USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot -26:sc= 0.332 USER MOD Set 1.2: A 79 TYR OH : rot 9:sc= 2.06 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -1.53 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00396) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -69:sc= 0.633 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 169:sc= -2.02 (180deg=-2.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -1.14 USER MOD Single : A 78 THR OG1 : rot -161:sc= -1.24 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0463 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 8.935 3.682 -5.526 1.00 1.05 N ATOM 57 CA LEU A 4 9.147 2.362 -6.093 1.00 0.67 C ATOM 58 C LEU A 4 9.083 2.451 -7.620 1.00 0.56 C ATOM 59 O LEU A 4 8.734 3.494 -8.170 1.00 0.58 O ATOM 60 CB LEU A 4 8.160 1.357 -5.495 1.00 0.78 C ATOM 61 CG LEU A 4 6.781 1.296 -6.154 1.00 0.49 C ATOM 62 CD1 LEU A 4 6.417 2.639 -6.790 1.00 0.75 C ATOM 63 CD2 LEU A 4 6.705 0.146 -7.161 1.00 0.59 C ATOM 0 HA LEU A 4 10.139 1.992 -5.835 1.00 0.67 H new ATOM 0 HB2 LEU A 4 8.608 0.365 -5.544 1.00 0.78 H new ATOM 0 HB3 LEU A 4 8.026 1.594 -4.440 1.00 0.78 H new ATOM 0 HG LEU A 4 6.041 1.096 -5.379 1.00 0.49 H new ATOM 0 HD11 LEU A 4 5.432 2.568 -7.251 1.00 0.75 H new ATOM 0 HD12 LEU A 4 6.403 3.413 -6.023 1.00 0.75 H new ATOM 0 HD13 LEU A 4 7.156 2.894 -7.550 1.00 0.75 H new ATOM 0 HD21 LEU A 4 5.714 0.125 -7.615 1.00 0.59 H new ATOM 0 HD22 LEU A 4 7.457 0.291 -7.937 1.00 0.59 H new ATOM 0 HD23 LEU A 4 6.890 -0.799 -6.649 1.00 0.59 H new ATOM 75 N VAL A 5 9.427 1.342 -8.259 1.00 0.54 N ATOM 76 CA VAL A 5 9.414 1.282 -9.711 1.00 0.54 C ATOM 77 C VAL A 5 8.035 1.704 -10.222 1.00 0.48 C ATOM 78 O VAL A 5 7.849 2.842 -10.650 1.00 0.52 O ATOM 79 CB VAL A 5 9.824 -0.115 -10.181 1.00 0.65 C ATOM 80 CG1 VAL A 5 9.798 -0.211 -11.708 1.00 0.73 C ATOM 81 CG2 VAL A 5 11.200 -0.497 -9.631 1.00 0.86 C ATOM 0 H VAL A 5 9.716 0.479 -7.798 1.00 0.54 H new ATOM 0 HA VAL A 5 10.142 1.977 -10.128 1.00 0.54 H new ATOM 0 HB VAL A 5 9.097 -0.826 -9.789 1.00 0.65 H new ATOM 0 HG11 VAL A 5 10.094 -1.214 -12.015 1.00 0.73 H new ATOM 0 HG12 VAL A 5 8.790 -0.003 -12.069 1.00 0.73 H new ATOM 0 HG13 VAL A 5 10.491 0.516 -12.130 1.00 0.73 H new ATOM 0 HG21 VAL A 5 11.467 -1.494 -9.980 1.00 0.86 H new ATOM 0 HG22 VAL A 5 11.943 0.221 -9.979 1.00 0.86 H new ATOM 0 HG23 VAL A 5 11.171 -0.490 -8.541 1.00 0.86 H new ATOM 91 N SER A 6 7.104 0.763 -10.162 1.00 0.46 N ATOM 92 CA SER A 6 5.748 1.023 -10.614 1.00 0.42 C ATOM 93 C SER A 6 4.755 0.197 -9.793 1.00 0.39 C ATOM 94 O SER A 6 5.053 -0.932 -9.407 1.00 0.42 O ATOM 95 CB SER A 6 5.593 0.711 -12.104 1.00 0.45 C ATOM 96 OG SER A 6 6.853 0.630 -12.765 1.00 0.77 O ATOM 0 H SER A 6 7.262 -0.180 -9.807 1.00 0.46 H new ATOM 0 HA SER A 6 5.538 2.083 -10.469 1.00 0.42 H new ATOM 0 HB2 SER A 6 5.059 -0.232 -12.224 1.00 0.45 H new ATOM 0 HB3 SER A 6 4.985 1.483 -12.575 1.00 0.45 H new ATOM 0 HG SER A 6 6.712 0.428 -13.714 1.00 0.77 H new ATOM 102 N SER A 7 3.596 0.791 -9.551 1.00 0.36 N ATOM 103 CA SER A 7 2.559 0.124 -8.784 1.00 0.34 C ATOM 104 C SER A 7 1.189 0.706 -9.139 1.00 0.33 C ATOM 105 O SER A 7 1.102 1.770 -9.750 1.00 0.34 O ATOM 106 CB SER A 7 2.817 0.252 -7.281 1.00 0.35 C ATOM 107 OG SER A 7 2.936 1.612 -6.874 1.00 0.36 O ATOM 0 H SER A 7 3.352 1.728 -9.873 1.00 0.36 H new ATOM 0 HA SER A 7 2.573 -0.936 -9.039 1.00 0.34 H new ATOM 0 HB2 SER A 7 2.003 -0.221 -6.732 1.00 0.35 H new ATOM 0 HB3 SER A 7 3.730 -0.285 -7.023 1.00 0.35 H new ATOM 0 HG SER A 7 3.098 1.651 -5.908 1.00 0.36 H new ATOM 113 N THR A 8 0.153 -0.016 -8.738 1.00 0.33 N ATOM 114 CA THR A 8 -1.209 0.415 -9.007 1.00 0.34 C ATOM 115 C THR A 8 -2.087 0.204 -7.774 1.00 0.33 C ATOM 116 O THR A 8 -3.094 -0.501 -7.837 1.00 0.37 O ATOM 117 CB THR A 8 -1.707 -0.334 -10.245 1.00 0.38 C ATOM 118 OG1 THR A 8 -0.738 -0.036 -11.245 1.00 0.50 O ATOM 119 CG2 THR A 8 -3.007 0.250 -10.798 1.00 0.55 C ATOM 0 H THR A 8 0.229 -0.897 -8.229 1.00 0.33 H new ATOM 0 HA THR A 8 -1.252 1.483 -9.218 1.00 0.34 H new ATOM 0 HB THR A 8 -1.858 -1.385 -9.997 1.00 0.38 H new ATOM 0 HG1 THR A 8 -0.983 -0.484 -12.082 1.00 0.50 H new ATOM 0 HG21 THR A 8 -3.317 -0.318 -11.675 1.00 0.55 H new ATOM 0 HG22 THR A 8 -3.784 0.193 -10.036 1.00 0.55 H new ATOM 0 HG23 THR A 8 -2.848 1.292 -11.077 1.00 0.55 H new ATOM 127 N PRO A 9 -1.664 0.843 -6.650 1.00 0.31 N ATOM 128 CA PRO A 9 -2.402 0.732 -5.402 1.00 0.33 C ATOM 129 C PRO A 9 -3.678 1.575 -5.443 1.00 0.35 C ATOM 130 O PRO A 9 -4.783 1.041 -5.356 1.00 0.45 O ATOM 131 CB PRO A 9 -1.428 1.181 -4.327 1.00 0.33 C ATOM 132 CG PRO A 9 -0.343 1.965 -5.049 1.00 0.33 C ATOM 133 CD PRO A 9 -0.477 1.685 -6.536 1.00 0.31 C ATOM 0 HA PRO A 9 -2.748 -0.283 -5.207 1.00 0.33 H new ATOM 0 HB2 PRO A 9 -1.927 1.800 -3.582 1.00 0.33 H new ATOM 0 HB3 PRO A 9 -1.006 0.325 -3.800 1.00 0.33 H new ATOM 0 HG2 PRO A 9 -0.447 3.032 -4.851 1.00 0.33 H new ATOM 0 HG3 PRO A 9 0.643 1.669 -4.692 1.00 0.33 H new ATOM 0 HD2 PRO A 9 -0.591 2.608 -7.104 1.00 0.31 H new ATOM 0 HD3 PRO A 9 0.406 1.178 -6.925 1.00 0.31 H new ATOM 141 N ALA A 10 -3.484 2.879 -5.576 1.00 0.33 N ATOM 142 CA ALA A 10 -4.606 3.801 -5.630 1.00 0.37 C ATOM 143 C ALA A 10 -4.082 5.237 -5.570 1.00 0.35 C ATOM 144 O ALA A 10 -4.593 6.056 -4.806 1.00 0.38 O ATOM 145 CB ALA A 10 -5.579 3.487 -4.492 1.00 0.41 C ATOM 0 H ALA A 10 -2.567 3.319 -5.648 1.00 0.33 H new ATOM 0 HA ALA A 10 -5.152 3.688 -6.566 1.00 0.37 H new ATOM 0 HB1 ALA A 10 -6.421 4.178 -4.532 1.00 0.41 H new ATOM 0 HB2 ALA A 10 -5.943 2.465 -4.596 1.00 0.41 H new ATOM 0 HB3 ALA A 10 -5.067 3.594 -3.536 1.00 0.41 H new ATOM 151 N GLU A 11 -3.072 5.499 -6.384 1.00 0.35 N ATOM 152 CA GLU A 11 -2.474 6.823 -6.433 1.00 0.40 C ATOM 153 C GLU A 11 -3.561 7.898 -6.399 1.00 0.45 C ATOM 154 O GLU A 11 -4.277 8.095 -7.380 1.00 0.51 O ATOM 155 CB GLU A 11 -1.588 6.979 -7.671 1.00 0.49 C ATOM 156 CG GLU A 11 -0.110 7.052 -7.282 1.00 0.56 C ATOM 157 CD GLU A 11 0.772 6.407 -8.354 1.00 1.13 C ATOM 158 OE1 GLU A 11 0.262 5.688 -9.225 1.00 2.12 O ATOM 159 OE2 GLU A 11 2.030 6.676 -8.258 1.00 1.67 O ATOM 0 H GLU A 11 -2.652 4.817 -7.016 1.00 0.35 H new ATOM 0 HA GLU A 11 -1.840 6.947 -5.555 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -1.749 6.138 -8.346 1.00 0.49 H new ATOM 0 HB3 GLU A 11 -1.870 7.882 -8.213 1.00 0.49 H new ATOM 0 HG2 GLU A 11 0.182 8.093 -7.144 1.00 0.56 H new ATOM 0 HG3 GLU A 11 0.044 6.548 -6.328 1.00 0.56 H new ATOM 166 N GLY A 12 -3.652 8.567 -5.259 1.00 0.47 N ATOM 167 CA GLY A 12 -4.640 9.617 -5.084 1.00 0.55 C ATOM 168 C GLY A 12 -5.948 9.264 -5.794 1.00 0.61 C ATOM 169 O GLY A 12 -6.606 10.136 -6.360 1.00 0.78 O ATOM 0 H GLY A 12 -3.057 8.402 -4.447 1.00 0.47 H new ATOM 0 HA2 GLY A 12 -4.829 9.770 -4.021 1.00 0.55 H new ATOM 0 HA3 GLY A 12 -4.251 10.556 -5.477 1.00 0.55 H new ATOM 173 N SER A 13 -6.285 7.984 -5.744 1.00 0.55 N ATOM 174 CA SER A 13 -7.502 7.504 -6.376 1.00 0.63 C ATOM 175 C SER A 13 -8.722 7.947 -5.566 1.00 0.60 C ATOM 176 O SER A 13 -9.048 7.339 -4.548 1.00 0.58 O ATOM 177 CB SER A 13 -7.485 5.981 -6.521 1.00 0.76 C ATOM 178 OG SER A 13 -7.056 5.572 -7.817 1.00 1.21 O ATOM 0 H SER A 13 -5.736 7.264 -5.275 1.00 0.55 H new ATOM 0 HA SER A 13 -7.561 7.935 -7.375 1.00 0.63 H new ATOM 