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 40 MET CE :methyl -120:sc= 0 (180deg=-0.0566) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.00366 USER MOD Set 1.3: A 79 TYR OH : rot 37:sc= 0.57 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0.463 K(o=1.1,f=-4.7) USER MOD Set 2.2: A 65 THR OG1 : rot -38:sc= 0.667 USER MOD Single : A 6 SER OG : rot 180:sc= -1.24 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 -34:sc= 0.336 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -62:sc= 0.129 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 -158:sc= -0.182 (180deg=-2.05) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.44 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.881 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=-0.00241 USER MOD Single : A 98 THR OG1 : rot 31:sc= 0.24 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 9.232 3.485 -5.331 1.00 0.86 N ATOM 57 CA LEU A 4 9.349 2.221 -6.037 1.00 0.59 C ATOM 58 C LEU A 4 9.263 2.475 -7.544 1.00 0.54 C ATOM 59 O LEU A 4 8.930 3.577 -7.974 1.00 0.56 O ATOM 60 CB LEU A 4 8.312 1.220 -5.522 1.00 0.77 C ATOM 61 CG LEU A 4 6.888 1.397 -6.054 1.00 0.47 C ATOM 62 CD1 LEU A 4 6.501 2.876 -6.104 1.00 0.69 C ATOM 63 CD2 LEU A 4 6.722 0.714 -7.413 1.00 0.57 C ATOM 0 HA LEU A 4 10.320 1.765 -5.844 1.00 0.59 H new ATOM 0 HB2 LEU A 4 8.650 0.215 -5.773 1.00 0.77 H new ATOM 0 HB3 LEU A 4 8.283 1.284 -4.434 1.00 0.77 H new ATOM 0 HG LEU A 4 6.202 0.909 -5.362 1.00 0.47 H new ATOM 0 HD11 LEU A 4 5.485 2.973 -6.486 1.00 0.69 H new ATOM 0 HD12 LEU A 4 6.554 3.300 -5.101 1.00 0.69 H new ATOM 0 HD13 LEU A 4 7.188 3.410 -6.761 1.00 0.69 H new ATOM 0 HD21 LEU A 4 5.701 0.855 -7.769 1.00 0.57 H new ATOM 0 HD22 LEU A 4 7.419 1.152 -8.128 1.00 0.57 H new ATOM 0 HD23 LEU A 4 6.927 -0.352 -7.312 1.00 0.57 H new ATOM 75 N VAL A 5 9.570 1.435 -8.305 1.00 0.52 N ATOM 76 CA VAL A 5 9.532 1.530 -9.754 1.00 0.51 C ATOM 77 C VAL A 5 8.130 1.950 -10.196 1.00 0.47 C ATOM 78 O VAL A 5 7.866 3.136 -10.393 1.00 0.57 O ATOM 79 CB VAL A 5 9.984 0.208 -10.378 1.00 0.54 C ATOM 80 CG1 VAL A 5 9.850 0.247 -11.902 1.00 0.63 C ATOM 81 CG2 VAL A 5 11.417 -0.132 -9.963 1.00 0.65 C ATOM 0 H VAL A 5 9.846 0.522 -7.945 1.00 0.52 H new ATOM 0 HA VAL A 5 10.226 2.293 -10.105 1.00 0.51 H new ATOM 0 HB VAL A 5 9.330 -0.580 -10.004 1.00 0.54 H new ATOM 0 HG11 VAL A 5 10.178 -0.705 -12.321 1.00 0.63 H new ATOM 0 HG12 VAL A 5 8.808 0.422 -12.171 1.00 0.63 H new ATOM 0 HG13 VAL A 5 10.468 1.051 -12.301 1.00 0.63 H new ATOM 0 HG21 VAL A 5 11.714 -1.076 -10.420 1.00 0.65 H new ATOM 0 HG22 VAL A 5 12.089 0.659 -10.295 1.00 0.65 H new ATOM 0 HG23 VAL A 5 11.470 -0.222 -8.878 1.00 0.65 H new ATOM 91 N SER A 6 7.266 0.956 -10.341 1.00 0.40 N ATOM 92 CA SER A 6 5.896 1.208 -10.756 1.00 0.37 C ATOM 93 C SER A 6 4.932 0.374 -9.912 1.00 0.33 C ATOM 94 O SER A 6 5.270 -0.729 -9.483 1.00 0.34 O ATOM 95 CB SER A 6 5.706 0.899 -12.242 1.00 0.40 C ATOM 96 OG SER A 6 6.899 1.118 -12.990 1.00 0.50 O ATOM 0 H SER A 6 7.488 -0.026 -10.178 1.00 0.40 H new ATOM 0 HA SER A 6 5.680 2.265 -10.602 1.00 0.37 H new ATOM 0 HB2 SER A 6 5.390 -0.138 -12.359 1.00 0.40 H new ATOM 0 HB3 SER A 6 4.907 1.523 -12.643 1.00 0.40 H new ATOM 0 HG SER A 6 6.737 0.908 -13.933 1.00 0.50 H new ATOM 102 N SER A 7 3.748 0.929 -9.700 1.00 0.31 N ATOM 103 CA SER A 7 2.731 0.250 -8.916 1.00 0.29 C ATOM 104 C SER A 7 1.345 0.785 -9.280 1.00 0.28 C ATOM 105 O SER A 7 1.227 1.828 -9.919 1.00 0.29 O ATOM 106 CB SER A 7 2.989 0.419 -7.417 1.00 0.29 C ATOM 107 OG SER A 7 3.048 1.791 -7.037 1.00 0.31 O ATOM 0 H SER A 7 3.470 1.843 -10.058 1.00 0.31 H new ATOM 0 HA SER A 7 2.774 -0.814 -9.148 1.00 0.29 H new ATOM 0 HB2 SER A 7 2.199 -0.079 -6.855 1.00 0.29 H new ATOM 0 HB3 SER A 7 3.926 -0.071 -7.153 1.00 0.29 H new ATOM 0 HG SER A 7 3.212 1.857 -6.073 1.00 0.31 H new ATOM 113 N THR A 8 0.330 0.044 -8.857 1.00 0.28 N ATOM 114 CA THR A 8 -1.043 0.431 -9.131 1.00 0.29 C ATOM 115 C THR A 8 -1.919 0.195 -7.899 1.00 0.28 C ATOM 116 O THR A 8 -2.897 -0.549 -7.960 1.00 0.30 O ATOM 117 CB THR A 8 -1.513 -0.339 -10.366 1.00 0.33 C ATOM 118 OG1 THR A 8 -1.017 0.427 -11.462 1.00 0.77 O ATOM 119 CG2 THR A 8 -3.033 -0.297 -10.540 1.00 0.70 C ATOM 0 H THR A 8 0.432 -0.822 -8.327 1.00 0.28 H new ATOM 0 HA THR A 8 -1.118 1.497 -9.346 1.00 0.29 H new ATOM 0 HB THR A 8 -1.185 -1.376 -10.294 1.00 0.33 H new ATOM 0 HG1 THR A 8 -1.275 -0.002 -12.304 1.00 0.77 H new ATOM 0 HG21 THR A 8 -3.313 -0.859 -11.431 1.00 0.70 H new ATOM 0 HG22 THR A 8 -3.512 -0.740 -9.667 1.00 0.70 H new ATOM 0 HG23 THR A 8 -3.359 0.738 -10.646 1.00 0.70 H new ATOM 127 N PRO A 9 -1.527 0.860 -6.779 1.00 0.27 N ATOM 128 CA PRO A 9 -2.265 0.730 -5.535 1.00 0.28 C ATOM 129 C PRO A 9 -3.574 1.521 -5.588 1.00 0.30 C ATOM 130 O PRO A 9 -4.649 0.941 -5.726 1.00 0.39 O ATOM 131 CB PRO A 9 -1.313 1.228 -4.459 1.00 0.28 C ATOM 132 CG PRO A 9 -0.258 2.048 -5.183 1.00 0.27 C ATOM 133 CD PRO A 9 -0.375 1.750 -6.669 1.00 0.26 C ATOM 0 HA PRO A 9 -2.572 -0.296 -5.333 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -1.840 1.833 -3.721 1.00 0.28 H new ATOM 0 HB3 PRO A 9 -0.860 