895 6.833 -2.927 1.00 0.00 C ATOM 435 O PRO A 29 9.686 6.578 -2.909 1.00 0.00 O ATOM 436 CB PRO A 29 12.043 6.842 -5.182 1.00 0.00 C ATOM 437 CG PRO A 29 10.966 6.244 -6.085 1.00 0.00 C ATOM 438 CD PRO A 29 10.976 4.774 -5.674 1.00 0.00 C ATOM 0 HA PRO A 29 12.772 5.975 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.908 7.915 -5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.042 6.695 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.993 6.706 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.203 6.373 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.997 4.320 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.687 4.206 -6.274 1.00 0.00 H new ATOM 446 N LYS A 30 11.431 7.799 -2.168 1.00 0.00 N ATOM 447 CA LYS A 30 10.643 8.718 -1.327 1.00 0.00 C ATOM 448 C LYS A 30 9.800 9.705 -2.146 1.00 0.00 C ATOM 449 O LYS A 30 10.036 9.902 -3.339 1.00 0.00 O ATOM 450 CB LYS A 30 11.517 9.398 -0.260 1.00 0.00 C ATOM 451 CG LYS A 30 12.345 10.616 -0.708 1.00 0.00 C ATOM 452 CD LYS A 30 12.974 11.322 0.508 1.00 0.00 C ATOM 453 CE LYS A 30 11.925 12.139 1.283 1.00 0.00 C ATOM 454 NZ LYS A 30 12.280 12.295 2.715 1.00 0.00 N ATOM 0 H LYS A 30 12.436 7.968 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 30 9.916 8.111 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.870 9.711 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.202 8.652 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.129 10.297 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.709 11.314 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.423 10.581 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.777 11.980 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.824 13.124 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.954 11.650 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.581 12.908 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.284 11.362 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.224 12.724 2.794 1.00 0.00 H new ATOM 468 N ASP A 31 8.816 10.329 -1.494 1.00 0.00 N ATOM 469 CA ASP A 31 7.844 11.254 -2.108 1.00 0.00 C ATOM 470 C ASP A 31 7.068 10.636 -3.301 1.00 0.00 C ATOM 471 O ASP A 31 6.749 11.298 -4.291 1.00 0.00 O ATOM 472 CB ASP A 31 8.512 12.614 -2.392 1.00 0.00 C ATOM 473 CG ASP A 31 7.503 13.732 -2.717 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.479 13.859 -2.001 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.758 14.528 -3.654 1.00 0.00 O ATOM 0 H ASP A 31 8.664 10.205 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 31 7.049 11.446 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.104 12.909 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.204 12.504 -3.227 1.00 0.00 H new ATOM 480 N SER A 32 6.772 9.337 -3.192 1.00 0.00 N ATOM 481 CA SER A 32 5.951 8.533 -4.109 1.00 0.00 C ATOM 482 C SER A 32 4.985 7.651 -3.304 1.00 0.00 C ATOM 483 O SER A 32 5.157 7.497 -2.094 1.00 0.00 O ATOM 484 CB SER A 32 6.859 7.692 -5.012 1.00 0.00 C ATOM 485 OG SER A 32 6.097 7.104 -6.055 1.00 0.00 O ATOM 0 H SER A 32 7.121 8.781 -2.411 1.00 0.00 H new ATOM 0 HA SER A 32 5.357 9.189 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.646 8.317 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.349 6.915 -4.426 1.00 0.00 H new ATOM 0 HG SER A 32 6.685 6.570 -6.629 1.00 0.00 H new ATOM 491 N LEU A 33 3.955 7.084 -3.935 1.00 0.00 N ATOM 492 CA LEU A 33 2.914 6.306 -3.257 1.00 0.00 C ATOM 493 C LEU A 33 3.285 4.815 -3.223 1.00 0.00 C ATOM 494 O LEU A 33 3.586 4.212 -4.259 1.00 0.00 O ATOM 495 CB LEU A 33 1.558 6.573 -3.934 1.00 0.00 C ATOM 496 CG LEU A 33 0.372 5.918 -3.203 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.022 6.604 -1.885 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.879 5.984 -4.071 1.00 0.00 C ATOM 0 H LEU A 33 3.818 7.152 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 33 2.831 6.620 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.393 7.649 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.593 6.204 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 33 0.684 4.893 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.822 6.093 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.881 6.566 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.244 7.644 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.712 5.518 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.121 7.026 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.700 5.456 -5.007 1.00 0.00 H new ATOM 510 N ARG A 34 3.227 4.208 -2.034 1.00 0.00 N ATOM 511 CA ARG A 34 3.568 2.800 -1.790 1.00 0.00 C ATOM 512 C ARG A 34 2.646 2.163 -0.761 1.00 0.00 C ATOM 513 O ARG A 34 1.984 2.853 0.011 1.00 0.00 O ATOM 514 CB ARG A 34 5.060 2.669 -1.435 1.00 0.00 C ATOM 515 CG ARG A 34 5.504 3.239 -0.076 1.00 0.00 C ATOM 516 CD ARG A 34 7.021 3.034 0.070 1.00 0.00 C ATOM 517 NE ARG A 34 7.551 3.565 1.336 1.00 0.00 N ATOM 518 CZ ARG A 34 8.806 3.858 1.622 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.779 3.771 0.761 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.089 4.287 2.812 1.00 0.00 N ATOM 0 H ARG A 34 2.933 4.696 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 34 3.405 2.236 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.324 1.612 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.639 3.162 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.258 4.299 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.975 2.739 0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.247 1.970 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.530 3.519 -0.763 1.00 0.00 H new ATOM 0 HE ARG A 34 6.870 3.725 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.590 3.463 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.730 4.011 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.349 4.392 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.052 4.519 3.055 1.00 0.00 H new ATOM 534 N MET A 35 2.605 0.838 -0.774 1.00 0.00 N ATOM 535 CA MET A 35 1.784 -0.003 0.091 1.00 0.00 C ATOM 536 C MET A 35 2.618 -1.129 0.696 1.00 0.00 C ATOM 537 O MET A 35 3.700 -1.435 0.207 1.00 0.00 O ATOM 538 CB MET A 35 0.576 -0.551 -0.686 1.00 0.00 C ATOM 539 CG MET A 35 -0.456 0.538 -0.987 1.00 0.00 C ATOM 540 SD MET A 35 -1.960 0.001 -1.848 1.00 0.00 S ATOM 541 CE MET A 35 -2.859 -0.759 -0.467 1.00 0.00 C ATOM 0 H MET A 35 3.172 0.291 -1.421 1.00 0.00 H new ATOM 0 HA MET A 35 1.405 0.604 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.918 -0.995 -1.621 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.105 -1.347 -0.109 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.748 1.003 -0.045 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.026 1.310 -1.588 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.392 -1.641 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.153 -1.050 0.311 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.573 -0.043 -0.060 1.00 0.00 H new ATOM 551 N ALA A 36 2.135 -1.728 1.781 1.00 0.00 N ATOM 552 CA ALA A 36 2.788 -2.864 2.427 1.00 0.00 C ATOM 553 C ALA A 36 1.771 -3.898 2.931 1.00 0.00 C ATOM 554 O ALA A 36 0.581 -3.593 3.059 1.00 0.00 O ATOM 555 CB ALA A 36 3.737 -2.370 3.533 1.00 0.00 C ATOM 0 H ALA A 36 1.272 -1.437 2.241 1.00 0.00 H new ATOM 0 HA ALA A 36 3.392 -3.386 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.218 -3.225 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.497 -1.721 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.169 -1.813 4.278 1.00 0.00 H new ATOM 561 N ILE A 37 2.240 -5.111 3.238 1.00 0.00 N ATOM 562 CA ILE A 37 1.423 -6.203 3.784 1.00 0.00 C ATOM 563 C ILE A 37 2.022 -6.741 5.074 1.00 0.00 C ATOM 564 O ILE A 37 3.235 -6.889 5.177 1.00 0.00 O ATOM 565 CB ILE A 37 1.219 -7.296 2.713 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.137 -7.034 2.042 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.290 -8.736 3.240 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.319 -7.750 0.704 1.00 0.00 C ATOM 0 H ILE A 37 3.219 -5.368 3.112 1.00 0.00 H new ATOM 0 HA ILE A 37 0.437 -5.819 4.046 1.00 0.00 H new ATOM 0 HB ILE A 37 2.047 -7.226 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.932 -7.345 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.252 -5.961 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.135 -9.433 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.269 -8.913 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.516 -8.886 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.301 -7.513 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.452 -7.421 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.238 -8.827 0.853 1.00 0.00 H new ATOM 580 N MET A 38 1.170 -7.063 6.042 1.00 0.00 N ATOM 581 CA MET A 38 1.580 -7.542 7.355 1.00 0.00 C ATOM 582 C MET A 38 1.614 -9.073 7.379 1.00 0.00 C ATOM 583 O MET A 38 0.574 -9.721 7.506 1.00 0.00 O ATOM 584 CB MET A 38 0.629 -6.956 8.415 1.00 0.00 C ATOM 585 CG MET A 38 0.458 -5.427 8.384 1.00 0.00 C ATOM 586 SD MET A 38 1.585 -4.470 9.433 1.00 0.00 S ATOM 587 CE MET A 38 3.149 -4.952 8.675 1.00 0.00 C ATOM 0 H MET A 38 0.158 -6.997 5.933 1.00 0.00 H new ATOM 0 HA MET A 38 2.592 -7.207 7.583 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.352 -7.416 8.291 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.993 -7.243 9.402 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.580 -5.090 7.355 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.565 -5.191 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.899 -4.186 8.870 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.481 -5.900 9.097 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.013 -5.062 7.599 1.00 0.00 H new ATOM 597 N VAL A 39 2.815 -9.654 7.299 