0 HB2 SER A 13 -6.823 5.553 -5.768 1.00 0.76 H new ATOM 0 HB3 SER A 13 -8.483 5.588 -6.329 1.00 0.76 H new ATOM 0 HG SER A 13 -7.057 4.593 -7.868 1.00 1.21 H new ATOM 184 N GLU A 14 -9.362 9.001 -6.049 1.00 0.69 N ATOM 185 CA GLU A 14 -10.538 9.532 -5.381 1.00 0.81 C ATOM 186 C GLU A 14 -11.801 9.170 -6.166 1.00 0.93 C ATOM 187 O GLU A 14 -11.946 9.550 -7.328 1.00 1.07 O ATOM 188 CB GLU A 14 -10.426 11.046 -5.193 1.00 1.00 C ATOM 189 CG GLU A 14 -9.081 11.422 -4.568 1.00 1.02 C ATOM 190 CD GLU A 14 -8.734 12.886 -4.847 1.00 1.29 C ATOM 191 OE1 GLU A 14 -8.137 13.193 -5.889 1.00 2.19 O ATOM 192 OE2 GLU A 14 -9.112 13.718 -3.938 1.00 2.29 O ATOM 0 H GLU A 14 -9.089 9.502 -6.895 1.00 0.69 H new ATOM 0 HA GLU A 14 -10.605 9.080 -4.391 1.00 0.81 H new ATOM 0 HB2 GLU A 14 -10.536 11.545 -6.156 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -11.238 11.398 -4.557 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -9.116 11.252 -3.492 1.00 1.02 H new ATOM 0 HG3 GLU A 14 -8.298 10.777 -4.967 1.00 1.02 H new ATOM 199 N GLY A 15 -12.686 8.442 -5.500 1.00 0.92 N ATOM 200 CA GLY A 15 -13.931 8.025 -6.120 1.00 1.11 C ATOM 201 C GLY A 15 -14.531 6.820 -5.391 1.00 0.88 C ATOM 202 O GLY A 15 -15.710 6.824 -5.044 1.00 0.81 O ATOM 0 H GLY A 15 -12.565 8.130 -4.536 1.00 0.92 H new ATOM 0 HA2 GLY A 15 -14.641 8.852 -6.109 1.00 1.11 H new ATOM 0 HA3 GLY A 15 -13.754 7.771 -7.165 1.00 1.11 H new ATOM 206 N ALA A 16 -13.690 5.818 -5.179 1.00 0.97 N ATOM 207 CA ALA A 16 -14.122 4.610 -4.498 1.00 0.96 C ATOM 208 C ALA A 16 -12.907 3.719 -4.231 1.00 1.25 C ATOM 209 O ALA A 16 -11.806 4.005 -4.701 1.00 1.89 O ATOM 210 CB ALA A 16 -15.190 3.905 -5.337 1.00 1.08 C ATOM 0 H ALA A 16 -12.712 5.818 -5.467 1.00 0.97 H new ATOM 0 HA ALA A 16 -14.572 4.852 -3.535 1.00 0.96 H new ATOM 0 HB1 ALA A 16 -15.514 2.998 -4.826 1.00 1.08 H new ATOM 0 HB2 ALA A 16 -16.043 4.570 -5.473 1.00 1.08 H new ATOM 0 HB3 ALA A 16 -14.774 3.644 -6.310 1.00 1.08 H new ATOM 216 N ALA A 17 -13.147 2.655 -3.477 1.00 0.92 N ATOM 217 CA ALA A 17 -12.086 1.721 -3.142 1.00 1.17 C ATOM 218 C ALA A 17 -11.922 0.713 -4.282 1.00 0.94 C ATOM 219 O ALA A 17 -12.908 0.187 -4.797 1.00 0.90 O ATOM 220 CB ALA A 17 -12.405 1.044 -1.808 1.00 1.51 C ATOM 0 H ALA A 17 -14.061 2.420 -3.089 1.00 0.92 H new ATOM 0 HA ALA A 17 -11.137 2.244 -3.024 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -11.609 0.343 -1.556 1.00 1.51 H new ATOM 0 HB2 ALA A 17 -12.484 1.799 -1.026 1.00 1.51 H new ATOM 0 HB3 ALA A 17 -13.350 0.506 -1.890 1.00 1.51 H new ATOM 226 N PRO A 18 -10.637 0.467 -4.651 1.00 0.91 N ATOM 227 CA PRO A 18 -10.330 -0.468 -5.720 1.00 0.82 C ATOM 228 C PRO A 18 -10.508 -1.913 -5.251 1.00 0.76 C ATOM 229 O PRO A 18 -10.773 -2.161 -4.076 1.00 1.18 O ATOM 230 CB PRO A 18 -8.902 -0.147 -6.126 1.00 0.97 C ATOM 231 CG PRO A 18 -8.305 0.635 -4.968 1.00 1.11 C ATOM 232 CD PRO A 18 -9.445 1.072 -4.063 1.00 1.09 C ATOM 0 HA PRO A 18 -11.003 -0.369 -6.572 1.00 0.82 H new ATOM 0 HB2 PRO A 18 -8.335 -1.059 -6.315 1.00 0.97 H new ATOM 0 HB3 PRO A 18 -8.880 0.438 -7.045 1.00 0.97 H new ATOM 0 HG2 PRO A 18 -7.595 0.018 -4.417 1.00 1.11 H new ATOM 0 HG3 PRO A 18 -7.756 1.502 -5.336 1.00 1.11 H new ATOM 0 HD2 PRO A 18 -9.291 0.730 -3.039 1.00 1.09 H new ATOM 0 HD3 PRO A 18 -9.529 2.158 -4.027 1.00 1.09 H new ATOM 240 N ALA A 19 -10.355 -2.831 -6.195 1.00 0.57 N ATOM 241 CA ALA A 19 -10.495 -4.245 -5.893 1.00 0.58 C ATOM 242 C ALA A 19 -9.287 -4.710 -5.078 1.00 0.52 C ATOM 243 O ALA A 19 -9.444 -5.282 -4.000 1.00 0.52 O ATOM 244 CB ALA A 19 -10.658 -5.031 -7.196 1.00 0.72 C ATOM 0 H ALA A 19 -10.136 -2.623 -7.169 1.00 0.57 H new ATOM 0 HA ALA A 19 -11.386 -4.423 -5.291 1.00 0.58 H new ATOM 0 HB1 ALA A 19 -10.763 -6.092 -6.970 1.00 0.72 H new ATOM 0 HB2 ALA A 19 -11.546 -4.682 -7.723 1.00 0.72 H new ATOM 0 HB3 ALA A 19 -9.781 -4.879 -7.825 1.00 0.72 H new ATOM 250 N LYS A 20 -8.109 -4.448 -5.623 1.00 0.48 N ATOM 251 CA LYS A 20 -6.874 -4.833 -4.960 1.00 0.45 C ATOM 252 C LYS A 20 -5.751 -3.889 -5.395 1.00 0.43 C ATOM 253 O LYS A 20 -5.778 -3.356 -6.504 1.00 0.48 O ATOM 254 CB LYS A 20 -6.569 -6.311 -5.212 1.00 0.51 C ATOM 255 CG LYS A 20 -6.423 -6.593 -6.708 1.00 0.59 C ATOM 256 CD LYS A 20 -7.086 -7.920 -7.083 1.00 1.47 C ATOM 257 CE LYS A 20 -7.957 -7.767 -8.332 1.00 2.08 C ATOM 258 NZ LYS A 20 -7.698 -8.871 -9.283 1.00 2.48 N ATOM 0 H LYS A 20 -7.983 -3.973 -6.517 1.00 0.48 H new ATOM 0 HA LYS A 20 -6.974 -4.732 -3.879 1.00 0.45 H new ATOM 0 HB2 LYS A 20 -5.651 -6.590 -4.694 1.00 0.51 H new ATOM 0 HB3 LYS A 20 -7.368 -6.927 -4.798 1.00 0.51 H new ATOM 0 HG2 LYS A 20 -6.874 -5.782 -7.280 1.00 0.59 H new ATOM 0 HG3 LYS A 20 -5.367 -6.622 -6.975 1.00 0.59 H new ATOM 0 HD2 LYS A 20 -6.320 -8.675 -7.260 1.00 1.47 H new ATOM 0 HD3 LYS A 20 -7.696 -8.273 -6.252 1.00 1.47 H new ATOM 0 HE2 LYS A 20 -9.010 -7.762 -8.050 1.00 2.08 H new ATOM 0 HE3 LYS A 20 -7.751 -6.810 -8.812 1.00 2.08 H new ATOM 0 HZ1 LYS A 20 -8.297 -8.752 -10.125 1.00 2.48 H new ATOM 0 HZ2 LYS A 20 -6.697 -8.858 -9.566 1.00 2.48 H new ATOM 0 HZ3 LYS A 20 -7.917 -9.780 -8.828 1.00 2.48 H new ATOM 272 N ILE A 21 -4.790 -3.714 -4.501 1.00 0.40 N ATOM 273 CA ILE A 21 -3.659 -2.845 -4.779 1.00 0.39 C ATOM 274 C ILE A 21 -2.596 -3.630 -5.550 1.00 0.38 C ATOM 275 O ILE A 21 -2.341 -4.795 -5.251 1.00 0.38 O ATOM 276 CB ILE A 21 -3.140 -2.211 -3.487 1.00 0.40 C ATOM 277 CG1 ILE A 21 -3.861 -0.894 -3.194 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.621 -2.033 -3.535 1.00 0.41 C ATOM 279 CD1 ILE A 21 -4.630 -0.972 -1.873 1.00 0.44 C ATOM 0 H ILE A 21 -4.771 -4.159 -3.583 1.00 0.40 H new ATOM 0 HA ILE A 21 -3.964 -2.013 -5.414 1.00 0.39 H new ATOM 0 HB ILE A 21 -3.359 -2.889 -2.662 1.00 0.40 H new ATOM 0 HG12 ILE A 21 -3.137 -0.081 -3.150 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.550 -0.664 -4.007 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -1.278 -1.580 -2.605 1.00 0.41 H new ATOM 0 HG22 ILE A 21 -1.145 -3.005 -3.663 1.00 0.41 H new ATOM 0 HG23 ILE A 21 -1.357 -1.387 -4.372 1.00 0.41 H new ATOM 0 HD11 ILE A 21 -5.133 -0.023 -1.688 1.00 0.44 H new ATOM 0 HD12 ILE A 21 -5.370 -1.770 -1.929 1.00 0.44 H new ATOM 0 HD13 ILE A 21 -3.935 -1.178 -1.059 1.00 0.44 H new ATOM 291 N GLU A 22 -2.003 -2.960 -6.528 1.00 0.40 N ATOM 292 CA GLU A 22 -0.973 -3.580 -7.343 1.00 0.41 C ATOM 293 C GLU A 22 0.389 -2.948 -7.050 1.00 0.39 C ATOM 294 O GLU A 22 0.471 -1.762 -6.728 1.00 0.37 O ATOM 295 CB GLU A 22 -1.316 -3.477 -8.831 1.00 0.41 C ATOM 296 CG GLU A 22 -1.300 -4.856 -9.493 1.00 0.48 C ATOM 297 CD GLU A 22 -1.513 -4.741 -11.004 1.00 1.11 C ATOM 298 OE1 GLU A 22 -1.170 -3.709 -11.602 1.00 1.74 O ATOM 299 OE2 GLU A 22 -2.055 -5.771 -11.559 1.00 1.86 O ATOM 0 H GLU A 22 -2.217 -1.993 -6.774 1.00 0.40 H new ATOM 0 HA GLU A 22 -0.923 -4.638 -7.087 1.00 0.41 H new ATOM 0 HB2 GLU A 22 -2.300 -3.023 -8.951 1.00 0.41 H new ATOM 0 HB3 GLU A 22 -0.601 -2.822 -9.329 1.00 0.41 H new ATOM 0 HG2 GLU A 22 -0.349 -5.349 -9.293 1.00 0.48 H new ATOM 0 HG3 GLU A 22 -2.080 -5.481 -9.059 1.00 0.48 H new ATOM 306 N LEU A 23 1.423 -3.765 -7.170 1.00 0.42 N ATOM 307 CA LEU A 23 2.778 -3.301 -6.922 1.00 0.44 C ATOM 308 C LEU A 23 3.745 -4.049 -7.842 1.00 0.46 C ATOM 309 O LEU A 23 3.564 -5.236 -8.106 1.00 