0.395 -3.922 1.00 0.28 H new ATOM 0 HG2 PRO A 9 -0.405 3.111 -4.994 1.00 0.27 H new ATOM 0 HG3 PRO A 9 0.738 1.795 -4.820 1.00 0.27 H new ATOM 0 HD2 PRO A 9 -0.524 2.663 -7.245 1.00 0.26 H new ATOM 0 HD3 PRO A 9 0.529 1.276 -7.050 1.00 0.26 H new ATOM 141 N ALA A 10 -3.439 2.834 -5.477 1.00 0.36 N ATOM 142 CA ALA A 10 -4.596 3.712 -5.511 1.00 0.41 C ATOM 143 C ALA A 10 -4.131 5.168 -5.430 1.00 0.39 C ATOM 144 O ALA A 10 -4.690 5.961 -4.673 1.00 0.41 O ATOM 145 CB ALA A 10 -5.552 3.341 -4.374 1.00 0.44 C ATOM 0 H ALA A 10 -2.545 3.312 -5.363 1.00 0.36 H new ATOM 0 HA ALA A 10 -5.140 3.592 -6.448 1.00 0.41 H new ATOM 0 HB1 ALA A 10 -6.420 4.000 -4.399 1.00 0.44 H new ATOM 0 HB2 ALA A 10 -5.877 2.308 -4.494 1.00 0.44 H new ATOM 0 HB3 ALA A 10 -5.040 3.451 -3.418 1.00 0.44 H new ATOM 151 N GLU A 11 -3.112 5.474 -6.218 1.00 0.39 N ATOM 152 CA GLU A 11 -2.564 6.820 -6.246 1.00 0.43 C ATOM 153 C GLU A 11 -3.694 7.852 -6.289 1.00 0.46 C ATOM 154 O GLU A 11 -4.353 8.013 -7.315 1.00 0.51 O ATOM 155 CB GLU A 11 -1.612 7.002 -7.429 1.00 0.52 C ATOM 156 CG GLU A 11 -0.157 7.060 -6.957 1.00 0.56 C ATOM 157 CD GLU A 11 0.748 6.228 -7.869 1.00 1.19 C ATOM 158 OE1 GLU A 11 1.051 6.650 -8.994 1.00 1.80 O ATOM 159 OE2 GLU A 11 1.141 5.106 -7.369 1.00 2.38 O ATOM 0 H GLU A 11 -2.651 4.813 -6.843 1.00 0.39 H new ATOM 0 HA GLU A 11 -1.989 6.975 -5.333 1.00 0.43 H new ATOM 0 HB2 GLU A 11 -1.738 6.178 -8.132 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -1.862 7.918 -7.964 1.00 0.52 H new ATOM 0 HG2 GLU A 11 0.185 8.095 -6.946 1.00 0.56 H new ATOM 0 HG3 GLU A 11 -0.088 6.690 -5.934 1.00 0.56 H new ATOM 166 N GLY A 12 -3.885 8.522 -5.162 1.00 0.44 N ATOM 167 CA GLY A 12 -4.923 9.532 -5.058 1.00 0.47 C ATOM 168 C GLY A 12 -6.213 9.064 -5.734 1.00 0.56 C ATOM 169 O GLY A 12 -6.916 9.859 -6.357 1.00 0.72 O ATOM 0 H GLY A 12 -3.338 8.385 -4.312 1.00 0.44 H new ATOM 0 HA2 GLY A 12 -5.117 9.752 -4.008 1.00 0.47 H new ATOM 0 HA3 GLY A 12 -4.582 10.458 -5.520 1.00 0.47 H new ATOM 173 N SER A 13 -6.487 7.776 -5.589 1.00 0.53 N ATOM 174 CA SER A 13 -7.680 7.193 -6.179 1.00 0.63 C ATOM 175 C SER A 13 -8.923 7.676 -5.429 1.00 0.53 C ATOM 176 O SER A 13 -9.312 7.087 -4.423 1.00 0.53 O ATOM 177 CB SER A 13 -7.611 5.664 -6.164 1.00 0.86 C ATOM 178 OG SER A 13 -7.652 5.115 -7.477 1.00 1.24 O ATOM 0 H SER A 13 -5.903 7.119 -5.071 1.00 0.53 H new ATOM 0 HA SER A 13 -7.742 7.516 -7.218 1.00 0.63 H new ATOM 0 HB2 SER A 13 -6.694 5.347 -5.667 1.00 0.86 H new ATOM 0 HB3 SER A 13 -8.442 5.269 -5.580 1.00 0.86 H new ATOM 0 HG SER A 13 -7.604 4.138 -7.425 1.00 1.24 H new ATOM 184 N GLU A 14 -9.511 8.743 -5.949 1.00 0.57 N ATOM 185 CA GLU A 14 -10.702 9.311 -5.342 1.00 0.66 C ATOM 186 C GLU A 14 -11.935 8.989 -6.189 1.00 0.79 C ATOM 187 O GLU A 14 -12.007 9.367 -7.357 1.00 0.94 O ATOM 188 CB GLU A 14 -10.551 10.822 -5.148 1.00 0.87 C ATOM 189 CG GLU A 14 -9.225 11.156 -4.462 1.00 0.93 C ATOM 190 CD GLU A 14 -8.831 12.613 -4.710 1.00 1.24 C ATOM 191 OE1 GLU A 14 -9.095 13.151 -5.796 1.00 1.47 O ATOM 192 OE2 GLU A 14 -8.230 13.191 -3.726 1.00 2.25 O ATOM 0 H GLU A 14 -9.185 9.229 -6.784 1.00 0.57 H new ATOM 0 HA GLU A 14 -10.833 8.862 -4.358 1.00 0.66 H new ATOM 0 HB2 GLU A 14 -10.601 11.323 -6.115 1.00 0.87 H new ATOM 0 HB3 GLU A 14 -11.380 11.200 -4.549 1.00 0.87 H new ATOM 0 HG2 GLU A 14 -9.310 10.976 -3.390 1.00 0.93 H new ATOM 0 HG3 GLU A 14 -8.442 10.495 -4.835 1.00 0.93 H new ATOM 199 N GLY A 15 -12.875 8.293 -5.566 1.00 0.79 N ATOM 200 CA GLY A 15 -14.101 7.914 -6.247 1.00 1.01 C ATOM 201 C GLY A 15 -14.718 6.666 -5.612 1.00 0.72 C ATOM 202 O GLY A 15 -15.916 6.635 -5.335 1.00 0.62 O ATOM 0 H GLY A 15 -12.812 7.982 -4.597 1.00 0.79 H new ATOM 0 HA2 GLY A 15 -14.814 8.738 -6.206 1.00 1.01 H new ATOM 0 HA3 GLY A 15 -13.893 7.725 -7.300 1.00 1.01 H new ATOM 206 N ALA A 16 -13.872 5.669 -5.402 1.00 0.82 N ATOM 207 CA ALA A 16 -14.320 4.422 -4.806 1.00 0.80 C ATOM 208 C ALA A 16 -13.102 3.596 -4.386 1.00 1.14 C ATOM 209 O ALA A 16 -11.979 3.891 -4.792 1.00 1.80 O ATOM 210 CB ALA A 16 -15.217 3.676 -5.794 1.00 0.99 C ATOM 0 H ALA A 16 -12.879 5.699 -5.634 1.00 0.82 H new ATOM 0 HA ALA A 16 -14.912 4.616 -3.911 1.00 0.80 H new ATOM 0 HB1 ALA A 16 -15.553 2.741 -5.346 1.00 0.99 H new ATOM 0 HB2 ALA A 16 -16.082 4.293 -6.037 1.00 0.99 H new ATOM 0 HB3 ALA A 16 -14.657 3.462 -6.704 1.00 0.99 H new ATOM 216 N ALA A 17 -13.365 2.580 -3.578 1.00 0.84 N ATOM 217 CA ALA A 17 -12.305 1.709 -3.100 1.00 1.12 C ATOM 218 C ALA A 17 -11.813 0.831 -4.251 1.00 1.01 C ATOM 219 O ALA A 17 -12.614 0.298 -5.017 1.00 0.99 O ATOM 220 CB ALA A 17 -12.815 0.886 -1.915 1.00 1.38 C ATOM 0 H ALA A 17 -14.298 2.340 -3.242 1.00 0.84 H new ATOM 0 HA ALA A 17 -11.457 2.296 -2.748 1.00 1.12 H new ATOM 0 HB1 ALA A 17 -12.020 0.233 -1.557 1.00 1.38 H new ATOM 0 HB2 ALA A 17 -13.123 1.556 -1.113 1.00 1.38 H new ATOM 0 HB3 ALA A 17 -13.666 0.282 -2.231 1.00 1.38 H new ATOM 226 N PRO A 18 -10.462 0.704 -4.340 1.00 1.03 N ATOM 227 CA PRO A 18 -9.852 -0.100 -5.386 1.00 1.01 C ATOM 228 C PRO A 18 -10.008 -1.593 -5.090 1.00 0.89 C ATOM 229 O PRO A 18 -10.027 -2.001 -3.930 1.00 