1.00 0.00 N ATOM 598 CA VAL A 39 3.031 -11.110 7.425 1.00 0.00 C ATOM 599 C VAL A 39 3.631 -11.469 8.783 1.00 0.00 C ATOM 600 O VAL A 39 4.516 -10.782 9.287 1.00 0.00 O ATOM 601 CB VAL A 39 3.836 -11.682 6.243 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.221 -11.054 6.094 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.990 -13.206 6.323 1.00 0.00 C ATOM 0 H VAL A 39 3.675 -9.128 7.144 1.00 0.00 H new ATOM 0 HA VAL A 39 2.054 -11.591 7.379 1.00 0.00 H new ATOM 0 HB VAL A 39 3.246 -11.425 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.734 -11.502 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.118 -9.981 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.800 -11.230 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.565 -13.559 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.510 -13.471 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.005 -13.672 6.316 1.00 0.00 H new ATOM 613 N GLN A 40 3.134 -12.539 9.398 1.00 0.00 N ATOM 614 CA GLN A 40 3.598 -13.035 10.699 1.00 0.00 C ATOM 615 C GLN A 40 5.043 -13.556 10.616 1.00 0.00 C ATOM 616 O GLN A 40 5.367 -14.395 9.774 1.00 0.00 O ATOM 617 CB GLN A 40 2.614 -14.079 11.262 1.00 0.00 C ATOM 618 CG GLN A 40 2.041 -15.049 10.211 1.00 0.00 C ATOM 619 CD GLN A 40 1.277 -16.203 10.859 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.782 -17.307 11.023 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.040 -16.000 11.266 1.00 0.00 N ATOM 0 H GLN A 40 2.381 -13.100 9.000 1.00 0.00 H new ATOM 0 HA GLN A 40 3.617 -12.204 11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.121 -14.658 12.034 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.788 -13.557 11.745 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.377 -14.506 9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.853 -15.447 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.396 -15.087 11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.481 -16.756 11.710 1.00 0.00 H new ATOM 630 N SER A 41 5.917 -13.042 11.487 1.00 0.00 N ATOM 631 CA SER A 41 7.363 -13.287 11.442 1.00 0.00 C ATOM 632 C SER A 41 7.825 -14.381 12.408 1.00 0.00 C ATOM 633 O SER A 41 7.441 -14.362 13.582 1.00 0.00 O ATOM 634 CB SER A 41 8.113 -11.990 11.729 1.00 0.00 C ATOM 635 OG SER A 41 9.515 -12.211 11.707 1.00 0.00 O ATOM 0 H SER A 41 5.635 -12.434 12.256 1.00 0.00 H new ATOM 0 HA SER A 41 7.590 -13.645 10.438 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.846 -11.237 10.988 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.816 -11.599 12.702 1.00 0.00 H new ATOM 0 HG SER A 41 9.982 -11.369 11.891 1.00 0.00 H new ATOM 641 N PRO A 42 8.716 -15.290 11.965 1.00 0.00 N ATOM 642 CA PRO A 42 9.433 -16.186 12.865 1.00 0.00 C ATOM 643 C PRO A 42 10.511 -15.493 13.725 1.00 0.00 C ATOM 644 O PRO A 42 10.965 -16.075 14.713 1.00 0.00 O ATOM 645 CB PRO A 42 10.038 -17.282 11.975 1.00 0.00 C ATOM 646 CG PRO A 42 9.232 -17.207 10.679 1.00 0.00 C ATOM 647 CD PRO A 42 8.885 -15.724 10.588 1.00 0.00 C ATOM 0 HA PRO A 42 8.740 -16.590 13.603 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.098 -17.107 11.794 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.952 -18.264 12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.814 -17.541 9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.339 -17.830 10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.677 -15.163 10.092 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.974 -15.567 10.010 1.00 0.00 H new ATOM 655 N MET A 43 10.929 -14.268 13.367 1.00 0.00 N ATOM 656 CA MET A 43 12.006 -13.513 14.036 1.00 0.00 C ATOM 657 C MET A 43 11.487 -12.390 14.954 1.00 0.00 C ATOM 658 O MET A 43 12.116 -12.093 15.972 1.00 0.00 O ATOM 659 CB MET A 43 12.973 -12.913 12.997 1.00 0.00 C ATOM 660 CG MET A 43 13.955 -13.921 12.379 1.00 0.00 C ATOM 661 SD MET A 43 13.283 -15.252 11.340 1.00 0.00 S ATOM 662 CE MET A 43 12.413 -14.279 10.083 1.00 0.00 C ATOM 0 H MET A 43 10.518 -13.760 12.584 1.00 0.00 H new ATOM 0 HA MET A 43 12.527 -14.233 14.667 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.389 -12.458 12.197 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.543 -12.114 13.470 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.673 -13.361 11.779 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.513 -14.384 13.193 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.111 -14.931 9.263 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.530 -13.819 10.526 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.075 -13.501 9.703 1.00 0.00 H new ATOM 672 N PHE A 44 10.360 -11.761 14.605 1.00 0.00 N ATOM 673 CA PHE A 44 9.760 -10.628 15.322 1.00 0.00 C ATOM 674 C PHE A 44 8.516 -11.046 16.128 1.00 0.00 C ATOM 675 O PHE A 44 7.829 -12.015 15.802 1.00 0.00 O ATOM 676 CB PHE A 44 9.481 -9.491 14.323 1.00 0.00 C ATOM 677 CG PHE A 44 8.764 -8.286 14.903 1.00 0.00 C ATOM 678 CD1 PHE A 44 9.427 -7.431 15.804 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.418 -8.037 14.568 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.744 -6.341 16.374 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.736 -6.945 15.135 1.00 0.00 C ATOM 682 CZ PHE A 44 7.400 -6.099 16.040 1.00 0.00 C ATOM 0 H PHE A 44 9.819 -12.036 13.785 1.00 0.00 H new ATOM 0 HA PHE A 44 10.465 -10.259 16.067 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.429 -9.161 13.898 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.885 -9.888 13.501 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.461 -7.612 16.058 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.908 -8.687 13.873 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.253 -5.689 17.069 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.705 -6.757 14.876 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.877 -5.262 16.479 1.00 0.00 H new ATOM 692 N ASP A 45 8.209 -10.294 17.185 1.00 0.00 N ATOM 693 CA ASP A 45 7.123 -10.557 18.145 1.00 0.00 C ATOM 694 C ASP A 45 5.755 -10.024 17.654 1.00 0.00 C ATOM 695 O ASP A 45 5.046 -9.296 18.354 1.00 0.00 O ATOM 696 CB ASP A 45 7.543 -10.030 19.529 1.00 0.00 C ATOM 697 CG ASP A 45 6.583 -10.454 20.659 1.00 0.00 C ATOM 698 OD1 ASP A 45 6.125 -11.623 20.670 1.00 0.00 O ATOM 699 OD2 ASP A 45 6.324 -9.635 21.574 1.00 0.00 O ATOM 0 H ASP A 45 8.730 -9.446 17.410 1.00 0.00 H new ATOM 0 HA ASP A 45 6.966 -11.632 18.232 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.546 -10.391 19.759 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.596 -8.942 19.495 1.00 0.00 H new ATOM 704 N GLY A 46 5.410 -10.349 16.405 1.00 0.00 N ATOM 705 CA GLY A 46 4.233 -9.849 15.690 1.00 0.00 C ATOM 706 C GLY A 46 4.381 -10.006 14.178 1.00 0.00 C ATOM 707 O GLY A 46 4.972 -10.981 13.697 1.00 0.00 O ATOM 0 H GLY A 46 5.965 -10.993 15.842 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.347 -10.387 16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.079 -8.798 15.933 1.00 0.00 H new ATOM 711 N LYS A 47 3.850 -9.040 13.417 1.00 0.00 N ATOM 712 CA LYS A 47 3.869 -9.056 11.944 1.00 0.00 C ATOM 713 C LYS A 47 4.714 -7.927 11.352 1.00 0.00 C ATOM 714 O LYS A 47 4.860 -6.863 11.953 1.00 0.00 O ATOM 715 CB LYS A 47 2.448 -9.118 11.354 1.00 0.00 C ATOM 716 CG LYS A 47 1.536 -10.097 12.114 1.00 0.00 C ATOM 717 CD LYS A 47 0.473 -10.729 11.215 1.00 0.00 C ATOM 718 CE LYS A 47 -0.461 -9.745 10.501 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.273 -8.910 11.428 1.00 0.00 N ATOM 0 H LYS A 47 3.391 -8.217 13.808 1.00 0.00 H new ATOM 0 HA LYS A 47 4.368 -9.978 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.005 -8.122 11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.505 -9.418 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.145 -10.884 12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.047 -9.570 12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.974 -11.337 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.133 -11.404 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.134 -9.091 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.131 -10.303 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.816 -8.212 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.927 -9.518 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.643 -8.415 12.091 1.00 0.00 H new ATOM 733 N VAL A 48 5.279 -8.180 10.175 1.00 0.00 N ATOM 734 CA VAL A 48 6.313 -7.350 9.527 1.00 0.00 C ATOM 735 C VAL A 48 5.901 -6.934 8.106 1.00 0.00 C ATOM 736 O VAL A 48 5.189 -7.697 7.444 1.00 0.00 O ATOM 737 CB VAL A 48 7.681 -8.064 9.538 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.150 -8.307 10.980 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.666 -9.408 8.796 1.00 0.00 C ATOM 0 H VAL A 48 5.026 -8.997 9.619 1.00 0.00 H new ATOM 0 HA VAL A 48 6.413 -6.433 10.108 1.00 0.00 H new ATOM 0 HB VAL A 48 8.369 -7.399 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.116 -8.811 10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.245 -7.352 11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.422 -8.930 11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.657 -9.859 8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.943 -10.075 9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.387 -9.246 7.755 1.00 0.00 H new ATOM 749 N PRO A 49 6.289 -5.733 7.624 1.00 0.00 N ATOM 750 CA PRO A 49 5.777 -5.180 6.372 1.00 0.00 C ATOM 751 C PRO A 49 6.512 -5.693 5.125 1.00 0.00 C ATOM 752 O PRO A 49 7.738 -5.602 5.021 1.00 0.00 O ATOM 753 CB PRO A 49 5.901 -3.659 6.514 1.00 0.00 C ATOM 754 CG PRO A 49 7.121 -3.496 7.419 1.00 0.00 C ATOM 755 CD PRO A 49 7.033 -4.707 8.349 1.00 0.00 C ATOM 0 HA PRO A 49 4.746 -5.497 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.047 -3.174 