0.48 O ATOM 310 CB LEU A 23 3.122 -3.424 -5.437 1.00 0.49 C ATOM 311 CG LEU A 23 2.214 -2.660 -4.473 1.00 0.46 C ATOM 312 CD1 LEU A 23 2.238 -3.292 -3.079 1.00 0.56 C ATOM 313 CD2 LEU A 23 2.579 -1.175 -4.434 1.00 0.42 C ATOM 0 H LEU A 23 1.351 -4.747 -7.436 1.00 0.42 H new ATOM 0 HA LEU A 23 2.868 -2.241 -7.160 1.00 0.44 H new ATOM 0 HB2 LEU A 23 3.100 -4.479 -5.166 1.00 0.49 H new ATOM 0 HB3 LEU A 23 4.145 -3.078 -5.292 1.00 0.49 H new ATOM 0 HG LEU A 23 1.191 -2.730 -4.842 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.584 -2.729 -2.413 1.00 0.56 H new ATOM 0 HD12 LEU A 23 1.892 -4.324 -3.141 1.00 0.56 H new ATOM 0 HD13 LEU A 23 3.256 -3.274 -2.689 1.00 0.56 H new ATOM 0 HD21 LEU A 23 1.917 -0.656 -3.741 1.00 0.42 H new ATOM 0 HD22 LEU A 23 3.612 -1.063 -4.103 1.00 0.42 H new ATOM 0 HD23 LEU A 23 2.468 -0.747 -5.430 1.00 0.42 H new ATOM 325 N HIS A 24 4.753 -3.322 -8.305 1.00 0.46 N ATOM 326 CA HIS A 24 5.749 -3.902 -9.189 1.00 0.49 C ATOM 327 C HIS A 24 7.135 -3.372 -8.817 1.00 0.49 C ATOM 328 O HIS A 24 7.254 -2.322 -8.189 1.00 0.51 O ATOM 329 CB HIS A 24 5.390 -3.646 -10.654 1.00 0.52 C ATOM 330 CG HIS A 24 4.359 -4.600 -11.209 1.00 0.55 C ATOM 331 ND1 HIS A 24 4.616 -5.943 -11.416 1.00 0.81 N ATOM 332 CD2 HIS A 24 3.067 -4.390 -11.595 1.00 0.55 C ATOM 333 CE1 HIS A 24 3.522 -6.507 -11.908 1.00 0.78 C ATOM 334 NE2 HIS A 24 2.563 -5.543 -12.018 1.00 0.59 N ATOM 0 H HIS A 24 4.900 -2.337 -8.084 1.00 0.46 H new ATOM 0 HA HIS A 24 5.766 -4.985 -9.064 1.00 0.49 H new ATOM 0 HB2 HIS A 24 5.018 -2.626 -10.753 1.00 0.52 H new ATOM 0 HB3 HIS A 24 6.296 -3.715 -11.257 1.00 0.52 H new ATOM 0 HD2 HIS A 24 2.543 -3.446 -11.562 1.00 0.55 H new ATOM 0 HE1 HIS A 24 3.410 -7.547 -12.175 1.00 0.78 H new ATOM 0 HE2 HIS A 24 1.615 -5.685 -12.368 1.00 0.59 H new ATOM 342 N PHE A 25 8.149 -4.122 -9.222 1.00 0.53 N ATOM 343 CA PHE A 25 9.523 -3.742 -8.940 1.00 0.57 C ATOM 344 C PHE A 25 10.483 -4.354 -9.961 1.00 0.64 C ATOM 345 O PHE A 25 10.689 -5.566 -9.975 1.00 0.84 O ATOM 346 CB PHE A 25 9.861 -4.285 -7.550 1.00 0.60 C ATOM 347 CG PHE A 25 9.488 -3.342 -6.405 1.00 0.61 C ATOM 348 CD1 PHE A 25 8.199 -3.268 -5.978 1.00 1.69 C ATOM 349 CD2 PHE A 25 10.444 -2.578 -5.814 1.00 1.95 C ATOM 350 CE1 PHE A 25 7.853 -2.393 -4.915 1.00 1.74 C ATOM 351 CE2 PHE A 25 10.099 -1.702 -4.751 1.00 2.16 C ATOM 352 CZ PHE A 25 8.810 -1.628 -4.324 1.00 1.16 C ATOM 0 H PHE A 25 8.046 -4.992 -9.744 1.00 0.53 H new ATOM 0 HA PHE A 25 9.626 -2.658 -8.990 1.00 0.57 H new ATOM 0 HB2 PHE A 25 9.345 -5.235 -7.407 1.00 0.60 H new ATOM 0 HB3 PHE A 25 10.930 -4.492 -7.502 1.00 0.60 H new ATOM 0 HD1 PHE A 25 7.439 -3.875 -6.447 1.00 1.69 H new ATOM 0 HD2 PHE A 25 11.468 -2.637 -6.153 1.00 1.95 H new ATOM 0 HE1 PHE A 25 6.829 -2.335 -4.575 1.00 1.74 H new ATOM 0 HE2 PHE A 25 10.859 -1.095 -4.282 1.00 2.16 H new ATOM 0 HZ PHE A 25 8.546 -0.962 -3.516 1.00 1.16 H new ATOM 362 N SER A 26 11.043 -3.487 -10.792 1.00 0.70 N ATOM 363 CA SER A 26 11.977 -3.927 -11.816 1.00 0.81 C ATOM 364 C SER A 26 13.280 -4.397 -11.167 1.00 0.84 C ATOM 365 O SER A 26 14.149 -4.949 -11.841 1.00 0.96 O ATOM 366 CB SER A 26 12.258 -2.810 -12.822 1.00 1.04 C ATOM 367 OG SER A 26 11.358 -2.849 -13.927 1.00 1.89 O ATOM 0 H SER A 26 10.868 -2.482 -10.777 1.00 0.70 H new ATOM 0 HA SER A 26 11.526 -4.760 -12.356 1.00 0.81 H new ATOM 0 HB2 SER A 26 12.178 -1.844 -12.323 1.00 1.04 H new ATOM 0 HB3 SER A 26 13.282 -2.898 -13.185 1.00 1.04 H new ATOM 0 HG SER A 26 11.568 -2.119 -14.546 1.00 1.89 H new ATOM 499 N GLY A 35 7.331 -4.695 2.508 1.00 0.69 N ATOM 500 CA GLY A 35 5.972 -4.970 2.945 1.00 0.69 C ATOM 501 C GLY A 35 5.053 -3.781 2.659 1.00 0.71 C ATOM 502 O GLY A 35 5.466 -2.811 2.026 1.00 0.99 O ATOM 0 HA2 GLY A 35 5.595 -5.857 2.435 1.00 0.69 H new ATOM 0 HA3 GLY A 35 5.967 -5.190 4.013 1.00 0.69 H new ATOM 506 N ALA A 36 3.824 -3.896 3.141 1.00 0.54 N ATOM 507 CA ALA A 36 2.842 -2.843 2.945 1.00 0.58 C ATOM 508 C ALA A 36 1.791 -2.919 4.054 1.00 0.56 C ATOM 509 O ALA A 36 1.559 -3.985 4.621 1.00 0.63 O ATOM 510 CB ALA A 36 2.228 -2.970 1.549 1.00 0.72 C ATOM 0 H ALA A 36 3.486 -4.702 3.667 1.00 0.54 H new ATOM 0 HA ALA A 36 3.314 -1.862 3.005 1.00 0.58 H new ATOM 0 HB1 ALA A 36 1.491 -2.180 1.402 1.00 0.72 H new ATOM 0 HB2 ALA A 36 3.012 -2.879 0.797 1.00 0.72 H new ATOM 0 HB3 ALA A 36 1.743 -3.941 1.452 1.00 0.72 H new ATOM 516 N LYS A 37 1.184 -1.773 4.329 1.00 0.51 N ATOM 517 CA LYS A 37 0.163 -1.697 5.360 1.00 0.53 C ATOM 518 C LYS A 37 -0.807 -0.562 5.027 1.00 0.49 C ATOM 519 O LYS A 37 -0.391 0.583 4.855 1.00 0.47 O ATOM 520 CB LYS A 37 0.806 -1.572 6.743 1.00 0.59 C ATOM 521 CG LYS A 37 0.796 -2.915 7.475 1.00 0.71 C ATOM 522 CD LYS A 37 1.325 -2.765 8.902 1.00 1.19 C ATOM 523 CE LYS A 37 0.182 -2.523 9.890 1.00 2.23 C ATOM 524 NZ LYS A 37 -0.508 -3.794 10.206 1.00 2.79 N ATOM 0 H LYS A 37 1.380 -0.891 3.856 1.00 0.51 H new ATOM 0 HA LYS A 37 -0.420 -2.617 5.388 1.00 0.53 H new ATOM 0 HB2 LYS A 37 1.832 -1.217 6.641 1.00 0.59 H new ATOM 0 HB3 LYS A 37 0.269 -0.829 7.332 1.00 0.59 H new ATOM 0 HG2 LYS A 37 -0.219 -3.312 7.499 1.00 0.71 H new ATOM 0 HG3 LYS A 37 1.407 -3.635 6.930 1.00 0.71 H new ATOM 0 HD2 LYS A 37 1.872 -3.664 9.187 1.00 1.19 H new ATOM 0 HD3 LYS A 37 2.030 -1.935 8.946 1.00 1.19 H new ATOM 0 HE2 LYS A 37 0.572 -2.077 10.805 1.00 2.23 H new ATOM 0 HE3 LYS A 37 -0.528 -1.812 9.467 1.00 2.23 H new ATOM 0 HZ1 LYS A 37 -1.473 -3.592 10.538 1.00 2.79 H new ATOM 0 HZ2 LYS A 37 -0.552 -4.387 9.352 1.00 2.79 H new ATOM 0 HZ3 LYS A 37 0.016 -4.298 10.950 1.00 2.79 H new ATOM 538 N LEU A 38 -2.081 -0.918 4.949 1.00 0.49 N ATOM 539 CA LEU A 38 -3.113 0.058 4.641 1.00 0.47 C ATOM 540 C LEU A 38 -3.727 0.573 5.944 1.00 0.48 C ATOM 541 O LEU A 38 -4.116 -0.215 6.805 1.00 0.56 O ATOM 542 CB LEU A 38 -4.136 -0.534 3.670 1.00 0.52 C ATOM 543 CG LEU A 38 -5.437 0.256 3.502 1.00 0.50 C ATOM 544 CD1 LEU A 38 -5.155 1.754 3.375 1.00 0.54 C ATOM 545 CD2 LEU A 38 -6.253 -0.277 2.323 1.00 0.74 C ATOM 0 H LEU A 38 -2.422 -1.868 5.094 1.00 0.49 H new ATOM 0 HA LEU A 38 -2.683 0.919 4.129 1.00 0.47 H new ATOM 0 HB2 LEU A 38 -3.665 -0.632 2.692 1.00 0.52 H new ATOM 0 HB3 LEU A 38 -4.386 -1.540 4.006 1.00 0.52 H new ATOM 0 HG LEU A 38 -6.040 0.117 4.399 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -6.095 2.292 3.257 1.00 0.54 H new ATOM 0 HD12 LEU A 38 -4.646 2.106 4.272 1.00 0.54 H new ATOM 0 HD13 LEU A 38 -4.523 1.933 2.505 1.00 0.54 H new ATOM 0 HD21 LEU A 38 -7.172 0.301 2.226 1.00 0.74 H new ATOM 0 HD22 LEU A 38 -5.669 -0.188 1.407 1.00 0.74 H new ATOM 0 HD23 LEU A 38 -6.500 -1.325 2.495 1.00 0.74 H new ATOM 557 N VAL A 39 -3.795 1.892 6.048 1.00 0.49 N ATOM 558 CA VAL A 39 -4.355 2.521 7.232 1.00 0.51 C ATOM 559 C VAL A 39 -5.488 3.463 6.816 1.00 0.49 C ATOM 560 O VAL A 39 -5.368 4.184 5.826 1.00 0.48 O ATOM 561 CB VAL A 39 -3.251 3.227 8.021 1.00 0.57 C ATOM 562 CG1 VAL A 39 -2.179 2.232 8.473 1.00 0.62 C ATOM 563 CG2 VAL A 39 -2.634 4.365 7.205 1.00 0.68 C ATOM 0 H VAL A 39 -3.472 2.542 5.332 1.00 0.49 H new ATOM 0 HA VAL A 39 -4.783 1.771 7.897 1.00 0.51 H new ATOM 0 HB VAL A 39 -3.703 3.662 8.913 1.00 0.57 H new ATOM 0 HG11 VAL A 39 -1.406 2.759 9.032 1.00 0.62 H new ATOM 0 HG12 VAL A 39 -2.633 1.473 9.110 1.00 0.62 H new ATOM 