1.27 O ATOM 230 CB PRO A 18 -8.401 0.348 -5.432 1.00 1.15 C ATOM 231 CG PRO A 18 -8.138 1.047 -4.108 1.00 1.22 C ATOM 232 CD PRO A 18 -9.481 1.321 -3.451 1.00 1.16 C ATOM 0 HA PRO A 18 -10.328 0.040 -6.356 1.00 1.01 H new ATOM 0 HB2 PRO A 18 -7.733 -0.504 -5.563 1.00 1.15 H new ATOM 0 HB3 PRO A 18 -8.227 1.022 -6.271 1.00 1.15 H new ATOM 0 HG2 PRO A 18 -7.518 0.424 -3.464 1.00 1.22 H new ATOM 0 HG3 PRO A 18 -7.595 1.978 -4.269 1.00 1.22 H new ATOM 0 HD2 PRO A 18 -9.527 0.891 -2.451 1.00 1.16 H new ATOM 0 HD3 PRO A 18 -9.660 2.391 -3.346 1.00 1.16 H new ATOM 240 N ALA A 19 -10.116 -2.367 -6.159 1.00 0.73 N ATOM 241 CA ALA A 19 -10.270 -3.807 -6.029 1.00 0.74 C ATOM 242 C ALA A 19 -9.081 -4.374 -5.250 1.00 0.62 C ATOM 243 O ALA A 19 -9.261 -5.019 -4.218 1.00 0.61 O ATOM 244 CB ALA A 19 -10.410 -4.434 -7.417 1.00 0.92 C ATOM 0 H ALA A 19 -10.100 -2.025 -7.120 1.00 0.73 H new ATOM 0 HA ALA A 19 -11.175 -4.047 -5.471 1.00 0.74 H new ATOM 0 HB1 ALA A 19 -10.525 -5.513 -7.319 1.00 0.92 H new ATOM 0 HB2 ALA A 19 -11.285 -4.020 -7.917 1.00 0.92 H new ATOM 0 HB3 ALA A 19 -9.519 -4.217 -8.006 1.00 0.92 H new ATOM 250 N LYS A 20 -7.893 -4.112 -5.774 1.00 0.57 N ATOM 251 CA LYS A 20 -6.674 -4.588 -5.141 1.00 0.50 C ATOM 252 C LYS A 20 -5.510 -3.678 -5.535 1.00 0.44 C ATOM 253 O LYS A 20 -5.502 -3.111 -6.627 1.00 0.52 O ATOM 254 CB LYS A 20 -6.440 -6.063 -5.472 1.00 0.60 C ATOM 255 CG LYS A 20 -6.261 -6.267 -6.978 1.00 0.70 C ATOM 256 CD LYS A 20 -7.590 -6.631 -7.644 1.00 1.96 C ATOM 257 CE LYS A 20 -7.405 -6.864 -9.144 1.00 2.20 C ATOM 258 NZ LYS A 20 -8.323 -6.000 -9.920 1.00 3.79 N ATOM 0 H LYS A 20 -7.748 -3.576 -6.630 1.00 0.57 H new ATOM 0 HA LYS A 20 -6.764 -4.538 -4.056 1.00 0.50 H new ATOM 0 HB2 LYS A 20 -5.555 -6.421 -4.946 1.00 0.60 H new ATOM 0 HB3 LYS A 20 -7.283 -6.657 -5.119 1.00 0.60 H new ATOM 0 HG2 LYS A 20 -5.862 -5.357 -7.427 1.00 0.70 H new ATOM 0 HG3 LYS A 20 -5.532 -7.057 -7.157 1.00 0.70 H new ATOM 0 HD2 LYS A 20 -7.999 -7.529 -7.181 1.00 1.96 H new ATOM 0 HD3 LYS A 20 -8.313 -5.831 -7.483 1.00 1.96 H new ATOM 0 HE2 LYS A 20 -6.373 -6.654 -9.426 1.00 2.20 H new ATOM 0 HE3 LYS A 20 -7.594 -7.911 -9.381 1.00 2.20 H new ATOM 0 HZ1 LYS A 20 -8.184 -6.171 -10.936 1.00 3.79 H new ATOM 0 HZ2 LYS A 20 -9.307 -6.219 -9.663 1.00 3.79 H new ATOM 0 HZ3 LYS A 20 -8.124 -5.002 -9.706 1.00 3.79 H new ATOM 272 N ILE A 21 -4.555 -3.564 -4.624 1.00 0.36 N ATOM 273 CA ILE A 21 -3.388 -2.732 -4.863 1.00 0.33 C ATOM 274 C ILE A 21 -2.331 -3.545 -5.613 1.00 0.32 C ATOM 275 O ILE A 21 -2.123 -4.720 -5.318 1.00 0.31 O ATOM 276 CB ILE A 21 -2.883 -2.127 -3.551 1.00 0.32 C ATOM 277 CG1 ILE A 21 -3.631 -0.835 -3.219 1.00 0.34 C ATOM 278 CG2 ILE A 21 -1.368 -1.919 -3.592 1.00 0.32 C ATOM 279 CD1 ILE A 21 -4.404 -0.972 -1.905 1.00 0.40 C ATOM 0 H ILE A 21 -4.565 -4.034 -3.719 1.00 0.36 H new ATOM 0 HA ILE A 21 -3.648 -1.885 -5.498 1.00 0.33 H new ATOM 0 HB ILE A 21 -3.090 -2.833 -2.747 1.00 0.32 H new ATOM 0 HG12 ILE A 21 -2.923 -0.009 -3.144 1.00 0.34 H new ATOM 0 HG13 ILE A 21 -4.321 -0.592 -4.027 1.00 0.34 H new ATOM 0 HG21 ILE A 21 -1.034 -1.488 -2.648 1.00 0.32 H new ATOM 0 HG22 ILE A 21 -0.873 -2.878 -3.748 1.00 0.32 H new ATOM 0 HG23 ILE A 21 -1.116 -1.243 -4.409 1.00 0.32 H new ATOM 0 HD11 ILE A 21 -4.927 -0.040 -1.692 1.00 0.40 H new ATOM 0 HD12 ILE A 21 -5.128 -1.783 -1.991 1.00 0.40 H new ATOM 0 HD13 ILE A 21 -3.709 -1.191 -1.095 1.00 0.40 H new ATOM 291 N GLU A 22 -1.691 -2.887 -6.568 1.00 0.34 N ATOM 292 CA GLU A 22 -0.661 -3.533 -7.363 1.00 0.34 C ATOM 293 C GLU A 22 0.690 -2.852 -7.136 1.00 0.32 C ATOM 294 O GLU A 22 0.745 -1.659 -6.841 1.00 0.30 O ATOM 295 CB GLU A 22 -1.033 -3.536 -8.847 1.00 0.36 C ATOM 296 CG GLU A 22 -1.012 -4.955 -9.416 1.00 0.42 C ATOM 297 CD GLU A 22 -0.306 -4.993 -10.773 1.00 0.96 C ATOM 298 OE1 GLU A 22 0.498 -4.099 -11.078 1.00 1.85 O ATOM 299 OE2 GLU A 22 -0.618 -5.994 -11.522 1.00 1.50 O ATOM 0 H GLU A 22 -1.866 -1.912 -6.809 1.00 0.34 H new ATOM 0 HA GLU A 22 -0.580 -4.572 -7.042 1.00 0.34 H new ATOM 0 HB2 GLU A 22 -2.025 -3.103 -8.978 1.00 0.36 H new ATOM 0 HB3 GLU A 22 -0.336 -2.908 -9.401 1.00 0.36 H new ATOM 0 HG2 GLU A 22 -0.504 -5.622 -8.719 1.00 0.42 H new ATOM 0 HG3 GLU A 22 -2.033 -5.323 -9.523 1.00 0.42 H new ATOM 306 N LEU A 23 1.746 -3.640 -7.284 1.00 0.34 N ATOM 307 CA LEU A 23 3.093 -3.127 -7.100 1.00 0.35 C ATOM 308 C LEU A 23 4.049 -3.872 -8.033 1.00 0.37 C ATOM 309 O LEU A 23 3.864 -5.059 -8.297 1.00 0.40 O ATOM 310 CB LEU A 23 3.495 -3.194 -5.625 1.00 0.39 C ATOM 311 CG LEU A 23 2.537 -2.523 -4.638 1.00 0.37 C ATOM 312 CD1 LEU A 23 2.689 -3.116 -3.236 1.00 0.43 C ATOM 313 CD2 LEU A 23 2.723 -1.004 -4.641 1.00 0.35 C ATOM 0 H LEU A 23 1.696 -4.629 -7.529 1.00 0.34 H new ATOM 0 HA LEU A 23 3.140 -2.072 -7.371 1.00 0.35 H new ATOM 0 HB2 LEU A 23 3.599 -4.242 -5.344 1.00 0.39 H new ATOM 0 HB3 LEU A 23 4.478 -2.736 -5.515 1.00 0.39 H new ATOM 0 HG LEU A 23 1.516 -2.724 -4.963 1.00 0.37 H new ATOM 0 HD11 LEU A 23 1.997 -2.621 -2.555 1.00 0.43 H new ATOM 0 HD12 LEU A 23 2.468 -4.183 -3.266 1.00 0.43 H new ATOM 0 HD13 LEU A 23 3.711 -2.967 -2.887 1.00 0.43 H