5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.007 -3.221 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.049 -3.495 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.088 -2.559 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.028 -5.065 8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.528 -4.446 9.279 1.00 0.00 H new ATOM 763 N HIS A 50 5.756 -6.168 4.132 1.00 0.00 N ATOM 764 CA HIS A 50 6.230 -6.435 2.770 1.00 0.00 C ATOM 765 C HIS A 50 5.825 -5.274 1.879 1.00 0.00 C ATOM 766 O HIS A 50 4.656 -5.183 1.536 1.00 0.00 O ATOM 767 CB HIS A 50 5.662 -7.776 2.269 1.00 0.00 C ATOM 768 CG HIS A 50 6.455 -8.968 2.740 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.706 -10.130 2.004 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.075 -9.070 3.948 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.468 -10.905 2.794 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.724 -10.285 3.959 1.00 0.00 N ATOM 0 H HIS A 50 4.767 -6.384 4.257 1.00 0.00 H new ATOM 0 HA HIS A 50 7.316 -6.521 2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.631 -7.876 2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.640 -7.770 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.061 -8.340 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.825 -11.889 2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.298 -10.650 4.718 1.00 0.00 H new ATOM 780 N TRP A 51 6.755 -4.372 1.556 1.00 0.00 N ATOM 781 CA TRP A 51 6.478 -3.171 0.767 1.00 0.00 C ATOM 782 C TRP A 51 6.382 -3.493 -0.727 1.00 0.00 C ATOM 783 O TRP A 51 7.102 -4.340 -1.254 1.00 0.00 O ATOM 784 CB TRP A 51 7.555 -2.105 1.001 1.00 0.00 C ATOM 785 CG TRP A 51 7.662 -1.598 2.404 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.542 -2.042 3.331 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.870 -0.560 3.066 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.349 -1.366 4.517 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.322 -0.455 4.418 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.804 0.288 2.678 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.748 0.433 5.336 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.202 1.166 3.607 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.686 1.251 4.925 1.00 0.00 C ATOM 0 H TRP A 51 7.732 -4.457 1.838 1.00 0.00 H new ATOM 0 HA TRP A 51 5.515 -2.781 1.097 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.520 -2.517 0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.355 -1.260 0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.283 -2.810 3.167 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.899 -1.522 5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.447 0.263 1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.119 0.487 6.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.364 1.776 3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.240 1.946 5.620 1.00 0.00 H new ATOM 804 N TYR A 52 5.529 -2.764 -1.430 1.00 0.00 N ATOM 805 CA TYR A 52 5.433 -2.779 -2.880 1.00 0.00 C ATOM 806 C TYR A 52 4.988 -1.392 -3.379 1.00 0.00 C ATOM 807 O TYR A 52 4.426 -0.593 -2.620 1.00 0.00 O ATOM 808 CB TYR A 52 4.503 -3.907 -3.384 1.00 0.00 C ATOM 809 CG TYR A 52 4.150 -5.086 -2.480 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.269 -4.933 -1.389 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.635 -6.369 -2.801 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.877 -6.057 -0.630 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.246 -7.493 -2.047 1.00 0.00 C ATOM 814 CZ TYR A 52 3.378 -7.337 -0.948 1.00 0.00 C ATOM 815 OH TYR A 52 3.019 -8.421 -0.207 1.00 0.00 O ATOM 0 H TYR A 52 4.864 -2.126 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 52 6.417 -2.996 -3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.565 -3.440 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.957 -4.318 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.893 -3.953 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.312 -6.492 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.192 -5.937 0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.613 -8.474 -2.311 1.00 0.00 H new ATOM 0 HH TYR A 52 3.455 -9.222 -0.566 1.00 0.00 H new ATOM 825 N HIS A 53 5.217 -1.088 -4.659 1.00 0.00 N ATOM 826 CA HIS A 53 4.598 0.083 -5.311 1.00 0.00 C ATOM 827 C HIS A 53 3.060 0.034 -5.176 1.00 0.00 C ATOM 828 O HIS A 53 2.486 -1.049 -5.031 1.00 0.00 O ATOM 829 CB HIS A 53 4.983 0.151 -6.799 1.00 0.00 C ATOM 830 CG HIS A 53 6.459 0.283 -7.104 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.304 -0.691 -7.653 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.173 1.441 -6.967 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.489 -0.090 -7.846 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.441 1.187 -7.438 1.00 0.00 N ATOM 0 H HIS A 53 5.826 -1.633 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 53 4.971 0.976 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.611 -0.748 -7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.464 0.997 -7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.811 2.376 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.359 -0.568 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.211 1.855 -7.471 1.00 0.00 H new ATOM 842 N PHE A 54 2.375 1.183 -5.268 1.00 0.00 N ATOM 843 CA PHE A 54 0.904 1.236 -5.179 1.00 0.00 C ATOM 844 C PHE A 54 0.217 0.245 -6.143 1.00 0.00 C ATOM 845 O PHE A 54 -0.698 -0.469 -5.742 1.00 0.00 O ATOM 846 CB PHE A 54 0.404 2.663 -5.460 1.00 0.00 C ATOM 847 CG PHE A 54 -1.088 2.740 -5.772 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.049 2.547 -4.757 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.513 2.915 -7.104 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.418 2.507 -5.080 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.883 2.880 -7.423 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.834 2.668 -6.413 1.00 0.00 C ATOM 0 H PHE A 54 2.816 2.093 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 54 0.638 0.943 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.618 3.290 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.963 3.076 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.733 2.430 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.784 3.077 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.151 2.352 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.203 3.016 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.885 2.629 -6.660 1.00 0.00 H new ATOM 862 N SER A 55 0.674 0.165 -7.398 1.00 0.00 N ATOM 863 CA SER A 55 0.106 -0.714 -8.426 1.00 0.00 C ATOM 864 C SER A 55 0.507 -2.179 -8.225 1.00 0.00 C ATOM 865 O SER A 55 -0.286 -3.082 -8.492 1.00 0.00 O ATOM 866 CB SER A 55 0.534 -0.218 -9.808 1.00 0.00 C ATOM 867 OG SER A 55 1.949 -0.161 -9.899 1.00 0.00 O ATOM 0 H SER A 55 1.462 0.719 -7.733 1.00 0.00 H new ATOM 0 HA SER A 55 -0.980 -0.676 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.141 -0.882 -10.577 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.112 0.770 -9.993 1.00 0.00 H new ATOM 0 HG SER A 55 2.207 0.156 -10.790 1.00 0.00 H new ATOM 873 N CYS A 56 1.716 -2.419 -7.707 1.00 0.00 N ATOM 874 CA CYS A 56 2.253 -3.737 -7.407 1.00 0.00 C ATOM 875 C CYS A 56 1.487 -4.473 -6.291 1.00 0.00 C ATOM 876 O CYS A 56 1.309 -5.686 -6.378 1.00 0.00 O ATOM 877 CB CYS A 56 3.740 -3.601 -7.080 1.00 0.00 C ATOM 878 SG CYS A 56 4.721 -3.145 -8.562 1.00 0.00 S ATOM 0 H CYS A 56 2.367 -1.667 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 56 2.124 -4.362 -8.291 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.875 -2.844 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.111 -4.542 -6.673 1.00 0.00 H new ATOM 883 N PHE A 57 0.982 -3.763 -5.278 1.00 0.00 N ATOM 884 CA PHE A 57 0.081 -4.314 -4.258 1.00 0.00 C ATOM 885 C PHE A 57 -1.108 -5.048 -4.899 1.00 0.00 C ATOM 886 O PHE A 57 -1.422 -6.182 -4.541 1.00 0.00 O ATOM 887 CB PHE A 57 -0.412 -3.182 -3.350 1.00 0.00 C ATOM 888 CG PHE A 57 -1.365 -3.652 -2.266 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.713 -3.909 -2.580 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.907 -3.864 -0.951 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.580 -4.437 -1.614 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.799 -4.312 0.038 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.127 -4.627 -0.298 1.00 0.00 C ATOM 0 H PHE A 57 1.190 -2.774 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 57 0.632 -5.043 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.447 -2.699 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.910 -2.428 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.082 -3.698 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.128 -3.682 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.594 -4.697 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.463 -4.415 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.798 -5.014 0.454 1.00 0.00 H new ATOM 903 N TRP A 58 -1.742 -4.436 -5.903 1.00 0.00 N ATOM 904 CA TRP A 58 -2.887 -5.028 -6.599 1.00 0.00 C ATOM 905 C TRP A 58 -2.481 -6.179 -7.543 1.00 0.00 C ATOM 906 O TRP A 58 -3.312 -7.038 -7.837 1.00 0.00 O ATOM 907 CB TRP A 58 -3.676 -3.917 -7.296 1.00 0.00 C ATOM 908 CG TRP A 58 -4.033 -2.751 -6.408 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.433 -1.544 -6.475 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.984 -2.647 -5.292 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.876 -0.732 -5.452 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.837 -1.356 -4.691 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.967 -3.495 -4.724 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.599 -0.940 -3.587 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.744 -3.082 -3.628 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.557 -1.814 -3.056 1.00 0.00 C ATOM 0 H TRP A 58 -1.476 -3.517 -6.256 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.541 -5.503 -5.867 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.093 -3.549 -8.140 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.594 -4.341 -7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.709 -1.255 -7.223 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.534 0.213 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.122 -4.479 -5.