0 HG13 VAL A 39 -1.734 1.755 7.600 1.00 0.62 H new ATOM 0 HG21 VAL A 39 -1.852 4.850 7.790 1.00 0.68 H new ATOM 0 HG22 VAL A 39 -2.204 3.963 6.287 1.00 0.68 H new ATOM 0 HG23 VAL A 39 -3.405 5.094 6.956 1.00 0.68 H new ATOM 573 N MET A 40 -6.560 3.427 7.592 1.00 0.51 N ATOM 574 CA MET A 40 -7.712 4.267 7.317 1.00 0.51 C ATOM 575 C MET A 40 -7.626 5.586 8.089 1.00 0.57 C ATOM 576 O MET A 40 -8.016 5.654 9.254 1.00 0.61 O ATOM 577 CB MET A 40 -8.992 3.527 7.712 1.00 0.53 C ATOM 578 CG MET A 40 -10.204 4.457 7.653 1.00 0.59 C ATOM 579 SD MET A 40 -10.969 4.569 9.262 1.00 1.06 S ATOM 580 CE MET A 40 -12.140 3.226 9.142 1.00 2.23 C ATOM 0 H MET A 40 -6.655 2.828 8.412 1.00 0.51 H new ATOM 0 HA MET A 40 -7.727 4.492 6.250 1.00 0.51 H new ATOM 0 HB2 MET A 40 -9.147 2.679 7.044 1.00 0.53 H new ATOM 0 HB3 MET A 40 -8.887 3.124 8.719 1.00 0.53 H new ATOM 0 HG2 MET A 40 -9.896 5.448 7.318 1.00 0.59 H new ATOM 0 HG3 MET A 40 -10.924 4.084 6.925 1.00 0.59 H new ATOM 0 HE1 MET A 40 -12.707 3.154 10.070 1.00 2.23 H new ATOM 0 HE2 MET A 40 -12.823 3.412 8.313 1.00 2.23 H new ATOM 0 HE3 MET A 40 -11.606 2.292 8.970 1.00 2.23 H new ATOM 590 N THR A 41 -7.114 6.601 7.409 1.00 0.58 N ATOM 591 CA THR A 41 -6.972 7.913 8.016 1.00 0.65 C ATOM 592 C THR A 41 -7.870 8.929 7.307 1.00 0.69 C ATOM 593 O THR A 41 -7.385 9.782 6.567 1.00 0.81 O ATOM 594 CB THR A 41 -5.489 8.289 7.988 1.00 0.79 C ATOM 595 OG1 THR A 41 -5.476 9.676 8.314 1.00 0.76 O ATOM 596 CG2 THR A 41 -4.898 8.234 6.577 1.00 1.03 C ATOM 0 H THR A 41 -6.792 6.541 6.443 1.00 0.58 H new ATOM 0 HA THR A 41 -7.301 7.906 9.055 1.00 0.65 H new ATOM 0 HB THR A 41 -4.932 7.618 8.642 1.00 0.79 H new ATOM 0 HG1 THR A 41 -5.875 10.188 7.580 1.00 0.76 H new ATOM 0 HG21 THR A 41 -3.844 8.509 6.613 1.00 1.03 H new ATOM 0 HG22 THR A 41 -4.996 7.223 6.181 1.00 1.03 H new ATOM 0 HG23 THR A 41 -5.433 8.930 5.931 1.00 1.03 H new ATOM 604 N ALA A 42 -9.164 8.804 7.560 1.00 0.71 N ATOM 605 CA ALA A 42 -10.135 9.700 6.956 1.00 0.82 C ATOM 606 C ALA A 42 -9.571 11.122 6.943 1.00 1.23 C ATOM 607 O ALA A 42 -9.483 11.749 5.889 1.00 2.23 O ATOM 608 CB ALA A 42 -11.460 9.605 7.715 1.00 1.32 C ATOM 0 H ALA A 42 -9.563 8.095 8.176 1.00 0.71 H new ATOM 0 HA ALA A 42 -10.331 9.413 5.923 1.00 0.82 H new ATOM 0 HB1 ALA A 42 -12.188 10.277 7.261 1.00 1.32 H new ATOM 0 HB2 ALA A 42 -11.833 8.582 7.669 1.00 1.32 H new ATOM 0 HB3 ALA A 42 -11.304 9.888 8.756 1.00 1.32 H new ATOM 726 N MET A 51 -5.645 4.480 11.838 1.00 0.94 N ATOM 727 CA MET A 51 -5.759 3.086 12.235 1.00 1.06 C ATOM 728 C MET A 51 -5.458 2.156 11.058 1.00 0.88 C ATOM 729 O MET A 51 -5.670 2.521 9.902 1.00 1.09 O ATOM 730 CB MET A 51 -7.173 2.815 12.751 1.00 1.30 C ATOM 731 CG MET A 51 -7.253 3.021 14.265 1.00 1.87 C ATOM 732 SD MET A 51 -8.205 1.708 15.010 1.00 2.79 S ATOM 733 CE MET A 51 -8.624 2.474 16.567 1.00 3.03 C ATOM 0 HA MET A 51 -5.032 2.892 13.024 1.00 1.06 H new ATOM 0 HB2 MET A 51 -7.879 3.479 12.252 1.00 1.30 H new ATOM 0 HB3 MET A 51 -7.465 1.794 12.503 1.00 1.30 H new ATOM 0 HG2 MET A 51 -6.250 3.041 14.691 1.00 1.87 H new ATOM 0 HG3 MET A 51 -7.712 3.985 14.485 1.00 1.87 H new ATOM 0 HE1 MET A 51 -9.223 1.785 17.162 1.00 3.03 H new ATOM 0 HE2 MET A 51 -7.711 2.721 17.108 1.00 3.03 H new ATOM 0 HE3 MET A 51 -9.194 3.385 16.383 1.00 3.03 H new ATOM 743 N ALA A 52 -4.970 0.970 11.392 1.00 0.80 N ATOM 744 CA ALA A 52 -4.638 -0.015 10.376 1.00 0.73 C ATOM 745 C ALA A 52 -5.903 -0.777 9.979 1.00 0.66 C ATOM 746 O ALA A 52 -6.822 -0.925 10.783 1.00 0.69 O ATOM 747 CB ALA A 52 -3.541 -0.942 10.905 1.00 0.95 C ATOM 0 H ALA A 52 -4.797 0.669 12.351 1.00 0.80 H new ATOM 0 HA ALA A 52 -4.251 0.471 9.480 1.00 0.73 H new ATOM 0 HB1 ALA A 52 -3.291 -1.681 10.144 1.00 0.95 H new ATOM 0 HB2 ALA A 52 -2.654 -0.356 11.146 1.00 0.95 H new ATOM 0 HB3 ALA A 52 -3.895 -1.450 11.802 1.00 0.95 H new ATOM 753 N VAL A 53 -5.911 -1.241 8.738 1.00 0.63 N ATOM 754 CA VAL A 53 -7.049 -1.984 8.223 1.00 0.66 C ATOM 755 C VAL A 53 -6.690 -3.469 8.147 1.00 0.72 C ATOM 756 O VAL A 53 -5.519 -3.834 8.237 1.00 0.86 O ATOM 757 CB VAL A 53 -7.486 -1.404 6.877 1.00 0.67 C ATOM 758 CG1 VAL A 53 -6.608 -1.933 5.741 1.00 0.63 C ATOM 759 CG2 VAL A 53 -8.964 -1.696 6.608 1.00 0.83 C ATOM 0 H VAL A 53 -5.147 -1.117 8.074 1.00 0.63 H new ATOM 0 HA VAL A 53 -7.903 -1.890 8.894 1.00 0.66 H new ATOM 0 HB VAL A 53 -7.361 -0.322 6.922 1.00 0.67 H new ATOM 0 HG11 VAL A 53 -6.940 -1.505 4.795 1.00 0.63 H new ATOM 0 HG12 VAL A 53 -5.570 -1.652 5.922 1.00 0.63 H new ATOM 0 HG13 VAL A 53 -6.687 -3.019 5.696 1.00 0.63 H new ATOM 0 HG21 VAL A 53 -9.249 -1.273 5.645 1.00 0.83 H new ATOM 0 HG22 VAL A 53 -9.125 -2.774 6.593 1.00 0.83 H new ATOM 0 HG23 VAL A 53 -9.572 -1.249 7.395 1.00 0.83 H new ATOM 769 N LYS A 54 -7.720 -4.286 7.981 1.00 0.89 N ATOM 770 CA LYS A 54 -7.528 -5.724 7.892 1.00 1.02 C ATOM 771 C LYS A 54 -7.279 -6.110 6.432 1.00 0.92 C ATOM 772 O LYS A 54 -8.218 -6.208 5.644 1.00 1.06 O ATOM 773 CB LYS A 54 -8.705 -6.462 8.531 1.00 1.28 C ATOM 774 CG LYS A 54 -8.388 -6.851 9.976 1.00 1.67 C ATOM 775 CD LYS A 54 -9.593 -7.520 10.641 1.00 1.89 C ATOM 776 CE LYS A 54 -10.263 -6.576 11.640 1.00 3.39 C ATOM 777 NZ LYS A 54 -10.454 -7.249 12.944 1.00 3.62 N ATOM 0 H LYS A 54 -8.690 -3.980 7.906 1.00 0.89 H new ATOM 0 HA LYS A 54 -6.647 -6.027 8.458 1.00 1.02 H new ATOM 0 HB2 LYS A 54 -9.592 -5.829 8.507 1.00 1.28 H new ATOM 0 HB3 LYS A 54 -8.936 -7.356 7.952 1.00 1.28 H new ATOM 0 HG2 LYS A 54 -7.535 -7.529 9.995 1.00 1.67 H new ATOM 0 HG3 LYS A 54 -8.103 -5.964 10.541 1.00 1.67 H new ATOM 0 HD2 LYS A 54 -10.313 -7.820 9.879 1.00 1.89 H new ATOM 0 HD3 LYS A 54 -9.273 -8.428 11.152 1.00 1.89 H new ATOM 0 HE2 LYS A 54 -9.652 -5.683 11.771 1.00 3.39 H new ATOM 0 HE3 LYS A 54 -11.226 -6.248 11.249 1.00 3.39 H new ATOM 0 HZ1 LYS A 54 -10.910 -6.593 13.610 1.00 3.62 H new ATOM 0 HZ2 LYS A 54 -11.056 -8.088 12.817 1.00 3.62 H new ATOM 0 HZ3 LYS A 54 -9.530 -7.540 13.323 1.00 3.62 H new ATOM 791 N ALA A 55 -6.010 -6.321 6.117 1.00 0.82 N ATOM 792 CA ALA A 55 -5.625 -6.695 4.767 1.00 0.73 C ATOM 793 C ALA A 55 -4.402 -7.612 4.825 1.00 0.63 C ATOM 794 O ALA A 55 -3.818 -7.807 5.890 1.00 0.66 O ATOM 795 CB ALA A 55 -5.369 -5.433 3.941 1.00 0.79 C ATOM 0 H ALA A 55 -5.234 -6.240 6.774 1.00 0.82 H new ATOM 0 HA ALA A 55 -6.428 -7.247 4.278 1.00 0.73 H new ATOM 0 HB1 ALA A 55 -5.080 -5.713 2.928 1.00 0.79 H new ATOM 0 HB2 ALA A 55 -6.277 -4.831 3.906 1.00 0.79 H new ATOM 0 HB3 ALA A 55 -4.567 -4.854 4.400 1.00 0.79 H new ATOM 801 N ALA A 56 -4.052 -8.152 3.667 1.00 0.59 N ATOM 802 CA ALA A 56 -2.909 -9.044 3.572 1.00 0.56 C ATOM 803 C ALA A 56 -2.184 -8.799 2.248 1.00 0.54 C ATOM 804 O ALA A 56 -2.821 -8.566 1.221 1.00 0.66 O ATOM 805 CB ALA A 56 -3.379 -10.493 3.721 1.00 0.66 C ATOM 0 H ALA A 56 -4.540 -7.989 2.786 1.00 0.59 H new ATOM 0 HA ALA A 56 -2.200 -8.847 4.376 1.00 0.56 H new ATOM 0 HB1 ALA A 56 -2.522 -11.163 3.650 1.00 0.66 H new ATOM 0 HB2 ALA A 56 -3.860 -10.622 4.690 1.00 0.66 H new ATOM 0 HB3 ALA A 56 -4.090 -10.728 2.929 1.00 0.66 H new ATOM 811 N VAL A 57 -0.862 -8.860 2.313 1.00 0.52 N ATOM 812 CA VAL A 57 -0.043 -8.647 1.132 1.00 0.51 C ATOM 813 C VAL A 57 0.295 -9.999 0.501 1.00 0.57 C ATOM 814 O VAL A 57 0.832 -10.882 1.166 1.00 