new ATOM 0 HD21 LEU A 23 2.031 -0.551 -3.931 1.00 0.35 H new ATOM 0 HD22 LEU A 23 3.746 -0.762 -4.354 1.00 0.35 H new ATOM 0 HD23 LEU A 23 2.525 -0.615 -5.640 1.00 0.35 H new ATOM 325 N HIS A 24 5.051 -3.145 -8.504 1.00 0.38 N ATOM 326 CA HIS A 24 6.038 -3.723 -9.401 1.00 0.42 C ATOM 327 C HIS A 24 7.438 -3.265 -8.988 1.00 0.43 C ATOM 328 O HIS A 24 7.586 -2.268 -8.284 1.00 0.43 O ATOM 329 CB HIS A 24 5.710 -3.387 -10.858 1.00 0.43 C ATOM 330 CG HIS A 24 4.645 -4.266 -11.467 1.00 0.47 C ATOM 331 ND1 HIS A 24 4.747 -5.645 -11.511 1.00 0.64 N ATOM 332 CD2 HIS A 24 3.455 -3.948 -12.053 1.00 0.83 C ATOM 333 CE1 HIS A 24 3.662 -6.126 -12.102 1.00 0.56 C ATOM 334 NE2 HIS A 24 2.863 -5.073 -12.438 1.00 0.68 N ATOM 0 H HIS A 24 5.201 -2.161 -8.282 1.00 0.38 H new ATOM 0 HA HIS A 24 6.012 -4.810 -9.324 1.00 0.42 H new ATOM 0 HB2 HIS A 24 5.386 -2.348 -10.916 1.00 0.43 H new ATOM 0 HB3 HIS A 24 6.620 -3.471 -11.453 1.00 0.43 H new ATOM 0 HD2 HIS A 24 3.061 -2.951 -12.182 1.00 0.83 H new ATOM 0 HE1 HIS A 24 3.448 -7.169 -12.285 1.00 0.56 H new ATOM 0 HE2 HIS A 24 1.960 -5.139 -12.907 1.00 0.68 H new ATOM 342 N PHE A 25 8.429 -4.017 -9.442 1.00 0.54 N ATOM 343 CA PHE A 25 9.813 -3.702 -9.129 1.00 0.57 C ATOM 344 C PHE A 25 10.757 -4.254 -10.199 1.00 0.69 C ATOM 345 O PHE A 25 10.835 -5.466 -10.397 1.00 0.95 O ATOM 346 CB PHE A 25 10.131 -4.371 -7.790 1.00 0.66 C ATOM 347 CG PHE A 25 9.551 -3.641 -6.577 1.00 0.68 C ATOM 348 CD1 PHE A 25 10.106 -2.474 -6.156 1.00 1.79 C ATOM 349 CD2 PHE A 25 8.480 -4.160 -5.919 1.00 1.89 C ATOM 350 CE1 PHE A 25 9.567 -1.797 -5.029 1.00 1.80 C ATOM 351 CE2 PHE A 25 7.940 -3.484 -4.793 1.00 2.08 C ATOM 352 CZ PHE A 25 8.496 -2.316 -4.372 1.00 1.13 C ATOM 0 H PHE A 25 8.302 -4.844 -10.025 1.00 0.54 H new ATOM 0 HA PHE A 25 9.949 -2.621 -9.087 1.00 0.57 H new ATOM 0 HB2 PHE A 25 9.747 -5.391 -7.805 1.00 0.66 H new ATOM 0 HB3 PHE A 25 11.213 -4.439 -7.677 1.00 0.66 H new ATOM 0 HD1 PHE A 25 10.957 -2.061 -6.678 1.00 1.79 H new ATOM 0 HD2 PHE A 25 8.039 -5.088 -6.253 1.00 1.89 H new ATOM 0 HE1 PHE A 25 10.008 -0.870 -4.694 1.00 1.80 H new ATOM 0 HE2 PHE A 25 7.089 -3.897 -4.272 1.00 2.08 H new ATOM 0 HZ PHE A 25 8.086 -1.801 -3.516 1.00 1.13 H new ATOM 362 N SER A 26 11.452 -3.339 -10.858 1.00 0.69 N ATOM 363 CA SER A 26 12.388 -3.719 -11.903 1.00 0.84 C ATOM 364 C SER A 26 13.602 -4.418 -11.288 1.00 0.84 C ATOM 365 O SER A 26 14.453 -4.938 -12.007 1.00 1.00 O ATOM 366 CB SER A 26 12.831 -2.501 -12.715 1.00 1.07 C ATOM 367 OG SER A 26 13.690 -2.863 -13.794 1.00 1.92 O ATOM 0 H SER A 26 11.386 -2.335 -10.689 1.00 0.69 H new ATOM 0 HA SER A 26 11.884 -4.409 -12.580 1.00 0.84 H new ATOM 0 HB2 SER A 26 11.953 -1.988 -13.107 1.00 1.07 H new ATOM 0 HB3 SER A 26 13.346 -1.797 -12.061 1.00 1.07 H new ATOM 0 HG SER A 26 14.245 -3.626 -13.529 1.00 1.92 H new ATOM 499 N GLY A 35 7.052 -4.614 2.819 1.00 0.57 N ATOM 500 CA GLY A 35 5.675 -5.025 3.038 1.00 0.67 C ATOM 501 C GLY A 35 4.707 -3.874 2.754 1.00 0.74 C ATOM 502 O GLY A 35 5.021 -2.971 1.980 1.00 1.16 O ATOM 0 HA2 GLY A 35 5.438 -5.872 2.394 1.00 0.67 H new ATOM 0 HA3 GLY A 35 5.552 -5.363 4.067 1.00 0.67 H new ATOM 506 N ALA A 36 3.551 -3.943 3.396 1.00 0.54 N ATOM 507 CA ALA A 36 2.536 -2.919 3.224 1.00 0.61 C ATOM 508 C ALA A 36 1.635 -2.886 4.459 1.00 0.53 C ATOM 509 O ALA A 36 1.548 -3.868 5.195 1.00 0.61 O ATOM 510 CB ALA A 36 1.752 -3.190 1.938 1.00 0.93 C ATOM 0 H ALA A 36 3.294 -4.694 4.037 1.00 0.54 H new ATOM 0 HA ALA A 36 2.996 -1.936 3.126 1.00 0.61 H new ATOM 0 HB1 ALA A 36 0.990 -2.422 1.808 1.00 0.93 H new ATOM 0 HB2 ALA A 36 2.433 -3.174 1.087 1.00 0.93 H new ATOM 0 HB3 ALA A 36 1.275 -4.168 2.002 1.00 0.93 H new ATOM 516 N LYS A 37 0.987 -1.746 4.650 1.00 0.47 N ATOM 517 CA LYS A 37 0.095 -1.571 5.783 1.00 0.54 C ATOM 518 C LYS A 37 -0.983 -0.547 5.426 1.00 0.51 C ATOM 519 O LYS A 37 -0.683 0.628 5.217 1.00 0.51 O ATOM 520 CB LYS A 37 0.891 -1.214 7.040 1.00 0.64 C ATOM 521 CG LYS A 37 1.336 -2.475 7.784 1.00 0.97 C ATOM 522 CD LYS A 37 1.259 -2.274 9.298 1.00 1.38 C ATOM 523 CE LYS A 37 2.652 -2.072 9.897 1.00 2.75 C ATOM 524 NZ LYS A 37 2.785 -0.705 10.450 1.00 4.08 N ATOM 0 H LYS A 37 1.062 -0.934 4.038 1.00 0.47 H new ATOM 0 HA LYS A 37 -0.418 -2.505 6.012 1.00 0.54 H new ATOM 0 HB2 LYS A 37 1.764 -0.622 6.766 1.00 0.64 H new ATOM 0 HB3 LYS A 37 0.280 -0.596 7.698 1.00 0.64 H new ATOM 0 HG2 LYS A 37 0.706 -3.315 7.493 1.00 0.97 H new ATOM 0 HG3 LYS A 37 2.357 -2.729 7.499 1.00 0.97 H new ATOM 0 HD2 LYS A 37 0.634 -1.409 9.522 1.00 1.38 H new ATOM 0 HD3 LYS A 37 0.783 -3.139 9.759 1.00 1.38 H new ATOM 0 HE2 LYS A 37 2.827 -2.807 10.683 1.00 2.75 H new ATOM 0 HE3 LYS A 37 3.411 -2.237 9.132 1.00 2.75 H new ATOM 0 HZ1 LYS A 37 3.736 -0.584 10.853 1.00 4.08 H new ATOM 0 HZ2 LYS A 37 2.639 -0.008 9.692 1.00 4.08 H new ATOM 0 HZ3 LYS A 37 2.073 -0.561 11.194 1.00 4.08 H new ATOM 538 N LEU A 38 -2.216 -1.029 5.366 1.00 0.54 N ATOM 539 CA LEU A 38 -3.340 -0.170 5.038 1.00 0.57 C ATOM 540 C LEU A 38 -3.873 0.478 6.319 1.00 0.54 C ATOM 541 O LEU A 38 -4.091 -0.205 7.319 1.00 0.61 O ATOM 542 CB LEU A 38 -4.400 -0.948 4.256 1.00 