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.449 0.038 -3.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.492 -3.747 -3.222 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.152 -1.512 -2.206 1.00 0.00 H new ATOM 927 N LYS A 59 -1.195 -6.282 -7.930 1.00 0.00 N ATOM 928 CA LYS A 59 -0.616 -7.480 -8.582 1.00 0.00 C ATOM 929 C LYS A 59 -0.445 -8.655 -7.608 1.00 0.00 C ATOM 930 O LYS A 59 -0.369 -9.800 -8.052 1.00 0.00 O ATOM 931 CB LYS A 59 0.743 -7.194 -9.238 1.00 0.00 C ATOM 932 CG LYS A 59 0.709 -6.067 -10.269 1.00 0.00 C ATOM 933 CD LYS A 59 2.130 -5.681 -10.697 1.00 0.00 C ATOM 934 CE LYS A 59 2.054 -4.271 -11.276 1.00 0.00 C ATOM 935 NZ LYS A 59 3.380 -3.605 -11.287 1.00 0.00 N ATOM 0 H LYS A 59 -0.519 -5.530 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.337 -7.753 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.464 -6.940 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.101 -8.104 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.134 -6.382 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.202 -5.198 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.811 -5.712 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.513 -6.382 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.662 -4.316 -12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.353 -3.675 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.339 -2.760 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.636 -3.325 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.096 -4.262 -11.658 1.00 0.00 H new ATOM 949 N VAL A 60 -0.378 -8.405 -6.290 1.00 0.00 N ATOM 950 CA VAL A 60 -0.438 -9.477 -5.264 1.00 0.00 C ATOM 951 C VAL A 60 -1.843 -10.114 -5.203 1.00 0.00 C ATOM 952 O VAL A 60 -1.989 -11.267 -4.796 1.00 0.00 O ATOM 953 CB VAL A 60 0.003 -8.986 -3.862 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.279 -10.149 -2.895 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.297 -8.165 -3.893 1.00 0.00 C ATOM 0 H VAL A 60 -0.282 -7.467 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 60 0.276 -10.241 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.836 -8.376 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.585 -9.752 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.626 -10.744 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.074 -10.776 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.553 -7.851 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.105 -8.774 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.155 -7.286 -4.521 1.00 0.00 H new ATOM 965 N GLY A 61 -2.877 -9.404 -5.675 1.00 0.00 N ATOM 966 CA GLY A 61 -4.231 -9.934 -5.882 1.00 0.00 C ATOM 967 C GLY A 61 -5.185 -9.805 -4.687 1.00 0.00 C ATOM 968 O GLY A 61 -6.250 -10.428 -4.692 1.00 0.00 O ATOM 0 H GLY A 61 -2.792 -8.420 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.675 -9.422 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.152 -10.988 -6.149 1.00 0.00 H new ATOM 972 N HIS A 62 -4.837 -9.010 -3.668 1.00 0.00 N ATOM 973 CA HIS A 62 -5.737 -8.701 -2.547 1.00 0.00 C ATOM 974 C HIS A 62 -6.815 -7.690 -2.968 1.00 0.00 C ATOM 975 O HIS A 62 -6.495 -6.606 -3.458 1.00 0.00 O ATOM 976 CB HIS A 62 -4.945 -8.166 -1.341 1.00 0.00 C ATOM 977 CG HIS A 62 -4.092 -9.204 -0.655 1.00 0.00 C ATOM 978 ND1 HIS A 62 -4.446 -9.925 0.490 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.833 -9.569 -1.030 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.389 -10.706 0.776 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.411 -10.518 -0.126 1.00 0.00 N ATOM 0 H HIS A 62 -3.923 -8.562 -3.596 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.232 -9.627 -2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.306 -7.348 -1.674 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.645 -7.749 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.275 -9.188 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.334 -11.388 1.612 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.510 -10.996 -0.139 1.00 0.00 H new ATOM 989 N SER A 63 -8.084 -8.016 -2.710 1.00 0.00 N ATOM 990 CA SER A 63 -9.215 -7.075 -2.771 1.00 0.00 C ATOM 991 C SER A 63 -9.561 -6.638 -1.351 1.00 0.00 C ATOM 992 O SER A 63 -9.857 -7.470 -0.490 1.00 0.00 O ATOM 993 CB SER A 63 -10.433 -7.707 -3.456 1.00 0.00 C ATOM 994 OG SER A 63 -10.146 -7.990 -4.817 1.00 0.00 O ATOM 0 H SER A 63 -8.364 -8.961 -2.447 1.00 0.00 H new ATOM 0 HA SER A 63 -8.928 -6.208 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.713 -8.625 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.286 -7.031 -3.391 1.00 0.00 H new ATOM 0 HG SER A 63 -10.932 -8.394 -5.240 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.492 -5.335 -1.081 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.576 -4.779 0.271 1.00 0.00 C ATOM 1002 C ILE A 64 -11.040 -4.401 0.517 1.00 0.00 C ATOM 1003 O ILE A 64 -11.608 -3.570 -0.192 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.592 -3.595 0.420 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.139 -3.985 0.064 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.638 -3.016 1.843 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.157 -2.818 0.236 1.00 0.00 C ATOM 0 H ILE A 64 -9.375 -4.625 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.277 -5.501 1.031 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.917 -2.835 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.824 -4.816 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.103 -4.337 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.937 -2.185 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.646 -2.662 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.364 -3.790 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.152 -3.147 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.452 -1.995 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.169 -2.482 1.273 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.663 -5.029 1.518 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.126 -4.972 1.728 1.00 0.00 C ATOM 1021 C ARG A 65 -13.584 -3.784 2.585 1.00 0.00 C ATOM 1022 O ARG A 65 -14.741 -3.371 2.510 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.682 -6.317 2.254 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.787 -7.106 3.230 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.849 -8.079 2.492 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.792 -8.587 3.389 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.494 -8.655 3.144 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -8.960 -8.323 2.006 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.666 -9.054 4.059 1.00 0.00 N ATOM 0 H ARG A 65 -11.173 -5.594 2.211 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.558 -4.798 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.633 -6.121 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.894 -6.955 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.194 -6.409 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.413 -7.664 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.426 -8.915 2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.394 -7.574 1.640 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.098 -8.924 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.550 -7.989 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.951 -8.397 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.014 -9.320 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.667 -9.102 3.857 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.668 -3.229 3.375 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.854 -2.050 4.231 1.00 0.00 C ATOM 1045 C HIS A 66 -11.520 -1.299 4.397 1.00 0.00 C ATOM 1046 O HIS A 66 -10.837 -1.451 5.414 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.526 -2.444 5.565 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.058 -3.696 6.288 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.818 -4.365 7.254 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -11.877 -4.366 6.130 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.082 -5.415 7.653 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.913 -5.441 6.992 1.00 0.00 N ATOM 0 H HIS A 66 -11.723 -3.607 3.442 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.539 -1.350 3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.409 -1.605 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.594 -2.554 5.375 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.072 -4.104 5.460 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.386 -6.135 8.398 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.177 -6.138 7.108 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.084 -0.527 3.382 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.720 -0.004 3.331 1.00 0.00 C ATOM 1062 C PRO A 67 -9.397 1.005 4.435 1.00 0.00 C ATOM 1063 O PRO A 67 -8.280 1.007 4.941 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.550 0.591 1.926 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.981 0.911 1.502 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.788 -0.213 2.145 