0.62 O ATOM 815 CB VAL A 57 1.199 -7.830 1.496 1.00 0.54 C ATOM 816 CG1 VAL A 57 1.993 -8.509 2.613 1.00 1.88 C ATOM 817 CG2 VAL A 57 2.077 -7.591 0.266 1.00 1.98 C ATOM 0 H VAL A 57 -0.337 -9.054 3.166 1.00 0.52 H new ATOM 0 HA VAL A 57 -0.590 -8.068 0.388 1.00 0.51 H new ATOM 0 HB VAL A 57 0.866 -6.859 1.864 1.00 0.54 H new ATOM 0 HG11 VAL A 57 2.870 -7.908 2.853 1.00 1.88 H new ATOM 0 HG12 VAL A 57 1.366 -8.605 3.499 1.00 1.88 H new ATOM 0 HG13 VAL A 57 2.310 -9.499 2.284 1.00 1.88 H new ATOM 0 HG21 VAL A 57 2.953 -7.008 0.552 1.00 1.98 H new ATOM 0 HG22 VAL A 57 2.397 -8.549 -0.145 1.00 1.98 H new ATOM 0 HG23 VAL A 57 1.508 -7.045 -0.487 1.00 1.98 H new ATOM 827 N SER A 58 -0.036 -10.118 -0.777 1.00 0.59 N ATOM 828 CA SER A 58 0.226 -11.348 -1.506 1.00 0.69 C ATOM 829 C SER A 58 0.906 -11.031 -2.840 1.00 0.69 C ATOM 830 O SER A 58 0.529 -10.080 -3.521 1.00 1.03 O ATOM 831 CB SER A 58 -1.066 -12.133 -1.742 1.00 0.83 C ATOM 832 OG SER A 58 -1.956 -12.042 -0.634 1.00 0.98 O ATOM 0 H SER A 58 -0.483 -9.384 -1.326 1.00 0.59 H new ATOM 0 HA SER A 58 0.891 -11.967 -0.905 1.00 0.69 H new ATOM 0 HB2 SER A 58 -1.561 -11.755 -2.637 1.00 0.83 H new ATOM 0 HB3 SER A 58 -0.825 -13.180 -1.929 1.00 0.83 H new ATOM 0 HG SER A 58 -2.769 -12.555 -0.825 1.00 0.98 H new ATOM 838 N GLY A 59 1.897 -11.847 -3.171 1.00 0.65 N ATOM 839 CA GLY A 59 2.632 -11.665 -4.410 1.00 0.64 C ATOM 840 C GLY A 59 2.063 -12.552 -5.521 1.00 0.82 C ATOM 841 O GLY A 59 1.329 -13.501 -5.247 1.00 0.97 O ATOM 0 H GLY A 59 2.207 -12.635 -2.602 1.00 0.65 H new ATOM 0 HA2 GLY A 59 2.585 -10.619 -4.715 1.00 0.64 H new ATOM 0 HA3 GLY A 59 3.684 -11.904 -4.252 1.00 0.64 H new ATOM 885 N LYS A 64 8.919 -10.164 -7.300 1.00 0.80 N ATOM 886 CA LYS A 64 9.048 -8.801 -7.787 1.00 0.69 C ATOM 887 C LYS A 64 7.656 -8.189 -7.952 1.00 0.59 C ATOM 888 O LYS A 64 7.520 -6.973 -8.076 1.00 0.64 O ATOM 889 CB LYS A 64 9.891 -8.766 -9.063 1.00 0.73 C ATOM 890 CG LYS A 64 9.145 -9.414 -10.232 1.00 0.83 C ATOM 891 CD LYS A 64 8.951 -8.418 -11.378 1.00 1.30 C ATOM 892 CE LYS A 64 8.410 -9.117 -12.626 1.00 1.75 C ATOM 893 NZ LYS A 64 7.763 -8.139 -13.529 1.00 2.84 N ATOM 0 HA LYS A 64 9.582 -8.186 -7.063 1.00 0.69 H new ATOM 0 HB2 LYS A 64 10.138 -7.734 -9.312 1.00 0.73 H new ATOM 0 HB3 LYS A 64 10.833 -9.287 -8.895 1.00 0.73 H new ATOM 0 HG2 LYS A 64 9.702 -10.280 -10.589 1.00 0.83 H new ATOM 0 HG3 LYS A 64 8.175 -9.777 -9.893 1.00 0.83 H new ATOM 0 HD2 LYS A 64 8.261 -7.633 -11.069 1.00 1.30 H new ATOM 0 HD3 LYS A 64 9.900 -7.935 -11.610 1.00 1.30 H new ATOM 0 HE2 LYS A 64 9.223 -9.621 -13.149 1.00 1.75 H new ATOM 0 HE3 LYS A 64 7.692 -9.885 -12.338 1.00 1.75 H new ATOM 0 HZ1 LYS A 64 7.401 -8.630 -14.371 1.00 2.84 H new ATOM 0 HZ2 LYS A 64 6.975 -7.677 -13.033 1.00 2.84 H new ATOM 0 HZ3 LYS A 64 8.458 -7.421 -13.819 1.00 2.84 H new ATOM 907 N THR A 65 6.657 -9.060 -7.948 1.00 0.66 N ATOM 908 CA THR A 65 5.281 -8.620 -8.096 1.00 0.65 C ATOM 909 C THR A 65 4.536 -8.742 -6.766 1.00 0.59 C ATOM 910 O THR A 65 4.632 -9.765 -6.088 1.00 0.77 O ATOM 911 CB THR A 65 4.644 -9.431 -9.226 1.00 0.86 C ATOM 912 OG1 THR A 65 5.041 -8.747 -10.412 1.00 0.89 O ATOM 913 CG2 THR A 65 3.118 -9.330 -9.230 1.00 1.05 C ATOM 0 H THR A 65 6.774 -10.068 -7.845 1.00 0.66 H new ATOM 0 HA THR A 65 5.230 -7.565 -8.365 1.00 0.65 H new ATOM 0 HB THR A 65 4.938 -10.476 -9.133 1.00 0.86 H new ATOM 0 HG1 THR A 65 4.672 -9.207 -11.194 1.00 0.89 H new ATOM 0 HG21 THR A 65 2.716 -9.924 -10.051 1.00 1.05 H new ATOM 0 HG22 THR A 65 2.726 -9.706 -8.285 1.00 1.05 H new ATOM 0 HG23 THR A 65 2.823 -8.288 -9.357 1.00 1.05 H new ATOM 921 N MET A 66 3.811 -7.685 -6.429 1.00 0.58 N ATOM 922 CA MET A 66 3.051 -7.662 -5.192 1.00 0.52 C ATOM 923 C MET A 66 1.627 -7.154 -5.433 1.00 0.43 C ATOM 924 O MET A 66 1.402 -6.316 -6.305 1.00 0.39 O ATOM 925 CB MET A 66 3.752 -6.755 -4.179 1.00 0.51 C ATOM 926 CG MET A 66 4.241 -7.556 -2.971 1.00 0.61 C ATOM 927 SD MET A 66 5.421 -8.789 -3.495 1.00 1.55 S ATOM 928 CE MET A 66 6.577 -7.756 -4.378 1.00 0.75 C ATOM 0 H MET A 66 3.734 -6.838 -6.992 1.00 0.58 H new ATOM 0 HA MET A 66 2.993 -8.679 -4.804 1.00 0.52 H new ATOM 0 HB2 MET A 66 4.596 -6.257 -4.655 1.00 0.51 H new ATOM 0 HB3 MET A 66 3.066 -5.975 -3.849 1.00 0.51 H new ATOM 0 HG2 MET A 66 4.700 -6.888 -2.242 1.00 0.61 H new ATOM 0 HG3 MET A 66 3.397 -8.036 -2.476 1.00 0.61 H new ATOM 0 HE1 MET A 66 7.476 -8.328 -4.605 1.00 0.75 H new ATOM 0 HE2 MET A 66 6.122 -7.412 -5.306 1.00 0.75 H new ATOM 0 HE3 MET A 66 6.840 -6.896 -3.762 1.00 0.75 H new ATOM 938 N VAL A 67 0.703 -7.682 -4.644 1.00 0.47 N ATOM 939 CA VAL A 67 -0.692 -7.292 -4.760 1.00 0.43 C ATOM 940 C VAL A 67 -1.342 -7.323 -3.375 1.00 0.47 C ATOM 941 O VAL A 67 -1.421 -8.377 -2.745 1.00 0.60 O ATOM 942 CB VAL A 67 -1.403 -8.190 -5.774 1.00 0.49 C ATOM 943 CG1 VAL A 67 -1.202 -7.673 -7.200 1.00 1.89 C ATOM 944 CG2 VAL A 67 -0.934 -9.641 -5.646 1.00 1.75 C ATOM 0 H VAL A 67 0.893 -8.377 -3.922 1.00 0.47 H new ATOM 0 HA VAL A 67 -0.774 -6.272 -5.135 1.00 0.43 H new ATOM 0 HB VAL A 67 -2.470 -8.162 -5.555 1.00 0.49 H new ATOM 0 HG11 VAL A 67 -1.718 -8.329 -7.901 1.00 1.89 H new ATOM 0 HG12 VAL A 67 -1.607 -6.665 -7.282 1.00 1.89 H new ATOM 0 HG13 VAL A 67 -0.138 -7.656 -7.434 1.00 1.89 H new ATOM 0 HG21 VAL A 67 -1.455 -10.258 -6.378 1.00 1.75 H new ATOM 0 HG22 VAL A 67 0.140 -9.694 -5.826 1.00 1.75 H new ATOM 0 HG23 VAL A 67 -1.152 -10.007 -4.643 1.00 1.75 H new ATOM 954 N ILE A 68 -1.792 -6.154 -2.942 1.00 0.40 N ATOM 955 CA ILE A 68 -2.433 -6.033 -1.644 1.00 0.43 C ATOM 956 C ILE A 68 -3.923 -6.352 -1.785 1.00 0.43 C ATOM 957 O ILE A 68 -4.610 -5.767 -2.620 1.00 0.44 O ATOM 958 CB ILE A 68 -2.153 -4.659 -1.034 1.00 0.47 C ATOM 959 CG1 ILE A 68 -0.936 -4.707 -0.107 1.00 0.50 C ATOM 960 CG2 ILE A 68 -3.393 -4.111 -0.324 1.00 0.53 C ATOM 961 CD1 ILE A 68 0.365 -4.719 -0.911 1.00 0.52 C ATOM 0 H ILE A 68 -1.725 -5.282 -3.467 1.00 0.40 H new ATOM 0 HA ILE A 68 -2.016 -6.757 -0.944 1.00 0.43 H new ATOM 0 HB ILE A 68 -1.914 -3.969 -1.843 1.00 0.47 H new ATOM 0 HG12 ILE A 68 -0.948 -3.845 0.560 1.00 0.50 H new ATOM 0 HG13 ILE A 68 -0.988 -5.596 0.521 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -3.167 -3.133 0.101 1.00 0.53 H new ATOM 0 HG22 ILE A 68 -4.210 -4.016 -1.040 1.00 0.53 H new ATOM 0 HG23 ILE A 68 -3.687 -4.794 0.473 1.00 0.53 H new ATOM 0 HD11 ILE A 68 1.214 -4.753 -0.228 1.00 0.52 H new ATOM 0 HD12 ILE A 68 0.384 -5.596 -1.559 1.00 0.52 H new ATOM 0 HD13 ILE A 68 0.425 -3.817 -1.520 1.00 0.52 H new ATOM 973 N THR A 69 -4.379 -7.279 -0.954 1.00 0.45 N ATOM 974 CA THR A 69 -5.774 -7.682 -0.974 1.00 0.48 C ATOM 975 C THR A 69 -6.368 -7.619 0.434 1.00 0.51 C ATOM 976 O THR A 69 -5.999 -8.407 1.303 1.00 0.55 O ATOM 977 CB THR A 69 -5.855 -9.073 -1.606 1.00 0.52 C ATOM 978 OG1 THR A 69 -6.540 -8.855 -2.837 1.00 0.59 O ATOM 979 CG2 THR A 69 -6.775 -10.016 -0.829 1.00 0.52 C ATOM 0 H THR A 69 -3.806 -7.762 -0.262 1.00 0.45 H new ATOM 0 HA THR A 69 -6.374 -7.000 -1.576 1.00 0.48 H new ATOM 0 HB THR A 69 -4.856 -9.506 -1.662 1.00 0.52 H new ATOM 0 HG1 THR A 69 -6.635 -9.706 -3.314 1.00 0.59 H new ATOM 0 HG21 THR A 69 -6.797 -10.989 -1.320 1.00 0.52 H new ATOM 0 HG22 THR A 69 -6.402 -10.131 0.189 1.00 0.52 H new ATOM 0 HG23 THR A 69 -7.782 -9.601 -0.802 1.00 0.52 H new ATOM 987 N PRO A 70 -7.303 -6.648 0.620 1.00 0.56 N ATOM 988 CA PRO A 70 -7.952 -6.473 1.908 1.00 0.63 C ATOM 989 C PRO A 70 -8.991 -7.569 2.154 1.00 0.59 C ATOM 990 O PRO A 70 -9.781 -7.889 1.267 1.00 0.61 O ATOM 991 CB PRO A 70 -8.559 -5.080 1.856 1.00 0.76 C ATOM 992 CG PRO A 70 -8.629 -4.711 0.384 1.00 0.78 C ATOM 993 CD PRO A 70 -7.765 -5.697 -0.386 1.00 0.65 C ATOM 0 HA PRO A 70 -7.258 -6.560 2.744 1.00 0.63 H new ATOM 0 HB2 PRO A 70 -9.550 -5.069 2.309 1.00 0.76 H new ATOM 0 HB3 PRO A 70 -7.948 -4.367 2.409 1.00 0.76 H new ATOM 0 HG2 PRO A 70 -9.659 -4.749 0.030 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -8.276 -3.692 0.229 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -8.335 -6.195 -1.170 1.00 0.65 H new ATOM 0 HD3 PRO A 70 -6.928 -5.195 -0.871 1.00 0.65 H new ATOM 1001 N ALA A 71 -8.956 -8.113 3.360 1.00 0.61 N ATOM 1002 CA ALA A 71 -9.886 -9.167 3.733 1.00 0.62 C ATOM 1003 C ALA A 71 -11.269 -8.559 3.973 1.00 0.65 C ATOM 1004 O ALA A 71 -12.278 -9.260 3.909 1.00 0.77 O ATOM 1005 CB ALA A 71 -9.352 -9.907 4.961 1.00 0.66 C ATOM 0 H ALA A 71 -8.299 -7.845 4.093 1.00 0.61 H new ATOM 0 HA ALA A 71 -9.983 -9.897 2.929 1.00 0.62 H new ATOM 0 HB1 ALA A 71 -10.049 -10.697 5.241 1.00 0.66 H new ATOM 0 HB2 ALA A 71 -8.381 -10.345 4.728 1.00 0.66 H new ATOM 0 HB3 ALA A 71 -9.245 -9.207 5.790 1.00 0.66 H new ATOM 1011 N SER A 72 -11.271 -7.263 4.246 1.00 0.66 N ATOM 1012 CA SER A 72 -12.515 -6.553 4.496 1.00 0.70 C ATOM 1013 C SER A 72 -12.752 -5.511 3.403 1.00 0.64 C ATOM 1014 O SER A 72 -11.810 -5.068 2.747 1.00 0.61 O ATOM 1015 CB SER A 72 -12.499 -5.884 5.873 1.00 0.78 C ATOM 1016 OG SER A 72 -13.737 -6.045 6.559 1.00 0.95 O ATOM 0 H SER A 72 -10.432 -6.686 4.300 1.00 0.66 H new ATOM 0 HA SER A 72 -13.331 -7.276 4.482 1.00 0.70 H new ATOM 0 HB2 SER A 72 -11.694 -6.309 6.473 1.00 0.78 H new ATOM 0 HB3 SER A 72 -12.284 -4.822 5.757 1.00 0.78 H new ATOM 0 HG SER A 72 -13.686 -5.606 7.434 1.00 0.95 H new ATOM 1022 N PRO A 73 -14.050 -5.141 3.234 1.00 0.68 N ATOM 1023 CA PRO A 73 -14.423 -4.159 2.229 1.00 0.70 C ATOM 1024 C PRO A 73 -14.041 -2.746 2.676 1.00 0.59 C ATOM 1025 O PRO A 73 -14.371 -2.332 3.786 1.00 0.61 O ATOM 1026 CB PRO A 73 -15.920 -4.338 2.041 1.00 0.86 C ATOM 1027 CG PRO A 73 -16.409 -5.085 3.272 1.00 0.87 C ATOM 1028 CD PRO A 73 -15.191 -5.645 3.991 1.00 0.77 C ATOM 0 HA PRO A 73 -13.897 -4.302 1.285 1.00 0.70 H new ATOM 0 HB2 PRO A 73 -16.420 -3.374 1.945 1.00 0.86 H new ATOM 0 HB3 PRO A 73 -16.135 -4.900 1.132 1.00 0.86 H new ATOM 0 HG2 PRO A 73 -16.966 -4.416 3.928 1.00 0.87 H new ATOM 0 HG3 PRO A 73 -17.087 -5.889 2.986 1.00 0.87 H new ATOM 0 HD2 PRO A 73 -15.156 -5.313 5.028 1.00 0.77 H new ATOM 0 HD3 PRO A 73 -15.206 -6.735 4.006 1.00 0.77 H new ATOM 1036 N LEU A 74 -13.352 -2.045 1.788 1.00 0.55 N ATOM 1037 CA LEU A 74 -12.922 -0.688 2.075 1.00 0.51 C ATOM 1038 C LEU A 74 -14.116 0.259 1.947 1.00 0.61 C ATOM 1039 O LEU A 74 -14.673 0.418 0.862 1.00 0.71 O ATOM 1040 CB LEU A 74 -11.734 -0.303 1.192 1.00 0.53 C ATOM 1041 CG LEU A 74 -10.505 -1.209 1.287 1.00 0.51 C ATOM 1042 CD1 LEU A 74 -9.573 -0.997 0.092 1.00 0.59 C ATOM 1043 CD2 LEU A 74 -9.781 -1.013 2.620 1.00 0.50 C ATOM 0 H LEU A 74 -13.081 -2.392 0.868 1.00 0.55 H new ATOM 0 HA LEU A 74 -12.563 -0.612 3.101 1.00 0.51 H new ATOM 0 HB2 LEU A 74 -12.069 -0.286 0.155 1.00 0.53 H new ATOM 0 HB3 LEU A 74 -11.432 0.713 1.446 1.00 0.53 H new ATOM 0 HG LEU A 74 -10.842 -2.245 1.253 1.00 0.51 H new ATOM 0 HD11 LEU A 74 -8.708 -1.653 0.185 1.00 0.59 H new ATOM 0 HD12 LEU A 74 -10.106 -1.227 -0.830 1.00 0.59 H new ATOM 0 HD13 LEU A 74 -9.241 0.041 0.069 1.00 0.59 H new ATOM 0 HD21 LEU A 74 -8.911 -1.669 2.662 1.00 0.50 H new ATOM 0 HD22 LEU A 74 -9.458 0.024 2.710 1.00 0.50 H new ATOM 0 HD23 LEU A 74 -10.457 -1.255 3.440 1.00 0.50 H new ATOM 1055 N THR A 75 -14.474 0.864 3.070 1.00 0.64 N ATOM 1056 CA THR A 75 -15.593 1.791 3.097 1.00 0.78 C ATOM 1057 C THR A 75 -15.133 3.193 2.693 1.00 0.74 C ATOM 1058 O THR A 75 -13.939 3.485 2.700 1.00 0.73 O ATOM 1059 CB THR A 75 -16.221 1.735 4.491 1.00 0.93 C ATOM 1060 OG1 THR A 75 -15.334 2.503 5.301 1.00 1.02 O ATOM 1061 CG2 THR A 75 -16.166 0.334 5.102 1.00 1.16 C ATOM 0 H THR A 75 -14.009 0.730 3.968 1.00 0.64 H new ATOM 0 HA THR A 75 -16.356 1.511 2.371 1.00 0.78 H new ATOM 0 HB THR A 75 -17.258 2.066 4.436 1.00 0.93 H new ATOM 0 HG1 THR A 75 -14.437 2.491 4.906 1.00 1.02 H new ATOM 0 HG21 THR A 75 -16.625 0.350 6.091 1.00 1.16 H new ATOM 0 HG22 THR A 75 -16.707 -0.363 4.462 1.00 1.16 H new ATOM 0 HG23 THR A 75 -15.127 0.016 5.189 1.00 1.16 H new ATOM 1069 N ALA A 76 -16.107 4.025 2.351 1.00 0.76 N ATOM 1070 CA ALA A 76 -15.817 5.389 1.945 1.00 0.76 C ATOM 1071 C ALA A 76 -14.848 6.020 2.946 1.00 0.77 C ATOM 1072 O ALA A 76 -14.546 5.428 3.982 1.00 0.88 O ATOM 1073 CB ALA A 76 -17.124 6.175 1.825 1.00 0.85 C ATOM 0 H ALA A 76 -17.097 3.780 2.347 1.00 0.76 H new ATOM 0 HA ALA A 76 -15.336 5.404 0.967 1.00 0.76 H new ATOM 0 HB1 ALA A 76 -16.906 7.199 1.520 1.00 0.85 H new ATOM 0 HB2 ALA A 76 -17.765 5.703 1.080 1.00 0.85 H new ATOM 0 HB3 ALA A 76 -17.633 6.184 2.789 1.00 0.85 H new ATOM 1079 N GLY A 77 -14.386 7.214 2.603 1.00 0.74 N ATOM 1080 CA GLY A 77 -13.456 7.931 3.460 1.00 0.76 C ATOM 1081 C GLY A 77 -12.097 8.097 2.777 1.00 0.71 C ATOM 1082 O GLY A 77 -12.014 8.119 1.550 1.00 0.70 O ATOM 0 H GLY A 77 -14.638 7.703 1.744 1.00 0.74 H new ATOM 0 HA2 GLY A 77 -13.865 8.911 3.707 1.00 0.76 H new ATOM 0 HA3 GLY A 77 -13.332 7.392 4.399 1.00 0.76 H new ATOM 1086 N THR A 78 -11.066 8.209 3.601 1.00 0.72 N ATOM 1087 CA THR A 78 -9.715 8.372 3.092 1.00 0.69 C ATOM 1088 C THR A 78 -8.764 7.391 3.780 1.00 0.59 C ATOM 1089 O THR A 78 -8.868 7.161 4.984 1.00 0.58 O ATOM 1090 CB THR A 78 -9.315 9.837 3.275 1.00 0.79 C ATOM 1091 OG1 THR A 78 -10.230 10.553 2.451 1.00 0.88 O ATOM 1092 CG2 THR A 78 -7.945 10.150 2.668 1.00 0.79 C ATOM 0 H THR A 78 -11.139 8.190 4.618 1.00 0.72 H new ATOM 0 HA THR A 78 -9.661 8.136 2.029 1.00 0.69 H new ATOM 0 HB THR A 78 -9.306 10.080 4.337 1.00 0.79 H new ATOM 0 HG1 THR A 78 -9.874 11.447 2.267 1.00 0.88 H new ATOM 0 HG21 THR A 78 -7.709 11.202 2.825 1.00 0.79 H new ATOM 0 HG22 THR A 78 -7.185 9.532 3.147 1.00 0.79 H new ATOM 0 HG23 THR A 78 -7.964 9.938 1.599 1.00 0.79 H new ATOM 1100 N TYR A 79 -7.857 6.840 2.987 1.00 0.56 N ATOM 1101 CA TYR A 79 -6.888 5.889 3.504 1.00 0.49 C ATOM 1102 C TYR A 79 -5.509 6.119 2.884 1.00 0.50 C ATOM 1103 O TYR A 79 -5.376 6.869 1.917 1.00 0.57 O ATOM 1104 CB TYR A 79 -7.394 4.506 3.095 1.00 0.45 C ATOM 1105 CG TYR A 79 -8.815 4.196 3.570 1.00 0.48 C ATOM 1106 CD1 TYR A 79 -9.884 4.900 3.055 1.00 1.76 C ATOM 1107 CD2 TYR A 79 -9.027 3.212 4.515 1.00 1.95 C ATOM 1108 CE1 TYR A 79 -11.221 4.609 3.503 1.00 1.76 C ATOM 1109 CE2 TYR A 79 -10.364 2.921 4.963 1.00 1.99 C ATOM 1110 CZ TYR A 79 -11.395 3.635 4.435 1.00 0.62 C ATOM 1111 OH TYR A 79 -12.659 3.360 4.859 1.00 0.72 O ATOM 0 H TYR A 79 -7.773 7.034 1.989 1.00 0.56 H new ATOM 0 HA TYR A 79 -6.787 5.994 4.584 1.00 0.49 H new ATOM 0 HB2 TYR A 79 -7.360 4.425 2.009 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.716 3.751 3.493 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -9.718 5.670 2.316 