0.73 C ATOM 543 CG LEU A 38 -5.701 -0.200 3.961 1.00 0.71 C ATOM 544 CD1 LEU A 38 -5.420 1.139 3.276 1.00 0.73 C ATOM 545 CD2 LEU A 38 -6.662 -1.069 3.148 1.00 1.02 C ATOM 0 H LEU A 38 -2.461 -2.004 5.539 1.00 0.54 H new ATOM 0 HA LEU A 38 -3.021 0.638 4.380 1.00 0.57 H new ATOM 0 HB2 LEU A 38 -3.964 -1.265 3.309 1.00 0.73 H new ATOM 0 HB3 LEU A 38 -4.643 -1.853 4.814 1.00 0.73 H new ATOM 0 HG LEU A 38 -6.191 0.020 4.910 1.00 0.71 H new ATOM 0 HD11 LEU A 38 -6.362 1.651 3.077 1.00 0.73 H new ATOM 0 HD12 LEU A 38 -4.801 1.757 3.926 1.00 0.73 H new ATOM 0 HD13 LEU A 38 -4.897 0.964 2.336 1.00 0.73 H new ATOM 0 HD21 LEU A 38 -7.579 -0.513 2.952 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -6.194 -1.342 2.202 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -6.899 -1.973 3.709 1.00 1.02 H new ATOM 557 N VAL A 39 -4.068 1.786 6.246 1.00 0.49 N ATOM 558 CA VAL A 39 -4.572 2.532 7.386 1.00 0.49 C ATOM 559 C VAL A 39 -5.680 3.478 6.922 1.00 0.46 C ATOM 560 O VAL A 39 -5.524 4.183 5.926 1.00 0.47 O ATOM 561 CB VAL A 39 -3.420 3.258 8.087 1.00 0.53 C ATOM 562 CG1 VAL A 39 -2.274 2.293 8.397 1.00 0.57 C ATOM 563 CG2 VAL A 39 -2.931 4.441 7.250 1.00 0.56 C ATOM 0 H VAL A 39 -3.886 2.349 5.415 1.00 0.49 H new ATOM 0 HA VAL A 39 -5.009 1.856 8.121 1.00 0.49 H new ATOM 0 HB VAL A 39 -3.793 3.649 9.034 1.00 0.53 H new ATOM 0 HG11 VAL A 39 -1.468 2.833 8.895 1.00 0.57 H new ATOM 0 HG12 VAL A 39 -2.635 1.497 9.049 1.00 0.57 H new ATOM 0 HG13 VAL A 39 -1.901 1.860 7.469 1.00 0.57 H new ATOM 0 HG21 VAL A 39 -2.113 4.940 7.769 1.00 0.56 H new ATOM 0 HG22 VAL A 39 -2.581 4.082 6.282 1.00 0.56 H new ATOM 0 HG23 VAL A 39 -3.750 5.145 7.102 1.00 0.56 H new ATOM 573 N MET A 40 -6.776 3.465 7.666 1.00 0.47 N ATOM 574 CA MET A 40 -7.910 4.314 7.344 1.00 0.47 C ATOM 575 C MET A 40 -7.813 5.659 8.067 1.00 0.51 C ATOM 576 O MET A 40 -8.200 5.772 9.230 1.00 0.55 O ATOM 577 CB MET A 40 -9.207 3.609 7.748 1.00 0.48 C ATOM 578 CG MET A 40 -10.415 4.528 7.556 1.00 0.52 C ATOM 579 SD MET A 40 -11.851 3.823 8.345 1.00 1.30 S ATOM 580 CE MET A 40 -13.140 4.755 7.533 1.00 2.09 C ATOM 0 H MET A 40 -6.903 2.879 8.491 1.00 0.47 H new ATOM 0 HA MET A 40 -7.906 4.500 6.270 1.00 0.47 H new ATOM 0 HB2 MET A 40 -9.335 2.706 7.152 1.00 0.48 H new ATOM 0 HB3 MET A 40 -9.146 3.297 8.790 1.00 0.48 H new ATOM 0 HG2 MET A 40 -10.205 5.511 7.977 1.00 0.52 H new ATOM 0 HG3 MET A 40 -10.608 4.671 6.493 1.00 0.52 H new ATOM 0 HE1 MET A 40 -13.711 5.311 8.277 1.00 2.09 H new ATOM 0 HE2 MET A 40 -12.693 5.452 6.824 1.00 2.09 H new ATOM 0 HE3 MET A 40 -13.803 4.072 7.002 1.00 2.09 H new ATOM 590 N THR A 41 -7.294 6.644 7.349 1.00 0.51 N ATOM 591 CA THR A 41 -7.141 7.976 7.907 1.00 0.57 C ATOM 592 C THR A 41 -8.178 8.929 7.309 1.00 0.62 C ATOM 593 O THR A 41 -7.823 9.926 6.684 1.00 0.70 O ATOM 594 CB THR A 41 -5.697 8.425 7.672 1.00 0.65 C ATOM 595 OG1 THR A 41 -5.599 9.662 8.371 1.00 0.75 O ATOM 596 CG2 THR A 41 -5.432 8.799 6.212 1.00 0.77 C ATOM 0 H THR A 41 -6.974 6.546 6.385 1.00 0.51 H new ATOM 0 HA THR A 41 -7.327 7.977 8.981 1.00 0.57 H new ATOM 0 HB THR A 41 -5.016 7.629 7.973 1.00 0.65 H new ATOM 0 HG1 THR A 41 -6.224 10.308 7.981 1.00 0.75 H new ATOM 0 HG21 THR A 41 -4.394 9.110 6.099 1.00 0.77 H new ATOM 0 HG22 THR A 41 -5.623 7.936 5.575 1.00 0.77 H new ATOM 0 HG23 THR A 41 -6.090 9.618 5.921 1.00 0.77 H new ATOM 604 N ALA A 42 -9.440 8.586 7.522 1.00 0.63 N ATOM 605 CA ALA A 42 -10.532 9.398 7.011 1.00 0.72 C ATOM 606 C ALA A 42 -10.259 10.870 7.328 1.00 0.83 C ATOM 607 O ALA A 42 -9.320 11.188 8.055 1.00 2.02 O ATOM 608 CB ALA A 42 -11.854 8.909 7.604 1.00 0.98 C ATOM 0 H ALA A 42 -9.731 7.757 8.041 1.00 0.63 H new ATOM 0 HA ALA A 42 -10.607 9.302 5.928 1.00 0.72 H new ATOM 0 HB1 ALA A 42 -12.672 9.518 7.220 1.00 0.98 H new ATOM 0 HB2 ALA A 42 -12.015 7.868 7.325 1.00 0.98 H new ATOM 0 HB3 ALA A 42 -11.818 8.992 8.690 1.00 0.98 H new ATOM 726 N MET A 51 -6.142 4.664 11.960 1.00 0.88 N ATOM 727 CA MET A 51 -6.202 3.307 12.477 1.00 0.93 C ATOM 728 C MET A 51 -5.795 2.293 11.405 1.00 0.84 C ATOM 729 O MET A 51 -6.152 2.443 10.236 1.00 0.93 O ATOM 730 CB MET A 51 -7.624 3.003 12.953 1.00 1.18 C ATOM 731 CG MET A 51 -7.796 3.363 14.431 1.00 1.59 C ATOM 732 SD MET A 51 -8.535 1.997 15.310 1.00 2.63 S ATOM 733 CE MET A 51 -9.443 2.890 16.562 1.00 2.73 C ATOM 0 HA MET A 51 -5.505 3.226 13.311 1.00 0.93 H new ATOM 0 HB2 MET A 51 -8.340 3.564 12.353 1.00 1.18 H new ATOM 0 HB3 MET A 51 -7.843 1.946 12.805 1.00 1.18 H new ATOM 0 HG2 MET A 51 -6.828 3.607 14.869 1.00 1.59 H new ATOM 0 HG3 MET A 51 -8.423 4.250 14.527 1.00 1.59 H new ATOM 0 HE1 MET A 51 -9.968 2.183 17.204 1.00 2.73 H new ATOM 0 HE2 MET A 51 -8.751 3.480 17.162 1.00 2.73 H new ATOM 0 HE3 MET A 51 -10.165 3.552 16.085 1.00 2.73 H new ATOM 743 N ALA A 52 -5.055 1.285 11.839 1.00 0.80 N ATOM 744 CA ALA A 52 -4.597 0.247 10.932 1.00 0.73 C ATOM 745 C ALA A 52 -5.733 -0.746 10.683 1.00 0.79 C ATOM 746 O ALA A 52 -6.507 -1.050 11.590 1.00 0.94 O ATOM 747 CB ALA A 52 -3.351 -0.425 11.512 1.00 0.78 C ATOM 0 H ALA A 52 -4.761 1.164 12.808 1.00 0.80 H new ATOM 0 HA ALA A 52 -4.318 0.675 