1.00 0.00 C ATOM 0 HA PRO A 67 -9.007 -0.808 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.926 1.485 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.078 -0.116 1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.298 1.891 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.089 0.916 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.813 0.101 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.843 -1.083 1.491 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.372 1.787 4.900 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.175 2.723 6.014 1.00 0.00 C ATOM 1076 C ASP A 68 -9.978 1.999 7.369 1.00 0.00 C ATOM 1077 O ASP A 68 -9.513 2.600 8.340 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.380 3.677 6.042 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.328 4.707 7.186 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.471 5.621 7.148 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.182 4.633 8.104 1.00 0.00 O ATOM 0 H ASP A 68 -11.318 1.792 4.519 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.255 3.286 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.435 4.206 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.294 3.091 6.134 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.303 0.700 7.433 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.217 -0.144 8.633 1.00 0.00 C ATOM 1088 C VAL A 69 -8.922 -0.964 8.644 1.00 0.00 C ATOM 1089 O VAL A 69 -8.307 -1.124 9.699 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.449 -1.069 8.738 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.464 -1.873 10.043 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.760 -0.269 8.670 1.00 0.00 C ATOM 0 H VAL A 69 -10.646 0.189 6.619 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.203 0.513 9.503 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.375 -1.751 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.350 -2.508 10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.570 -2.495 10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.483 -1.189 10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.607 -0.951 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.793 0.445 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.811 0.267 7.722 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.488 -1.466 7.482 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.351 -2.401 7.377 1.00 0.00 C ATOM 1104 C GLU A 70 -6.083 -1.835 6.723 1.00 0.00 C ATOM 1105 O GLU A 70 -4.997 -2.351 6.985 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.792 -3.690 6.661 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.579 -4.642 7.574 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.747 -5.222 8.740 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.494 -5.212 8.683 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.361 -5.712 9.719 1.00 0.00 O ATOM 0 H GLU A 70 -8.913 -1.238 6.583 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.061 -2.608 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.407 -3.429 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.912 -4.207 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.438 -4.110 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.969 -5.465 6.975 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.180 -0.777 5.912 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.015 -0.060 5.371 1.00 0.00 C ATOM 1119 C VAL A 71 -4.538 0.980 6.380 1.00 0.00 C ATOM 1120 O VAL A 71 -5.054 2.095 6.476 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.284 0.526 3.983 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.957 0.997 3.406 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.822 -0.549 3.034 1.00 0.00 C ATOM 0 H VAL A 71 -7.074 -0.389 5.609 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.205 -0.774 5.220 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.010 1.334 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.121 1.420 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.526 1.757 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.272 0.152 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.006 -0.110 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.090 -1.351 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.753 -0.952 3.431 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.513 0.605 7.136 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.757 1.506 7.998 1.00 0.00 C ATOM 1135 C ASP A 72 -2.101 2.629 7.174 1.00 0.00 C ATOM 1136 O ASP A 72 -1.639 2.400 6.058 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.725 0.662 8.747 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.905 1.481 9.743 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.126 2.052 9.328 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.269 1.522 10.941 1.00 0.00 O ATOM 0 H ASP A 72 -3.176 -0.357 7.167 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.412 2.002 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.235 -0.142 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.053 0.194 8.028 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.075 3.852 7.697 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.492 5.017 7.018 1.00 0.00 C ATOM 1147 C GLY A 73 -2.393 5.663 5.960 1.00 0.00 C ATOM 1148 O GLY A 73 -2.006 6.662 5.356 1.00 0.00 O ATOM 0 H GLY A 73 -2.462 4.070 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.240 5.768 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.559 4.714 6.544 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.628 5.179 5.780 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.645 5.832 4.943 1.00 0.00 C ATOM 1154 C PHE A 74 -4.955 7.272 5.410 1.00 0.00 C ATOM 1155 O PHE A 74 -5.282 8.142 4.601 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.891 4.936 4.950 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.027 5.421 4.075 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.008 5.157 2.692 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.104 6.128 4.641 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.058 5.613 1.878 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.154 6.584 3.825 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.120 6.337 2.444 1.00 0.00 C ATOM 0 H PHE A 74 -3.953 4.316 6.215 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.272 5.944 3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.604 3.936 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.252 4.848 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.188 4.605 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.124 6.321 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.049 5.407 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.984 7.122 4.259 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.915 6.706 1.813 1.00 0.00 H new ATOM 1172 N SER A 75 -4.763 7.555 6.702 1.00 0.00 N ATOM 1173 CA SER A 75 -4.812 8.890 7.318 1.00 0.00 C ATOM 1174 C SER A 75 -3.656 9.826 6.925 1.00 0.00 C ATOM 1175 O SER A 75 -3.787 11.044 7.063 1.00 0.00 O ATOM 1176 CB SER A 75 -4.807 8.728 8.842 1.00 0.00 C ATOM 1177 OG SER A 75 -3.773 7.840 9.251 1.00 0.00 O ATOM 0 H SER A 75 -4.559 6.824 7.383 1.00 0.00 H new ATOM 0 HA SER A 75 -5.724 9.358 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.667 9.700 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.773 8.348 9.175 1.00 0.00 H new ATOM 0 HG SER A 75 -3.785 7.751 10.227 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.533 9.297 6.427 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.369 10.088 5.994 1.00 0.00 C ATOM 1185 C GLU A 76 -1.532 10.634 4.559 1.00 0.00 C ATOM 1186 O GLU A 76 -0.835 11.572 4.164 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.076 9.251 6.090 1.00 0.00 C ATOM 1188 CG GLU A 76 0.226 8.725 7.503 1.00 0.00 C ATOM 1189 CD GLU A 76 1.449 7.789 7.536 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.436 8.008 6.793 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.449 6.806 8.316 1.00 0.00 O ATOM 0 H GLU A 76 -2.402 8.292 6.310 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.300 10.942 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.152 8.405 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.764 9.859 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.400 9.568 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.646 8.192 7.883 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.460 10.060 3.783 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.793 10.470 2.416 1.00 0.00 C ATOM 1200 C LEU A 77 -3.652 11.746 2.382 1.00 0.00 C ATOM 1201 O LEU A 77 -4.424 12.018 3.309 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.544 9.328 1.708 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.824 7.972 1.624 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.724 6.993 0.868 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.480 8.061 0.906 1.00 0.00 C ATOM 0 H LEU A 77 -3.019 9.269 4.103 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.858 10.690 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.494 9.177 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.777 9.652 0.694 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.627 7.636 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.230 6.024 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.668 6.881 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.916 7.375 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.017 7.075 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.634 8.420 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.828 8.752 1.440 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.588 12.492 1.271 