1.00 1.76 H new ATOM 0 HD2 TYR A 79 -8.190 2.661 4.918 1.00 1.95 H new ATOM 0 HE1 TYR A 79 -12.066 5.152 3.108 1.00 1.76 H new ATOM 0 HE2 TYR A 79 -10.544 2.154 5.701 1.00 1.99 H new ATOM 0 HH TYR A 79 -13.304 3.841 4.299 1.00 0.72 H new ATOM 1121 N LYS A 80 -4.517 5.462 3.464 1.00 0.49 N ATOM 1122 CA LYS A 80 -3.152 5.585 2.981 1.00 0.52 C ATOM 1123 C LYS A 80 -2.468 4.218 3.041 1.00 0.47 C ATOM 1124 O LYS A 80 -2.390 3.606 4.105 1.00 0.50 O ATOM 1125 CB LYS A 80 -2.408 6.679 3.749 1.00 0.64 C ATOM 1126 CG LYS A 80 -2.340 7.973 2.935 1.00 1.41 C ATOM 1127 CD LYS A 80 -2.523 9.197 3.834 1.00 2.78 C ATOM 1128 CE LYS A 80 -1.469 10.263 3.530 1.00 2.86 C ATOM 1129 NZ LYS A 80 -0.641 10.529 4.727 1.00 2.51 N ATOM 0 H LYS A 80 -4.631 4.841 4.265 1.00 0.49 H new ATOM 0 HA LYS A 80 -3.145 5.899 1.937 1.00 0.52 H new ATOM 0 HB2 LYS A 80 -2.911 6.868 4.697 1.00 0.64 H new ATOM 0 HB3 LYS A 80 -1.399 6.340 3.985 1.00 0.64 H new ATOM 0 HG2 LYS A 80 -1.380 8.034 2.422 1.00 1.41 H new ATOM 0 HG3 LYS A 80 -3.112 7.964 2.166 1.00 1.41 H new ATOM 0 HD2 LYS A 80 -3.520 9.614 3.688 1.00 2.78 H new ATOM 0 HD3 LYS A 80 -2.452 8.898 4.880 1.00 2.78 H new ATOM 0 HE2 LYS A 80 -0.835 9.932 2.708 1.00 2.86 H new ATOM 0 HE3 LYS A 80 -1.956 11.183 3.206 1.00 2.86 H new ATOM 0 HZ1 LYS A 80 0.069 11.255 4.503 1.00 2.51 H new ATOM 0 HZ2 LYS A 80 -1.248 10.866 5.501 1.00 2.51 H new ATOM 0 HZ3 LYS A 80 -0.161 9.654 5.019 1.00 2.51 H new ATOM 1143 N VAL A 81 -1.992 3.779 1.885 1.00 0.49 N ATOM 1144 CA VAL A 81 -1.317 2.494 1.793 1.00 0.46 C ATOM 1145 C VAL A 81 0.197 2.715 1.825 1.00 0.49 C ATOM 1146 O VAL A 81 0.795 3.094 0.819 1.00 0.64 O ATOM 1147 CB VAL A 81 -1.786 1.747 0.544 1.00 0.41 C ATOM 1148 CG1 VAL A 81 -1.032 0.424 0.382 1.00 0.52 C ATOM 1149 CG2 VAL A 81 -3.298 1.516 0.577 1.00 0.46 C ATOM 0 H VAL A 81 -2.060 4.289 1.004 1.00 0.49 H new ATOM 0 HA VAL A 81 -1.571 1.866 2.647 1.00 0.46 H new ATOM 0 HB VAL A 81 -1.562 2.369 -0.322 1.00 0.41 H new ATOM 0 HG11 VAL A 81 -1.384 -0.088 -0.514 1.00 0.52 H new ATOM 0 HG12 VAL A 81 0.036 0.623 0.290 1.00 0.52 H new ATOM 0 HG13 VAL A 81 -1.210 -0.206 1.254 1.00 0.52 H new ATOM 0 HG21 VAL A 81 -3.604 0.983 -0.323 1.00 0.46 H new ATOM 0 HG22 VAL A 81 -3.557 0.924 1.455 1.00 0.46 H new ATOM 0 HG23 VAL A 81 -3.812 2.476 0.623 1.00 0.46 H new ATOM 1159 N ASP A 82 0.773 2.468 2.992 1.00 0.46 N ATOM 1160 CA ASP A 82 2.206 2.635 3.169 1.00 0.49 C ATOM 1161 C ASP A 82 2.919 1.343 2.768 1.00 0.48 C ATOM 1162 O ASP A 82 2.668 0.286 3.347 1.00 0.53 O ATOM 1163 CB ASP A 82 2.550 2.932 4.631 1.00 0.59 C ATOM 1164 CG ASP A 82 1.986 4.246 5.174 1.00 0.84 C ATOM 1165 OD1 ASP A 82 0.977 4.763 4.673 1.00 1.43 O ATOM 1166 OD2 ASP A 82 2.637 4.748 6.169 1.00 1.89 O ATOM 0 H ASP A 82 0.274 2.154 3.824 1.00 0.46 H new ATOM 0 HA ASP A 82 2.528 3.470 2.547 1.00 0.49 H new ATOM 0 HB2 ASP A 82 2.181 2.113 5.249 1.00 0.59 H new ATOM 0 HB3 ASP A 82 3.635 2.948 4.737 1.00 0.59 H new ATOM 1171 N TRP A 83 3.793 1.468 1.781 1.00 0.47 N ATOM 1172 CA TRP A 83 4.544 0.324 1.296 1.00 0.48 C ATOM 1173 C TRP A 83 6.028 0.585 1.558 1.00 0.54 C ATOM 1174 O TRP A 83 6.439 1.733 1.728 1.00 0.51 O ATOM 1175 CB TRP A 83 4.236 0.050 -0.178 1.00 0.44 C ATOM 1176 CG TRP A 83 4.453 1.257 -1.093 1.00 0.43 C ATOM 1177 CD1 TRP A 83 3.525 2.010 -1.699 1.00 0.46 C ATOM 1178 CD2 TRP A 83 5.721 1.823 -1.483 1.00 0.43 C ATOM 1179 NE1 TRP A 83 4.100 3.016 -2.448 1.00 0.47 N ATOM 1180 CE2 TRP A 83 5.478 2.899 -2.313 1.00 0.45 C ATOM 1181 CE3 TRP A 83 7.031 1.439 -1.147 1.00 0.44 C ATOM 1182 CZ2 TRP A 83 6.495 3.679 -2.876 1.00 0.50 C ATOM 1183 CZ3 TRP A 83 8.037 2.228 -1.718 1.00 0.49 C ATOM 1184 CH2 TRP A 83 7.808 3.315 -2.555 1.00 0.52 C ATOM 0 H TRP A 83 3.998 2.346 1.303 1.00 0.47 H new ATOM 0 HA TRP A 83 4.251 -0.581 1.828 1.00 0.48 H new ATOM 0 HB2 TRP A 83 4.863 -0.772 -0.523 1.00 0.44 H new ATOM 0 HB3 TRP A 83 3.201 -0.279 -0.267 1.00 0.44 H new ATOM 0 HD1 TRP A 83 2.461 1.850 -1.612 1.00 0.46 H new ATOM 0 HE1 TRP A 83 3.605 3.717 -2.999 1.00 0.47 H new ATOM 0 HE3 TRP A 83 7.245 0.601 -0.499 1.00 0.44 H new ATOM 0 HZ2 TRP A 83 6.278 4.516 -3.523 1.00 0.50 H new ATOM 0 HZ3 TRP A 83 9.062 1.975 -1.493 1.00 0.49 H new ATOM 0 HH2 TRP A 83 8.640 3.876 -2.956 1.00 0.52 H new ATOM 1195 N ARG A 84 6.793 -0.496 1.582 1.00 0.67 N ATOM 1196 CA ARG A 84 8.222 -0.399 1.821 1.00 0.75 C ATOM 1197 C ARG A 84 8.970 -1.460 1.013 1.00 0.81 C ATOM 1198 O ARG A 84 8.474 -2.572 0.834 1.00 1.05 O ATOM 1199 CB ARG A 84 8.546 -0.574 3.306 1.00 0.85 C ATOM 1200 CG ARG A 84 8.260 0.711 4.085 1.00 0.84 C ATOM 1201 CD ARG A 84 8.615 0.544 5.565 1.00 1.60 C ATOM 1202 NE ARG A 84 8.069 1.677 6.346 1.00 1.59 N ATOM 1203 CZ ARG A 84 8.356 1.908 7.645 1.00 2.35 C ATOM 1204 NH1 ARG A 84 9.188 1.086 8.320 1.00 3.28 N ATOM 1205 NH2 ARG A 84 7.811 2.949 8.245 1.00 3.01 N ATOM 0 H ARG A 84 6.449 -1.446 1.439 1.00 0.67 H new ATOM 0 HA ARG A 84 8.543 0.594 1.506 1.00 0.75 H new ATOM 0 HB2 ARG A 84 7.954 -1.392 3.717 1.00 0.85 H new ATOM 0 HB3 ARG A 84 9.594 -0.849 3.423 1.00 0.85 H new ATOM 0 HG2 ARG A 84 8.834 1.534 3.660 1.00 0.84 H new ATOM 0 HG3 ARG A 84 7.207 0.973 3.987 1.00 0.84 H new ATOM 0 HD2 ARG A 84 8.211 -0.396 5.941 1.00 1.60 H new ATOM 0 HD3 ARG A 84 9.697 0.496 5.685 1.00 1.60 H new ATOM 0 HE ARG A 84 7.437 2.323 5.874 1.00 1.59 H new ATOM 0 HH11 ARG A 84 9.605 0.283 7.849 1.00 3.28 H new ATOM 0 HH12 ARG A 84 9.399 1.268 9.301 1.00 3.28 H new ATOM 0 HH21 ARG A 84 7.183 3.565 7.728 1.00 3.01 H new ATOM 0 HH22 ARG A 84 8.017 3.138 9.226 1.00 3.01 H new ATOM 1324 N ILE A 93 13.701 1.463 1.255 1.00 0.89 N ATOM 1325 CA ILE A 93 12.897 2.518 0.661 1.00 0.77 C ATOM 1326 C ILE A 93 11.491 2.482 1.265 1.00 0.74 C ATOM 1327 O ILE A 93 10.914 1.411 1.439 1.00 0.97 O ATOM 1328 CB ILE A 93 12.914 2.410 -0.865 1.00 0.82 C ATOM 1329 CG1 ILE A 93 12.488 3.729 -1.513 1.00 2.24 C ATOM 1330 CG2 ILE A 93 12.058 1.235 -1.341 1.00 2.09 C ATOM 1331 CD1 ILE A 93 12.777 3.720 -3.015 1.00 3.32 C ATOM 0 HA ILE A 93 13.319 3.496 0.892 1.00 0.77 H new ATOM 0 HB ILE A 93 13.938 2.212 -1.182 1.00 0.82 H new ATOM 0 HG12 ILE A 93 11.424 3.894 -1.345 1.00 2.24 H new ATOM 0 HG13 ILE A 93 13.017 4.557 -1.042 1.00 2.24 H new ATOM 0 HG21 ILE A 93 12.087 1.181 -2.429 1.00 2.09 H new ATOM 0 HG22 ILE A 93 12.447 0.308 -0.921 1.00 2.09 H new ATOM 0 HG23 ILE A 93 11.029 1.378 -1.012 1.00 2.09 H new ATOM 0 HD11 ILE A 93 12.465 4.669 -3.451 1.00 3.32 H new ATOM 0 HD12 ILE A 93 13.845 3.579 -3.179 1.00 3.32 H new ATOM 0 HD13 ILE A 93 12.227 2.906 -3.486 1.00 3.32 H new ATOM 1343 N THR A 94 10.982 3.667 1.567 1.00 0.66 N ATOM 1344 CA THR A 94 9.655 3.786 2.147 1.00 0.66 C ATOM 1345 C THR A 94 8.770 4.680 1.277 1.00 0.60 C ATOM 1346 O THR A 94 9.220 5.714 0.783 1.00 0.76 O ATOM 1347 CB THR A 94 9.809 4.295 3.582 1.00 0.82 C ATOM 1348 OG1 THR A 94 10.566 5.495 3.444 1.00 0.97 O ATOM 1349 CG2 THR A 94 10.701 3.387 4.432 1.00 0.96 C ATOM 0 H THR A 94 11.465 4.554 1.421 1.00 0.66 H new ATOM 0 HA THR A 94 9.152 2.820 2.182 1.00 0.66 H new ATOM 0 HB THR A 94 8.826 4.377 4.047 1.00 0.82 H new ATOM 0 HG1 THR A 94 10.711 5.894 4.327 1.00 0.97 H new ATOM 0 HG21 THR A 94 10.777 3.793 5.441 1.00 0.96 H new ATOM 0 HG22 THR A 94 10.267 2.388 4.475 1.00 0.96 H new ATOM 0 HG23 THR A 94 