9.969 1.00 0.73 H new ATOM 0 HB1 ALA A 52 -3.007 -1.204 10.831 1.00 0.78 H new ATOM 0 HB2 ALA A 52 -2.564 0.318 11.641 1.00 0.78 H new ATOM 0 HB3 ALA A 52 -3.593 -0.868 12.478 1.00 0.78 H new ATOM 753 N VAL A 53 -5.800 -1.224 9.448 1.00 0.72 N ATOM 754 CA VAL A 53 -6.829 -2.177 9.069 1.00 0.81 C ATOM 755 C VAL A 53 -6.177 -3.522 8.743 1.00 0.72 C ATOM 756 O VAL A 53 -4.966 -3.598 8.546 1.00 0.85 O ATOM 757 CB VAL A 53 -7.658 -1.617 7.911 1.00 0.92 C ATOM 758 CG1 VAL A 53 -6.868 -1.658 6.601 1.00 0.84 C ATOM 759 CG2 VAL A 53 -8.985 -2.367 7.774 1.00 1.10 C ATOM 0 H VAL A 53 -5.158 -0.969 8.698 1.00 0.72 H new ATOM 0 HA VAL A 53 -7.520 -2.343 9.895 1.00 0.81 H new ATOM 0 HB VAL A 53 -7.883 -0.574 8.134 1.00 0.92 H new ATOM 0 HG11 VAL A 53 -7.480 -1.254 5.794 1.00 0.84 H new ATOM 0 HG12 VAL A 53 -5.962 -1.060 6.703 1.00 0.84 H new ATOM 0 HG13 VAL A 53 -6.598 -2.689 6.371 1.00 0.84 H new ATOM 0 HG21 VAL A 53 -9.555 -1.949 6.944 1.00 1.10 H new ATOM 0 HG22 VAL A 53 -8.789 -3.422 7.585 1.00 1.10 H new ATOM 0 HG23 VAL A 53 -9.558 -2.264 8.696 1.00 1.10 H new ATOM 769 N LYS A 54 -7.011 -4.550 8.697 1.00 0.66 N ATOM 770 CA LYS A 54 -6.532 -5.890 8.397 1.00 0.69 C ATOM 771 C LYS A 54 -6.476 -6.080 6.881 1.00 0.59 C ATOM 772 O LYS A 54 -7.448 -5.800 6.180 1.00 0.88 O ATOM 773 CB LYS A 54 -7.383 -6.937 9.118 1.00 0.88 C ATOM 774 CG LYS A 54 -7.034 -7.000 10.606 1.00 2.12 C ATOM 775 CD LYS A 54 -8.296 -7.113 11.461 1.00 2.22 C ATOM 776 CE LYS A 54 -7.988 -7.771 12.809 1.00 3.42 C ATOM 777 NZ LYS A 54 -9.138 -8.584 13.263 1.00 3.36 N ATOM 0 H LYS A 54 -8.015 -4.483 8.862 1.00 0.66 H new ATOM 0 HA LYS A 54 -5.518 -6.025 8.772 1.00 0.69 H new ATOM 0 HB2 LYS A 54 -8.439 -6.696 8.999 1.00 0.88 H new ATOM 0 HB3 LYS A 54 -7.225 -7.915 8.663 1.00 0.88 H new ATOM 0 HG2 LYS A 54 -6.385 -7.855 10.795 1.00 2.12 H new ATOM 0 HG3 LYS A 54 -6.477 -6.108 10.890 1.00 2.12 H new ATOM 0 HD2 LYS A 54 -8.719 -6.122 11.624 1.00 2.22 H new ATOM 0 HD3 LYS A 54 -9.048 -7.697 10.930 1.00 2.22 H new ATOM 0 HE2 LYS A 54 -7.103 -8.401 12.719 1.00 3.42 H new ATOM 0 HE3 LYS A 54 -7.761 -7.005 13.551 1.00 3.42 H new ATOM 0 HZ1 LYS A 54 -8.913 -9.023 14.178 1.00 3.36 H new ATOM 0 HZ2 LYS A 54 -9.974 -7.975 13.368 1.00 3.36 H new ATOM 0 HZ3 LYS A 54 -9.336 -9.326 12.562 1.00 3.36 H new ATOM 791 N ALA A 55 -5.328 -6.553 6.417 1.00 0.67 N ATOM 792 CA ALA A 55 -5.132 -6.784 4.997 1.00 0.57 C ATOM 793 C ALA A 55 -4.078 -7.876 4.801 1.00 0.63 C ATOM 794 O ALA A 55 -3.477 -8.343 5.768 1.00 0.78 O ATOM 795 CB ALA A 55 -4.744 -5.471 4.314 1.00 0.57 C ATOM 0 H ALA A 55 -4.524 -6.782 7.001 1.00 0.67 H new ATOM 0 HA ALA A 55 -6.056 -7.132 4.535 1.00 0.57 H new ATOM 0 HB1 ALA A 55 -4.597 -5.645 3.248 1.00 0.57 H new ATOM 0 HB2 ALA A 55 -5.539 -4.738 4.456 1.00 0.57 H new ATOM 0 HB3 ALA A 55 -3.820 -5.093 4.751 1.00 0.57 H new ATOM 801 N ALA A 56 -3.887 -8.252 3.546 1.00 0.59 N ATOM 802 CA ALA A 56 -2.917 -9.281 3.212 1.00 0.74 C ATOM 803 C ALA A 56 -2.094 -8.825 2.006 1.00 0.57 C ATOM 804 O ALA A 56 -2.606 -8.140 1.122 1.00 0.45 O ATOM 805 CB ALA A 56 -3.642 -10.603 2.958 1.00 0.96 C ATOM 0 H ALA A 56 -4.388 -7.863 2.747 1.00 0.59 H new ATOM 0 HA ALA A 56 -2.227 -9.443 4.040 1.00 0.74 H new ATOM 0 HB1 ALA A 56 -2.914 -11.375 2.707 1.00 0.96 H new ATOM 0 HB2 ALA A 56 -4.188 -10.897 3.854 1.00 0.96 H new ATOM 0 HB3 ALA A 56 -4.341 -10.481 2.131 1.00 0.96 H new ATOM 811 N VAL A 57 -0.830 -9.226 2.007 1.00 0.70 N ATOM 812 CA VAL A 57 0.069 -8.867 0.923 1.00 0.59 C ATOM 813 C VAL A 57 0.455 -10.129 0.148 1.00 0.63 C ATOM 814 O VAL A 57 1.034 -11.056 0.712 1.00 0.74 O ATOM 815 CB VAL A 57 1.281 -8.113 1.475 1.00 0.64 C ATOM 816 CG1 VAL A 57 0.844 -6.866 2.247 1.00 1.65 C ATOM 817 CG2 VAL A 57 2.142 -9.025 2.351 1.00 2.05 C ATOM 0 H VAL A 57 -0.408 -9.795 2.741 1.00 0.70 H new ATOM 0 HA VAL A 57 -0.426 -8.193 0.224 1.00 0.59 H new ATOM 0 HB VAL A 57 1.888 -7.790 0.630 1.00 0.64 H new ATOM 0 HG11 VAL A 57 1.724 -6.348 2.629 1.00 1.65 H new ATOM 0 HG12 VAL A 57 0.292 -6.202 1.582 1.00 1.65 H new ATOM 0 HG13 VAL A 57 0.205 -7.159 3.080 1.00 1.65 H new ATOM 0 HG21 VAL A 57 2.996 -8.464 2.730 1.00 2.05 H new ATOM 0 HG22 VAL A 57 1.548 -9.392 3.188 1.00 2.05 H new ATOM 0 HG23 VAL A 57 2.496 -9.869 1.760 1.00 2.05 H new ATOM 827 N SER A 58 0.115 -10.124 -1.133 1.00 0.61 N ATOM 828 CA SER A 58 0.418 -11.257 -1.992 1.00 0.71 C ATOM 829 C SER A 58 1.420 -10.843 -3.070 1.00 0.59 C ATOM 830 O SER A 58 1.783 -9.672 -3.169 1.00 1.14 O ATOM 831 CB SER A 58 -0.852 -11.816 -2.634 1.00 1.07 C ATOM 832 OG SER A 58 -1.602 -12.619 -1.727 1.00 1.40 O ATOM 0 H SER A 58 -0.367 -9.354 -1.597 1.00 0.61 H new ATOM 0 HA SER A 58 0.859 -12.043 -1.379 1.00 0.71 H new ATOM 0 HB2 SER A 58 -1.472 -10.992 -2.986 1.00 1.07 H new ATOM 0 HB3 SER A 58 -0.585 -12.410 -3.508 1.00 1.07 H new ATOM 0 HG SER A 58 -2.406 -12.955 -2.176 1.00 1.40 H new ATOM 838 N GLY A 59 1.841 -11.826 -3.852 1.00 0.77 N ATOM 839 CA GLY A 59 2.795 -11.580 -4.919 1.00 0.62 C ATOM 840 C GLY A 59 2.497 -12.460 -6.136 1.00 0.91 C ATOM 841 O GLY A 59 2.029 -13.587 -5.990 1.00 1.25 O ATOM 0 H GLY A 59 1.538 -12.796 -3.767 1.00 