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.561 13.548 0.936 1.00 0.00 C ATOM 1219 C ARG A 78 -5.843 12.967 0.344 1.00 0.00 C ATOM 1220 O ARG A 78 -5.875 11.820 -0.108 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.929 14.603 0.003 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.995 15.573 0.742 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.783 16.513 1.671 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.896 17.488 2.338 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.499 18.664 1.880 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.863 19.120 0.714 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.715 19.416 2.596 1.00 0.00 N ATOM 0 H ARG A 78 -2.854 12.381 0.571 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.839 14.049 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.370 14.096 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.722 15.171 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.268 15.007 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.433 16.162 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.540 17.044 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.309 15.925 2.423 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.549 17.223 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.476 18.564 0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.534 20.032 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.404 19.100 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.411 20.322 2.239 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.896 13.785 0.326 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.246 13.395 -0.098 1.00 0.00 C ATOM 1243 C TRP A 79 -8.282 12.724 -1.486 1.00 0.00 C ATOM 1244 O TRP A 79 -9.019 11.758 -1.683 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.188 14.612 -0.006 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.172 14.773 -1.126 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.411 14.235 -1.197 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.975 15.484 -2.384 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.990 14.569 -2.409 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.146 15.337 -3.183 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.904 16.222 -2.929 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.254 15.907 -4.462 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.997 16.792 -4.213 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.168 16.637 -4.979 1.00 0.00 C ATOM 0 H TRP A 79 -6.835 14.762 0.613 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.601 12.625 0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.742 14.546 0.930 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.578 15.514 0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.876 13.637 -0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.926 14.282 -2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.000 16.352 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.158 15.787 -5.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.165 17.352 -4.613 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.233 17.078 -5.963 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.449 13.177 -2.431 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.434 12.645 -3.798 1.00 0.00 C ATOM 1267 C ASP A 80 -6.848 11.224 -3.901 1.00 0.00 C ATOM 1268 O ASP A 80 -7.276 10.439 -4.748 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.699 13.612 -4.733 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.889 13.220 -6.210 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.049 12.987 -6.631 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.882 13.173 -6.958 1.00 0.00 O ATOM 0 H ASP A 80 -6.769 13.920 -2.270 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.475 12.558 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.068 14.625 -4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.636 13.618 -4.490 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.905 10.853 -3.027 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.413 9.482 -2.931 1.00 0.00 C ATOM 1279 C ASP A 81 -6.276 8.630 -2.001 1.00 0.00 C ATOM 1280 O ASP A 81 -6.457 7.447 -2.267 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.933 9.420 -2.561 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.046 9.973 -3.682 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.993 9.344 -4.767 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.384 11.014 -3.461 1.00 0.00 O ATOM 0 H ASP A 81 -5.465 11.497 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.499 9.049 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.762 9.989 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.653 8.388 -2.351 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.899 9.209 -0.970 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.927 8.510 -0.196 1.00 0.00 C ATOM 1291 C GLN A 82 -9.064 8.026 -1.105 1.00 0.00 C ATOM 1292 O GLN A 82 -9.392 6.838 -1.089 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.459 9.404 0.933 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.449 9.474 2.084 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.911 10.334 3.259 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.808 11.164 3.168 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.300 10.179 4.412 1.00 0.00 N ATOM 0 H GLN A 82 -6.709 10.160 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.471 7.631 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.653 10.406 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.409 9.013 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.249 8.464 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.507 9.870 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.551 9.492 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.574 10.745 5.215 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.607 8.889 -1.970 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.672 8.482 -2.889 1.00 0.00 C ATOM 1308 C GLN A 83 -10.200 7.486 -3.963 1.00 0.00 C ATOM 1309 O GLN A 83 -10.979 6.606 -4.321 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.418 9.699 -3.468 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.623 10.540 -4.479 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.355 11.812 -4.927 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.516 12.055 -4.617 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.724 12.678 -5.690 1.00 0.00 N ATOM 0 H GLN A 83 -9.328 9.867 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.399 7.925 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.330 9.349 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.721 10.344 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.667 10.818 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.403 9.929 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.757 12.505 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.201 13.522 -6.006 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.939 7.527 -4.432 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.426 6.597 -5.444 1.00 0.00 C ATOM 1325 C LYS A 84 -8.072 5.252 -4.843 1.00 0.00 C ATOM 1326 O LYS A 84 -8.300 4.235 -5.484 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.284 7.234 -6.253 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.857 7.164 -5.705 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.081 5.955 -6.230 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.589 6.016 -5.880 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.902 7.184 -6.497 1.00 0.00 N ATOM 0 H LYS A 84 -8.249 8.209 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.224 6.393 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.281 6.770 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.530 8.286 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.324 8.076 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.892 7.123 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.511 5.043 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.195 5.897 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.476 6.063 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.104 5.098 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.983 6.884 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.489 7.565 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.754 7.920 -5.777 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.585 5.221 -3.603 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.308 3.966 -2.885 1.00 0.00 C ATOM 1347 C VAL A 85 -8.623 3.275 -2.514 1.00 0.00 C ATOM 1348 O VAL A 85 -8.753 2.070 -2.732 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.398 4.229 -1.666 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.255 3.036 -0.705 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.995 4.619 -2.158 1.00 0.00 C ATOM 0 H VAL A 85 -7.370 6.060 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.761 3.283 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.880 5.030 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.599 3.311 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.236 2.764 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.829 2.187 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.348 4.806 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.580 3.807 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.061 5.521 -2.767 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.647 4.030 -2.081 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.013 3.506 -1.890 1.00 0.00 C ATOM 1363 C LYS A 86 -11.629 3.008 -3.203 1.00 0.00 C ATOM 1364 O LYS A 86 -12.112 1.877 -3.244 