11.694 3.333 3.987 1.00 0.96 H new ATOM 1357 N GLY A 95 7.527 4.251 1.114 1.00 0.62 N ATOM 1358 CA GLY A 95 6.574 5.000 0.312 1.00 0.57 C ATOM 1359 C GLY A 95 5.137 4.674 0.721 1.00 0.59 C ATOM 1360 O GLY A 95 4.890 3.669 1.386 1.00 0.71 O ATOM 0 H GLY A 95 7.157 3.393 1.524 1.00 0.62 H new ATOM 0 HA2 GLY A 95 6.756 6.068 0.429 1.00 0.57 H new ATOM 0 HA3 GLY A 95 6.718 4.766 -0.743 1.00 0.57 H new ATOM 1364 N SER A 96 4.227 5.543 0.306 1.00 0.56 N ATOM 1365 CA SER A 96 2.820 5.360 0.621 1.00 0.64 C ATOM 1366 C SER A 96 1.954 5.892 -0.524 1.00 0.55 C ATOM 1367 O SER A 96 2.395 6.739 -1.298 1.00 0.58 O ATOM 1368 CB SER A 96 2.453 6.057 1.932 1.00 0.82 C ATOM 1369 OG SER A 96 3.545 6.077 2.849 1.00 1.19 O ATOM 0 H SER A 96 4.436 6.375 -0.245 1.00 0.56 H new ATOM 0 HA SER A 96 2.633 4.293 0.744 1.00 0.64 H new ATOM 0 HB2 SER A 96 2.136 7.079 1.723 1.00 0.82 H new ATOM 0 HB3 SER A 96 1.605 5.547 2.389 1.00 0.82 H new ATOM 0 HG SER A 96 3.272 6.532 3.673 1.00 1.19 H new ATOM 1375 N VAL A 97 0.737 5.372 -0.592 1.00 0.52 N ATOM 1376 CA VAL A 97 -0.194 5.785 -1.628 1.00 0.47 C ATOM 1377 C VAL A 97 -1.546 6.114 -0.992 1.00 0.48 C ATOM 1378 O VAL A 97 -2.245 5.221 -0.515 1.00 0.50 O ATOM 1379 CB VAL A 97 -0.289 4.704 -2.707 1.00 0.42 C ATOM 1380 CG1 VAL A 97 -1.102 5.196 -3.906 1.00 0.49 C ATOM 1381 CG2 VAL A 97 1.102 4.239 -3.142 1.00 0.49 C ATOM 0 H VAL A 97 0.375 4.669 0.053 1.00 0.52 H new ATOM 0 HA VAL A 97 0.162 6.689 -2.122 1.00 0.47 H new ATOM 0 HB VAL A 97 -0.809 3.848 -2.278 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -1.154 4.409 -4.658 1.00 0.49 H new ATOM 0 HG12 VAL A 97 -2.110 5.454 -3.581 1.00 0.49 H new ATOM 0 HG13 VAL A 97 -0.622 6.076 -4.335 1.00 0.49 H new ATOM 0 HG21 VAL A 97 1.005 3.471 -3.909 1.00 0.49 H new ATOM 0 HG22 VAL A 97 1.659 5.085 -3.544 1.00 0.49 H new ATOM 0 HG23 VAL A 97 1.634 3.829 -2.283 1.00 0.49 H new ATOM 1391 N THR A 98 -1.873 7.397 -1.004 1.00 0.50 N ATOM 1392 CA THR A 98 -3.129 7.855 -0.433 1.00 0.53 C ATOM 1393 C THR A 98 -4.239 7.817 -1.486 1.00 0.50 C ATOM 1394 O THR A 98 -4.005 8.138 -2.651 1.00 0.49 O ATOM 1395 CB THR A 98 -2.900 9.248 0.158 1.00 0.59 C ATOM 1396 OG1 THR A 98 -4.091 9.513 0.893 1.00 0.58 O ATOM 1397 CG2 THR A 98 -2.871 10.341 -0.913 1.00 0.68 C ATOM 0 H THR A 98 -1.290 8.135 -1.400 1.00 0.50 H new ATOM 0 HA THR A 98 -3.462 7.196 0.369 1.00 0.53 H new ATOM 0 HB THR A 98 -1.961 9.258 0.711 1.00 0.59 H new ATOM 0 HG1 THR A 98 -4.027 10.397 1.311 1.00 0.58 H new ATOM 0 HG21 THR A 98 -2.706 11.309 -0.440 1.00 0.68 H new ATOM 0 HG22 THR A 98 -2.064 10.139 -1.618 1.00 0.68 H new ATOM 0 HG23 THR A 98 -3.822 10.355 -1.445 1.00 0.68 H new ATOM 1405 N PHE A 99 -5.422 7.423 -1.039 1.00 0.50 N ATOM 1406 CA PHE A 99 -6.567 7.338 -1.928 1.00 0.49 C ATOM 1407 C PHE A 99 -7.872 7.573 -1.164 1.00 0.52 C ATOM 1408 O PHE A 99 -7.967 7.259 0.022 1.00 0.52 O ATOM 1409 CB PHE A 99 -6.579 5.924 -2.510 1.00 0.44 C ATOM 1410 CG PHE A 99 -6.984 4.842 -1.508 1.00 0.43 C ATOM 1411 CD1 PHE A 99 -8.292 4.674 -1.179 1.00 1.52 C ATOM 1412 CD2 PHE A 99 -6.034 4.046 -0.945 1.00 1.91 C ATOM 1413 CE1 PHE A 99 -8.668 3.669 -0.248 1.00 1.52 C ATOM 1414 CE2 PHE A 99 -6.409 3.042 -0.015 1.00 1.91 C ATOM 1415 CZ PHE A 99 -7.719 2.875 0.314 1.00 0.46 C ATOM 0 H PHE A 99 -5.612 7.159 -0.072 1.00 0.50 H new ATOM 0 HA PHE A 99 -6.490 8.097 -2.706 1.00 0.49 H new ATOM 0 HB2 PHE A 99 -7.266 5.896 -3.356 1.00 0.44 H new ATOM 0 HB3 PHE A 99 -5.587 5.693 -2.897 1.00 0.44 H new ATOM 0 HD1 PHE A 99 -9.046 5.305 -1.626 1.00 1.52 H new ATOM 0 HD2 PHE A 99 -4.995 4.179 -1.206 1.00 1.91 H new ATOM 0 HE1 PHE A 99 -9.708 3.536 0.013 1.00 1.52 H new ATOM 0 HE2 PHE A 99 -5.655 2.411 0.432 1.00 1.91 H new ATOM 0 HZ PHE A 99 -8.005 2.111 1.022 1.00 0.46 H new ATOM 1425 N LYS A 100 -8.846 8.123 -1.875 1.00 0.57 N ATOM 1426 CA LYS A 100 -10.141 8.405 -1.278 1.00 0.61 C ATOM 1427 C LYS A 100 -11.144 7.338 -1.723 1.00 0.60 C ATOM 1428 O LYS A 100 -10.878 6.582 -2.656 1.00 0.59 O ATOM 1429 CB LYS A 100 -10.580 9.834 -1.600 1.00 0.68 C ATOM 1430 CG LYS A 100 -9.780 10.851 -0.782 1.00 0.71 C ATOM 1431 CD LYS A 100 -8.283 10.732 -1.075 1.00 2.82 C ATOM 1432 CE LYS A 100 -7.607 12.105 -1.035 1.00 3.34 C ATOM 1433 NZ LYS A 100 -6.498 12.165 -2.013 1.00 5.31 N ATOM 0 H LYS A 100 -8.764 8.381 -2.859 1.00 0.57 H new ATOM 0 HA LYS A 100 -10.080 8.353 -0.191 1.00 0.61 H new ATOM 0 HB2 LYS A 100 -10.443 10.029 -2.664 1.00 0.68 H new ATOM 0 HB3 LYS A 100 -11.643 9.948 -1.389 1.00 0.68 H new ATOM 0 HG2 LYS A 100 -10.121 11.860 -1.015 1.00 0.71 H new ATOM 0 HG3 LYS A 100 -9.960 10.691 0.281 1.00 0.71 H new ATOM 0 HD2 LYS A 100 -7.817 10.071 -0.344 1.00 2.82 H new ATOM 0 HD3 LYS A 100 -8.135 10.278 -2.055 1.00 2.82 H new ATOM 0 HE2 LYS A 100 -8.337 12.883 -1.256 1.00 3.34 H new ATOM 0 HE3 LYS A 100 -7.227 12.301 -0.032 1.00 3.34 H new ATOM 0 HZ1 LYS A 100 -6.050 13.103 -1.973 1.00 5.31 H new ATOM 0 HZ2 LYS A 100 -5.794 11.435 -1.784 1.00 5.31 H new ATOM 0 HZ3 LYS A 100 -6.870 11.999 -2.970 1.00 5.31 H new ATOM 1447 N VAL A 101 -12.275 7.312 -1.034 1.00 0.61 N ATOM 1448 CA VAL A 101 -13.319 6.350 -1.346 1.00 0.62 C ATOM 1449 C VAL A 101 -14.687 6.997 -1.118 1.00 0.71 C ATOM 1450 O VAL A 101 -15.056 7.292 0.018 1.00 0.70 O ATOM 1451 CB VAL A 101 -13.117 5.074 -0.527 1.00 0.59 C ATOM 1452 CG1 VAL A 101 -14.260 4.084 -0.764 1.00 0.63 C ATOM 1453 CG2 VAL A 101 -11.763 4.432 -0.837 1.00 0.56 C ATOM 0 H VAL A 101 -12.492 7.941 -0.261 1.00 0.61 H new ATOM 0 HA VAL A 101 -13.268 6.058 -2.395 1.00 0.62 H new ATOM 0 HB VAL A 101 -13.124 5.348 0.528 1.00 0.59 H new ATOM 0 HG11 VAL A 101 -14.092 3.186 -0.170 1.00 0.63 H new ATOM 0 HG12 VAL A 101 -15.205 4.542 -0.470 1.00 0.63 H new ATOM 0 HG13 VAL A 101 -14.298 3.819 -1.821 1.00 0.63 H new ATOM 0 HG21 VAL A 101 -11.645 3.527 -0.242 1.00 0.56 H new ATOM 0 HG22 VAL A 101 -11.714 4.179 -1.896 1.00 0.56 H new ATOM 0 HG23 VAL A 101 -10.964 5.133 -0.595 1.00 0.56 H new ATOM 1463 N LYS A 102 -15.401 7.201 -2.215 1.00 0.84 N ATOM 1464 CA LYS A 102 -16.719 7.807 -2.149 1.00 0.94 C ATOM 1465 C LYS A 102 -17.784 6.719 -2.297 1.00 1.01 C ATOM 1466 O LYS A 102 -18.867 6.821 -1.721 1.00 1.40 O ATOM 1467 CB LYS A 102 -16.843 8.933 -3.177 1.00 0.98 C ATOM 1468 CG LYS A 102 -15.723 9.961 -3.003 1.00 0.98 C ATOM 1469 CD LYS A 102 -16.294 11.367 -2.806 1.00 1.23 C ATOM 1470 CE LYS A 102 -15.549 12.111 -1.698 1.00 1.99 C ATOM 1471 NZ LYS A 102 -16.421 12.288 -0.515 1.00 2.80 N ATOM 1472 OXT LYS A 102 -17.581 5.585 -1.868 1.00 1.21 O ATOM 0 H LYS A 102 -15.091 6.957 -3.156 1.00 0.84 H new ATOM 0 HA LYS A 102 -16.875 8.275 -1.177 1.00 0.94 H new ATOM 0 HB2 LYS A 102 -16.806 8.517 -4.184 1.00 0.98 H new ATOM 0 HB3 LYS A 102 -17.811 9.423 -3.070 1.00 0.98 H new ATOM 0 HG2 LYS A 102 -15.107 9.691 -2.145 1.00 0.98 H new ATOM 0 HG3 LYS A 102 -15.073 9.948 -3.878 1.00 0.98 H new ATOM 0 HD2 LYS A 102 -16.220 11.927 -3.738 1.00 1.23 H new ATOM 0 HD3 LYS A 102 -17.353 11.302 -2.556 1.00 1.23 H new ATOM 0 HE2 LYS A 102 -14.654 11.556 -1.417 1.00 1.99 H new ATOM 0 HE3 LYS A 102 -15.220 13.084 -2.063 1.00 1.99 H new ATOM 0 HZ1 LYS A 102 -15.899 12.795 0.228 1.00 2.80 H new ATOM 0 HZ2 LYS A 102 -17.263 12.837 -0.783 1.00 2.80 H new ATOM 0 HZ3 LYS A 102 -16.715 11.356 -0.158 1.00 2.80 H new