0.77 H new ATOM 0 HA2 GLY A 59 2.760 -10.530 -5.208 1.00 0.62 H new ATOM 0 HA3 GLY A 59 3.805 -11.778 -4.561 1.00 0.62 H new ATOM 885 N LYS A 64 8.955 -9.507 -7.130 1.00 1.08 N ATOM 886 CA LYS A 64 9.010 -8.212 -7.787 1.00 0.87 C ATOM 887 C LYS A 64 7.588 -7.674 -7.961 1.00 0.68 C ATOM 888 O LYS A 64 7.356 -6.472 -7.837 1.00 0.77 O ATOM 889 CB LYS A 64 9.796 -8.310 -9.096 1.00 0.79 C ATOM 890 CG LYS A 64 8.997 -9.062 -10.161 1.00 0.79 C ATOM 891 CD LYS A 64 9.896 -9.479 -11.328 1.00 1.22 C ATOM 892 CE LYS A 64 9.114 -10.300 -12.356 1.00 1.87 C ATOM 893 NZ LYS A 64 9.384 -9.809 -13.725 1.00 2.10 N ATOM 0 HA LYS A 64 9.550 -7.493 -7.171 1.00 0.87 H new ATOM 0 HB2 LYS A 64 10.036 -7.309 -9.456 1.00 0.79 H new ATOM 0 HB3 LYS A 64 10.742 -8.821 -8.918 1.00 0.79 H new ATOM 0 HG2 LYS A 64 8.536 -9.945 -9.719 1.00 0.79 H new ATOM 0 HG3 LYS A 64 8.188 -8.430 -10.528 1.00 0.79 H new ATOM 0 HD2 LYS A 64 10.312 -8.592 -11.806 1.00 1.22 H new ATOM 0 HD3 LYS A 64 10.736 -10.064 -10.954 1.00 1.22 H new ATOM 0 HE2 LYS A 64 9.393 -11.351 -12.279 1.00 1.87 H new ATOM 0 HE3 LYS A 64 8.047 -10.237 -12.145 1.00 1.87 H new ATOM 0 HZ1 LYS A 64 8.846 -10.377 -14.410 1.00 2.10 H new ATOM 0 HZ2 LYS A 64 9.096 -8.812 -13.799 1.00 2.10 H new ATOM 0 HZ3 LYS A 64 10.400 -9.892 -13.929 1.00 2.10 H new ATOM 907 N THR A 65 6.673 -8.588 -8.247 1.00 0.56 N ATOM 908 CA THR A 65 5.281 -8.220 -8.440 1.00 0.48 C ATOM 909 C THR A 65 4.479 -8.478 -7.162 1.00 0.45 C ATOM 910 O THR A 65 4.298 -9.626 -6.760 1.00 0.53 O ATOM 911 CB THR A 65 4.753 -8.987 -9.654 1.00 0.59 C ATOM 912 OG1 THR A 65 5.188 -8.214 -10.769 1.00 0.63 O ATOM 913 CG2 THR A 65 3.226 -8.952 -9.749 1.00 0.73 C ATOM 0 H THR A 65 6.869 -9.584 -8.350 1.00 0.56 H new ATOM 0 HA THR A 65 5.178 -7.154 -8.641 1.00 0.48 H new ATOM 0 HB THR A 65 5.090 -10.022 -9.604 1.00 0.59 H new ATOM 0 HG1 THR A 65 5.120 -7.261 -10.553 1.00 0.63 H new ATOM 0 HG21 THR A 65 2.903 -9.511 -10.627 1.00 0.73 H new ATOM 0 HG22 THR A 65 2.795 -9.402 -8.854 1.00 0.73 H new ATOM 0 HG23 THR A 65 2.890 -7.918 -9.833 1.00 0.73 H new ATOM 921 N MET A 66 4.021 -7.390 -6.560 1.00 0.42 N ATOM 922 CA MET A 66 3.243 -7.484 -5.337 1.00 0.40 C ATOM 923 C MET A 66 1.799 -7.036 -5.569 1.00 0.35 C ATOM 924 O MET A 66 1.538 -6.191 -6.425 1.00 0.35 O ATOM 925 CB MET A 66 3.882 -6.608 -4.256 1.00 0.41 C ATOM 926 CG MET A 66 4.122 -7.407 -2.974 1.00 0.62 C ATOM 927 SD MET A 66 5.864 -7.739 -2.779 1.00 1.13 S ATOM 928 CE MET A 66 6.178 -8.644 -4.284 1.00 1.28 C ATOM 0 H MET A 66 4.174 -6.439 -6.897 1.00 0.42 H new ATOM 0 HA MET A 66 3.233 -8.525 -5.015 1.00 0.40 H new ATOM 0 HB2 MET A 66 4.827 -6.206 -4.620 1.00 0.41 H new ATOM 0 HB3 MET A 66 3.235 -5.757 -4.043 1.00 0.41 H new ATOM 0 HG2 MET A 66 3.751 -6.850 -2.114 1.00 0.62 H new ATOM 0 HG3 MET A 66 3.567 -8.344 -3.010 1.00 0.62 H new ATOM 0 HE1 MET A 66 7.074 -9.253 -4.162 1.00 1.28 H new ATOM 0 HE2 MET A 66 5.328 -9.290 -4.504 1.00 1.28 H new ATOM 0 HE3 MET A 66 6.324 -7.943 -5.106 1.00 1.28 H new ATOM 938 N VAL A 67 0.899 -7.621 -4.793 1.00 0.40 N ATOM 939 CA VAL A 67 -0.512 -7.292 -4.903 1.00 0.39 C ATOM 940 C VAL A 67 -1.144 -7.299 -3.510 1.00 0.41 C ATOM 941 O VAL A 67 -1.228 -8.345 -2.867 1.00 0.52 O ATOM 942 CB VAL A 67 -1.198 -8.254 -5.877 1.00 0.43 C ATOM 943 CG1 VAL A 67 -1.101 -7.741 -7.314 1.00 1.97 C ATOM 944 CG2 VAL A 67 -0.616 -9.664 -5.756 1.00 1.72 C ATOM 0 H VAL A 67 1.119 -8.321 -4.085 1.00 0.40 H new ATOM 0 HA VAL A 67 -0.640 -6.290 -5.312 1.00 0.39 H new ATOM 0 HB VAL A 67 -2.254 -8.304 -5.611 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -1.596 -8.443 -7.985 1.00 1.97 H new ATOM 0 HG12 VAL A 67 -1.585 -6.767 -7.386 1.00 1.97 H new ATOM 0 HG13 VAL A 67 -0.053 -7.647 -7.597 1.00 1.97 H new ATOM 0 HG21 VAL A 67 -1.121 -10.327 -6.458 1.00 1.72 H new ATOM 0 HG22 VAL A 67 0.450 -9.638 -5.983 1.00 1.72 H new ATOM 0 HG23 VAL A 67 -0.762 -10.032 -4.740 1.00 1.72 H new ATOM 954 N ILE A 68 -1.573 -6.120 -3.084 1.00 0.35 N ATOM 955 CA ILE A 68 -2.195 -5.977 -1.779 1.00 0.36 C ATOM 956 C ILE A 68 -3.703 -6.203 -1.910 1.00 0.38 C ATOM 957 O ILE A 68 -4.352 -5.604 -2.766 1.00 0.42 O ATOM 958 CB ILE A 68 -1.826 -4.630 -1.155 1.00 0.39 C ATOM 959 CG1 ILE A 68 -0.549 -4.743 -0.319 1.00 0.50 C ATOM 960 CG2 ILE A 68 -2.994 -4.064 -0.343 1.00 0.46 C ATOM 961 CD1 ILE A 68 0.689 -4.805 -1.217 1.00 0.57 C ATOM 0 H ILE A 68 -1.502 -5.255 -3.620 1.00 0.35 H new ATOM 0 HA ILE A 68 -1.818 -6.734 -1.092 1.00 0.36 H new ATOM 0 HB ILE A 68 -1.621 -3.925 -1.961 1.00 0.39 H new ATOM 0 HG12 ILE A 68 -0.473 -3.888 0.353 1.00 0.50 H new ATOM 0 HG13 ILE A 68 -0.596 -5.636 0.305 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -2.706 -3.106 0.090 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -3.856 -3.923 -0.995 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -3.253 -4.760 0.455 1.00 0.46 H new ATOM 0 HD11 ILE A 68 1.583 -4.885 -0.599 1.00 0.57 H new ATOM 0 HD12 ILE A 68 0.621 -5.674 -1.871 1.00 0.57 H new ATOM 0 HD13 ILE A 68 0.746 -3.900 -1.822 1.00 0.57 H new ATOM 973 N THR A 69 -4.215 -7.070 -1.048 1.00 0.41 N ATOM 974 CA THR A 69 -5.634 -7.382 -1.057 1.00 