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.917 4.554 -1.215 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.546 4.778 0.262 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.455 5.806 0.958 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.862 5.249 1.201 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.744 6.249 1.862 1.00 0.00 N ATOM 0 H LYS A 86 -9.553 5.020 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.937 2.644 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.841 5.498 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.956 4.232 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.605 3.829 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.511 5.114 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.011 6.099 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.521 6.706 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.303 4.947 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.797 4.355 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.687 5.836 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.336 6.519 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.826 7.092 1.259 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.556 3.782 -4.296 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.065 3.350 -5.617 1.00 0.00 C ATOM 1385 C LYS A 87 -11.317 2.128 -6.148 1.00 0.00 C ATOM 1386 O LYS A 87 -11.958 1.211 -6.646 1.00 0.00 O ATOM 1387 CB LYS A 87 -12.048 4.497 -6.650 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.418 5.170 -6.841 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.966 5.893 -5.603 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.358 6.457 -5.917 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.937 7.181 -4.755 1.00 0.00 N ATOM 0 H LYS A 87 -11.148 4.717 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.105 3.060 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.324 5.248 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.707 4.107 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.342 5.888 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.138 4.412 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.022 5.203 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.292 6.699 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.292 7.133 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.023 5.643 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.877 7.547 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.024 6.530 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.316 7.973 -4.495 1.00 0.00 H new ATOM 1405 N THR A 88 -9.996 2.058 -5.989 1.00 0.00 N ATOM 1406 CA THR A 88 -9.181 0.916 -6.431 1.00 0.00 C ATOM 1407 C THR A 88 -9.473 -0.352 -5.621 1.00 0.00 C ATOM 1408 O THR A 88 -9.517 -1.443 -6.190 1.00 0.00 O ATOM 1409 CB THR A 88 -7.683 1.255 -6.411 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.437 2.378 -7.226 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.851 0.133 -7.014 1.00 0.00 C ATOM 0 H THR A 88 -9.451 2.798 -5.546 1.00 0.00 H new ATOM 0 HA THR A 88 -9.464 0.708 -7.463 1.00 0.00 H new ATOM 0 HB THR A 88 -7.415 1.425 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.609 3.197 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.796 0.406 -6.984 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.006 -0.782 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.154 -0.030 -8.048 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.764 -0.225 -4.324 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.169 -1.342 -3.476 1.00 0.00 C ATOM 1421 C ALA A 89 -11.574 -1.843 -3.850 1.00 0.00 C ATOM 1422 O ALA A 89 -11.796 -3.051 -3.949 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.108 -0.866 -2.025 1.00 0.00 C ATOM 0 H ALA A 89 -9.724 0.667 -3.831 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.497 -2.188 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.406 -1.679 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.090 -0.557 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.785 -0.022 -1.890 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.495 -0.923 -4.161 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.841 -1.257 -4.649 1.00 0.00 C ATOM 1431 C GLU A 90 -13.822 -1.871 -6.061 1.00 0.00 C ATOM 1432 O GLU A 90 -14.637 -2.737 -6.383 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.734 -0.003 -4.632 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.154 0.437 -3.224 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.268 -0.466 -2.654 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.467 -0.166 -2.873 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.956 -1.478 -1.981 1.00 0.00 O ATOM 0 H GLU A 90 -12.328 0.080 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.249 -2.011 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.203 0.817 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.628 -0.197 -5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.289 0.411 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.502 1.470 -3.254 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.856 -1.460 -6.885 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.597 -1.963 -8.232 1.00 0.00 C ATOM 1446 C ALA A 91 -11.888 -3.337 -8.262 1.00 0.00 C ATOM 1447 O ALA A 91 -11.715 -3.916 -9.338 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.786 -0.881 -8.963 1.00 0.00 C ATOM 0 H ALA A 91 -12.199 -0.728 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.547 -2.150 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.568 -1.213 -9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.363 0.043 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.852 -0.705 -8.430 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.469 -3.871 -7.105 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.729 -5.135 -7.000 1.00 0.00 C ATOM 1456 C GLY A 92 -9.283 -5.060 -7.512 1.00 0.00 C ATOM 1457 O GLY A 92 -8.725 -6.075 -7.939 1.00 0.00 O ATOM 0 H GLY A 92 -11.638 -3.428 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.718 -5.451 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.262 -5.903 -7.560 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.680 -3.869 -7.482 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.291 -3.615 -7.845 1.00 0.00 C ATOM 1463 C GLY A 93 -7.073 -3.085 -9.265 1.00 0.00 C ATOM 1464 O GLY A 93 -7.766 -3.463 -10.212 1.00 0.00 O ATOM 0 H GLY A 93 -9.170 -3.023 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.873 -2.897 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.727 -4.541 -7.730 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.067 -2.215 -9.398 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.553 -1.669 -10.668 1.00 0.00 C ATOM 1470 C VAL A 94 -4.032 -1.796 -10.713 1.00 0.00 C ATOM 1471 O VAL A 94 -3.338 -1.479 -9.746 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.974 -0.201 -10.888 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.307 0.402 -12.137 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -7.493 -0.093 -11.075 1.00 0.00 C ATOM 0 H VAL A 94 -5.562 -1.853 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.993 -2.253 -11.476 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.656 0.347 -10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.629 1.436 -12.258 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.224 0.370 -12.022 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.596 -0.173 -13.017 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.767 0.951 -11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.795 -0.679 -11.943 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.997 -0.474 -10.187 1.00 0.00 H new ATOM 1484 N THR A 95 -3.514 -2.241 -11.857 1.00 0.00 N ATOM 1485 CA THR A 95 -2.097 -2.564 -12.078 1.00 0.00 C ATOM 1486 C THR A 95 -1.479 -1.682 -13.171 1.00 0.00 C ATOM 1487 O THR A 95 -2.186 -1.064 -13.973 1.00 0.00 O ATOM 1488 CB THR A 95 -1.940 -4.063 -12.391 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.601 -4.391 -13.595 1.00 0.00 O ATOM 1490 CG2 THR A 95 -2.552 -4.921 -11.280 1.00 0.00 C ATOM 0 H THR A 95 -4.086 -2.393 -12.688 1.00 0.00 H new ATOM 0 HA THR A 95 -1.547 -2.349 -11.162 1.00 0.00 H new ATOM 0 HB THR A 95 -0.872 -4.263 -12.475 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.489 -5.347 -13.779 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.428 -5.976 -11.525 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.050 -4.706 -10.336 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.614 -4.692 -11.187 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.146 -1.585 -13.190 1.00 0.00 N ATOM 1499 CA GLY A 96 0.602 -0.708 -14.099 1.00 0.00 C ATOM 1500 C GLY A 96 2.105 -1.018 -14.125 1.00 0.00 C ATOM 1501 O GLY A 96 2.617 -1.720 -13.246 1.00 0.00 O ATOM 0 H GLY A 96 0.454 -2.122 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.198 -0.808 -15.106 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.455 0.329 -13.798 1.00 0.00 H new ATOM 1505 N LYS A 97 2.810 -0.523 -15.148 1.00 0.00 N ATOM 1506 CA LYS A 97 4.233 -0.819 -15.417 1.00 0.00 C ATOM 1507 C LYS A 97 5.199 -0.088 -14.464 1.00 0.00 C ATOM 1508 O LYS A 97 4.841 0.917 -13.844 1.00 0.00 O ATOM 1509 CB LYS A 97 4.561 -0.506 -16.891 1.00 0.00 C ATOM 1510 CG LYS A 97 3.788 -1.408 -17.869 1.00 0.00 C ATOM 1511 CD LYS A 97 4.177 -1.113 -19.324 1.00 0.00 C ATOM 1512 CE LYS A 97 3.389 -2.023 -20.275 1.00 0.00 C ATOM 1513 NZ LYS A 97 3.739 -1.766 -21.696 1.00 0.00 N ATOM 0 H LYS A 97 2.401 0.112 -15.834 1.00 0.00 H new ATOM 0 HA LYS A 97 4.382 -1.882 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.324 0.537 -17.099 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.631 -0.629 -17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.991 -2.454 -17.641 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.717 -1.256 -17.738 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.975 -0.068 -19.558 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.247 -1.270 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.593 -3.066 -20.033 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.321 -1.864 -20.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.187 -2.399 -22.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.521 -0.777 -21.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.754 -1.942 -21.841 1.00 0.00 H new ATOM 1527 N GLY A 98 6.432 -0.596 -14.369 1.00 0.00 N ATOM 1528 CA GLY A 98 7.536 0.008 -13.607 1.00 0.00 C ATOM 1529 C GLY A 98 8.052 1.333 -14.193 1.00 0.00 C ATOM 1530 O GLY A 98 7.626 1.767 -15.268 1.00 0.00 O ATOM 0 H GLY A 98 6.700 -1.464 -14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.205 0.181 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.362 -0.702 -13.560 1.00 0.00 H new ATOM 1534 N GLN A 99 8.975 1.985 -13.478 1.00 0.00 N ATOM 1535 CA GLN A 99 9.497 3.322 -13.800 1.00 0.00 C ATOM 1536 C GLN A 99 11.007 3.442 -13.498 1.00 0.00 C ATOM 1537 O GLN A 99 11.547 2.732 -12.649 1.00 0.00 O ATOM 1538 CB GLN A 99 8.650 4.364 -13.034 1.00 0.00 C ATOM 1539 CG GLN A 99 8.924 5.838 -13.378 1.00 0.00 C ATOM 1540 CD GLN A 99 8.789 6.140 -14.869 1.00 0.00 C ATOM 1541 OE1 GLN A 99 9.753 6.084 -15.622 1.00 0.00 O ATOM 1542 NE2 GLN A 99 7.605 6.436 -15.361 1.00 0.00 N ATOM 0 H GLN A 99 9.392 1.588 -12.636 1.00 0.00 H new ATOM 0 HA GLN A 99 9.409 3.507 -14.871 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.597 4.157 -13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.816 4.224 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.232 6.470 -12.821 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.930 6.101 -13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.794 6.486 -14.744 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.498 6.616 -16.359 1.00 0.00 H new ATOM 1551 N ASP A 100 11.694 4.360 -14.186 1.00 0.00 N ATOM 1552 CA ASP A 100 13.148 4.579 -14.080 1.00 0.00 C ATOM 1553 C ASP A 100 13.609 5.086 -12.693 1.00 0.00 C ATOM 1554 O ASP A 100 14.761 4.877 -12.304 1.00 0.00 O ATOM 1555 CB ASP A 100 13.557 5.560 -15.189 1.00 0.00 C ATOM 1556 CG ASP A 100 15.082 5.742 -15.289 1.00 0.00 C ATOM 1557 OD1 ASP A 100 15.780 4.788 -15.710 1.00 0.00 O ATOM 1558 OD2 ASP A 100 15.583 6.852 -14.986 1.00 0.00 O ATOM 0 H ASP A 100 11.246 4.990 -14.851 1.00 0.00 H new ATOM 0 HA ASP A 100 13.645 3.616 -14.201 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.175 5.201 -16.145 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.091 6.528 -15.002 1.00 0.00 H new ATOM 1563 N GLY A 101 12.711 5.714 -11.921 1.00 0.00 N ATOM 1564 CA GLY A 101 12.939 6.109 -10.527 1.00 0.00 C ATOM 1565 C GLY A 101 12.944 4.902 -9.583 1.00 0.00 C ATOM 1566 O GLY A 101 11.908 4.535 -9.027 1.00 0.00 O ATOM 0 H GLY A 101 11.783 5.967 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.891 6.634 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.163 6.809 -10.217 1.00 0.00 H new ATOM 1570 N ILE A 102 14.121 4.296 -9.406 1.00 0.00 N ATOM 1571 CA ILE A 102 14.349 3.046 -8.656 1.00 0.00 C ATOM 1572 C ILE A 102 14.968 3.259 -7.261 1.00 0.00 C ATOM 1573 O ILE A 102 15.271 2.305 -6.545 1.00 0.00 O ATOM 1574 CB ILE A 102 15.120 2.060 -9.570 1.00 0.00 C ATOM 1575 CG1 ILE A 102 15.052 0.603 -9.061 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.574 2.521 -9.794 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.408 -0.437 -10.130 1.00 0.00 C ATOM 0 H ILE A 102 14.983 4.676 -9.797 1.00 0.00 H new ATOM 0 HA ILE A 102 13.388 2.595 -8.407 1.00 0.00 H new ATOM 0 HB ILE A 102 14.618 2.070 -10.537 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.731 0.490 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.046 0.402 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.087 1.807 -10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.576 3.503 -10.266 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.089 2.579 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.339 -1.437 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.714 -0.352 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.424 -0.263 -10.483 1.00 0.00 H new ATOM 1589 N GLY A 103 15.145 4.513 -6.843 1.00 0.00 N ATOM 1590 CA GLY A 103 15.624 4.859 -5.505 1.00 0.00 C ATOM 1591 C GLY A 103 15.854 6.360 -5.308 1.00 0.00 C ATOM 1592 O GLY A 103 15.743 7.150 -6.250 1.00 0.00 O ATOM 0 H GLY A 103 14.958 5.325 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.901 4.510 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.556 4.328 -5.313 1.00 0.00 H new ATOM 1596 N SER A 104 16.157 6.756 -4.071 1.00 0.00 N ATOM 1597 CA SER A 104 16.349 8.155 -3.660 1.00 0.00 C ATOM 1598 C SER A 104 17.283 8.287 -2.447 1.00 0.00 C ATOM 1599 O SER A 104 17.399 7.361 -1.638 1.00 0.00 O ATOM 1600 CB SER A 104 14.988 8.794 -3.344 1.00 0.00 C ATOM 1601 OG SER A 104 14.310 8.070 -2.329 1.00 0.00 O ATOM 0 H SER A 104 16.280 6.097 -3.303 1.00 0.00 H new ATOM 0 HA SER A 104 16.823 8.677 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 104 15.132 9.826 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.377 8.822 -4.246 1.00 0.00 H new ATOM 0 HG SER A 104 14.424 8.527 -1.469 1.00 0.00 H new ATOM 1607 N LYS A 105 17.911 9.461 -2.291 1.00 0.00 N ATOM 1608 CA LYS A 105 18.738 9.845 -1.132 1.00 0.00 C ATOM 1609 C LYS A 105 18.472 11.305 -0.740 1.00 0.00 C ATOM 1610 O LYS A 105 18.409 12.177 -1.608 1.00 0.00 O ATOM 1611 CB LYS A 105 20.221 9.589 -1.460 1.00 0.00 C ATOM 1612 CG LYS A 105 21.142 9.814 -0.247 1.00 0.00 C ATOM 1613 CD LYS A 105 22.605 9.429 -0.521 1.00 0.00 C ATOM 1614 CE LYS A 105 23.254 10.324 -1.587 1.00 0.00 C ATOM 1615 NZ LYS A 105 24.686 9.980 -1.791 1.00 0.00 N ATOM 0 H LYS A 105 17.857 10.199 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 105 18.472 9.236 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.339 8.566 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.529 10.247 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 105 21.097 10.863 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.771 9.231 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.176 9.498 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.650 8.390 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 105 22.716 10.218 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.169 11.368 -1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.093 10.604 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.204 10.105 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.765 8.990 -2.101 1.00 0.00 H new ATOM 1629 N ALA A 106 18.317 11.561 0.559 1.00 0.00 N ATOM 1630 CA ALA A 106 18.077 12.864 1.159 1.00 0.00 C ATOM 1631 C ALA A 106 18.472 12.823 2.647 1.00 0.00 C ATOM 1632 O ALA A 106 18.399 11.783 3.306 1.00 0.00 O ATOM 1633 CB ALA A 106 16.593 13.228 1.001 1.00 0.00 C ATOM 0 H ALA A 106 18.359 10.818 1.257 1.00 0.00 H new ATOM 0 HA ALA A 106 18.680 13.623 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 106 16.408 14.204 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.337 13.261 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.979 12.478 1.499 1.00 0.00 H new ATOM 1639 N GLU A 107 18.864 13.976 3.182 1.00 0.00 N ATOM 1640 CA GLU A 107 19.236 14.159 4.599 1.00 0.00 C ATOM 1641 C GLU A 107 18.024 14.166 5.556 1.00 0.00 C ATOM 1642 O GLU A 107 18.193 13.974 6.764 1.00 0.00 O ATOM 1643 CB GLU A 107 20.034 15.467 4.758 1.00 0.00 C ATOM 1644 CG GLU A 107 21.366 15.497 3.990 1.00 0.00 C ATOM 1645 CD GLU A 107 22.356 14.429 4.496 1.00 0.00 C ATOM 1646 OE1 GLU A 107 22.989 14.636 5.561 1.00 0.00 O ATOM 1647 OE2 GLU A 107 22.520 13.379 3.828 1.00 0.00 O ATOM 0 H GLU A 107 18.937 14.835 2.637 1.00 0.00 H new ATOM 0 HA GLU A 107 19.847 13.300 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.416 16.299 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.236 15.629 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 107 21.175 15.338 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 107 21.818 16.484 4.089 1.00 0.00 H new ATOM 1654 N LYS A 108 16.811 14.372 5.023 1.00 0.00 N ATOM 1655 CA LYS A 108 15.515 14.393 5.727 1.00 0.00 C ATOM 1656 C LYS A 108 14.449 13.628 4.937 1.00 0.00 C ATOM 1657 O LYS A 108 14.436 13.719 3.688 1.00 0.00 O ATOM 1658 CB LYS A 108 15.061 15.847 5.971 1.00 0.00 C ATOM 1659 CG LYS A 108 15.955 16.675 6.913 1.00 0.00 C ATOM 1660 CD LYS A 108 15.959 16.152 8.359 1.00 0.00 C ATOM 1661 CE LYS A 108 16.842 17.047 9.236 1.00 0.00 C ATOM 1662 NZ LYS A 108 16.881 16.568 10.643 1.00 0.00 N ATOM 1663 OXT LYS A 108 13.620 12.933 5.566 1.00 0.00 O ATOM 0 H LYS A 108 16.699 14.540 4.023 1.00 0.00 H new ATOM 0 HA LYS A 108 15.644 13.899 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.006 16.358 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.051 15.829 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 108 16.975 16.673 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.615 17.711 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.942 16.134 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.328 15.127 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 108 17.854 17.070 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.465 18.069 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.487 17.197 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.919 16.570 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.264 15.602 10.670 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.939 -2.635 -8.002 1.00 0.00 ZN