0.48 C ATOM 975 C THR A 69 -6.162 -7.502 0.374 1.00 0.43 C ATOM 976 O THR A 69 -5.855 -8.465 1.075 1.00 0.52 O ATOM 977 CB THR A 69 -5.835 -8.652 -1.887 1.00 0.65 C ATOM 978 OG1 THR A 69 -6.559 -8.208 -3.031 1.00 0.77 O ATOM 979 CG2 THR A 69 -6.778 -9.649 -1.212 1.00 0.64 C ATOM 0 H THR A 69 -3.673 -7.565 -0.340 1.00 0.41 H new ATOM 0 HA THR A 69 -6.212 -6.581 -1.518 1.00 0.48 H new ATOM 0 HB THR A 69 -4.870 -9.128 -2.063 1.00 0.65 H new ATOM 0 HG1 THR A 69 -6.731 -8.968 -3.625 1.00 0.77 H new ATOM 0 HG21 THR A 69 -6.886 -10.532 -1.842 1.00 0.64 H new ATOM 0 HG22 THR A 69 -6.367 -9.941 -0.246 1.00 0.64 H new ATOM 0 HG23 THR A 69 -7.754 -9.186 -1.066 1.00 0.64 H new ATOM 987 N PRO A 70 -6.969 -6.484 0.776 1.00 0.39 N ATOM 988 CA PRO A 70 -7.544 -6.467 2.111 1.00 0.40 C ATOM 989 C PRO A 70 -8.693 -7.470 2.227 1.00 0.43 C ATOM 990 O PRO A 70 -9.548 -7.545 1.346 1.00 0.50 O ATOM 991 CB PRO A 70 -7.986 -5.029 2.330 1.00 0.47 C ATOM 992 CG PRO A 70 -8.070 -4.403 0.948 1.00 0.53 C ATOM 993 CD PRO A 70 -7.357 -5.328 -0.026 1.00 0.47 C ATOM 0 HA PRO A 70 -6.833 -6.773 2.879 1.00 0.40 H new ATOM 0 HB2 PRO A 70 -8.951 -4.990 2.836 1.00 0.47 H new ATOM 0 HB3 PRO A 70 -7.275 -4.493 2.959 1.00 0.47 H new ATOM 0 HG2 PRO A 70 -9.110 -4.267 0.653 1.00 0.53 H new ATOM 0 HG3 PRO A 70 -7.606 -3.416 0.947 1.00 0.53 H new ATOM 0 HD2 PRO A 70 -8.012 -5.618 -0.848 1.00 0.47 H new ATOM 0 HD3 PRO A 70 -6.487 -4.843 -0.468 1.00 0.47 H new ATOM 1001 N ALA A 71 -8.676 -8.217 3.322 1.00 0.50 N ATOM 1002 CA ALA A 71 -9.707 -9.213 3.564 1.00 0.59 C ATOM 1003 C ALA A 71 -11.044 -8.509 3.802 1.00 0.57 C ATOM 1004 O ALA A 71 -12.102 -9.065 3.512 1.00 0.69 O ATOM 1005 CB ALA A 71 -9.295 -10.096 4.743 1.00 0.71 C ATOM 0 H ALA A 71 -7.965 -8.153 4.051 1.00 0.50 H new ATOM 0 HA ALA A 71 -9.826 -9.862 2.696 1.00 0.59 H new ATOM 0 HB1 ALA A 71 -10.067 -10.843 4.925 1.00 0.71 H new ATOM 0 HB2 ALA A 71 -8.354 -10.596 4.512 1.00 0.71 H new ATOM 0 HB3 ALA A 71 -9.169 -9.479 5.633 1.00 0.71 H new ATOM 1011 N SER A 72 -10.953 -7.296 4.327 1.00 0.52 N ATOM 1012 CA SER A 72 -12.142 -6.510 4.608 1.00 0.55 C ATOM 1013 C SER A 72 -12.417 -5.546 3.452 1.00 0.50 C ATOM 1014 O SER A 72 -11.489 -5.082 2.793 1.00 0.46 O ATOM 1015 CB SER A 72 -11.996 -5.738 5.920 1.00 0.61 C ATOM 1016 OG SER A 72 -13.218 -5.694 6.653 1.00 0.77 O ATOM 0 H SER A 72 -10.073 -6.838 4.565 1.00 0.52 H new ATOM 0 HA SER A 72 -12.986 -7.192 4.713 1.00 0.55 H new ATOM 0 HB2 SER A 72 -11.223 -6.205 6.531 1.00 0.61 H new ATOM 0 HB3 SER A 72 -11.664 -4.722 5.708 1.00 0.61 H new ATOM 0 HG SER A 72 -13.083 -5.194 7.485 1.00 0.77 H new ATOM 1022 N PRO A 73 -13.731 -5.268 3.236 1.00 0.55 N ATOM 1023 CA PRO A 73 -14.139 -4.367 2.171 1.00 0.54 C ATOM 1024 C PRO A 73 -13.856 -2.911 2.546 1.00 0.48 C ATOM 1025 O PRO A 73 -14.203 -2.470 3.639 1.00 0.52 O ATOM 1026 CB PRO A 73 -15.618 -4.650 1.962 1.00 0.65 C ATOM 1027 CG PRO A 73 -16.089 -5.359 3.221 1.00 0.70 C ATOM 1028 CD PRO A 73 -14.858 -5.800 3.996 1.00 0.64 C ATOM 0 HA PRO A 73 -13.582 -4.527 1.248 1.00 0.54 H new ATOM 0 HB2 PRO A 73 -16.174 -3.726 1.803 1.00 0.65 H new ATOM 0 HB3 PRO A 73 -15.776 -5.272 1.081 1.00 0.65 H new ATOM 0 HG2 PRO A 73 -16.703 -4.693 3.827 1.00 0.70 H new ATOM 0 HG3 PRO A 73 -16.708 -6.219 2.966 1.00 0.70 H new ATOM 0 HD2 PRO A 73 -14.869 -5.409 5.013 1.00 0.64 H new ATOM 0 HD3 PRO A 73 -14.806 -6.886 4.073 1.00 0.64 H new ATOM 1036 N LEU A 74 -13.229 -2.206 1.616 1.00 0.44 N ATOM 1037 CA LEU A 74 -12.896 -0.808 1.834 1.00 0.42 C ATOM 1038 C LEU A 74 -14.135 0.053 1.580 1.00 0.43 C ATOM 1039 O LEU A 74 -14.648 0.094 0.464 1.00 0.48 O ATOM 1040 CB LEU A 74 -11.685 -0.407 0.990 1.00 0.46 C ATOM 1041 CG LEU A 74 -10.400 -1.200 1.242 1.00 0.49 C ATOM 1042 CD1 LEU A 74 -9.348 -0.891 0.175 1.00 0.59 C ATOM 1043 CD2 LEU A 74 -9.872 -0.951 2.656 1.00 0.52 C ATOM 0 H LEU A 74 -12.943 -2.576 0.710 1.00 0.44 H new ATOM 0 HA LEU A 74 -12.601 -0.645 2.870 1.00 0.42 H new ATOM 0 HB2 LEU A 74 -11.951 -0.508 -0.062 1.00 0.46 H new ATOM 0 HB3 LEU A 74 -11.478 0.649 1.166 1.00 0.46 H new ATOM 0 HG LEU A 74 -10.633 -2.262 1.167 1.00 0.49 H new ATOM 0 HD11 LEU A 74 -8.445 -1.467 0.377 1.00 0.59 H new ATOM 0 HD12 LEU A 74 -9.737 -1.158 -0.808 1.00 0.59 H new ATOM 0 HD13 LEU A 74 -9.112 0.173 0.194 1.00 0.59 H new ATOM 0 HD21 LEU A 74 -8.959 -1.526 2.810 1.00 0.52 H new ATOM 0 HD22 LEU A 74 -9.659 0.110 2.783 1.00 0.52 H new ATOM 0 HD23 LEU A 74 -10.622 -1.260 3.384 1.00 0.52 H new ATOM 1055 N THR A 75 -14.579 0.719 2.636 1.00 0.43 N ATOM 1056 CA THR A 75 -15.748 1.578 2.540 1.00 0.49 C ATOM 1057 C THR A 75 -15.328 3.019 2.242 1.00 0.48 C ATOM 1058 O THR A 75 -14.140 3.336 2.241 1.00 0.49 O ATOM 1059 CB THR A 75 -16.546 1.434 3.838 1.00 0.57 C ATOM 1060 OG1 THR A 75 -15.675 1.951 4.841 1.00 0.61 O ATOM 1061 CG2 THR A 75 -16.752 -0.027 4.240 1.00 0.58 C ATOM 0 H THR A 75 -14.151 0.682 3.561 1.00 0.43 H new ATOM 0 HA THR A 75 -16.390 1.282 1.711 1.00 0.49 H new ATOM 0 HB THR A 75 -17.516 1.919 3.723 1.00 0.57 H new ATOM 0 HG1 THR A 75 -16.114 1.897 5.715 1.00 0.61 H new ATOM 0 HG21 THR A 75 -17.324 -0.072 5.167 1.00 0.58 H new ATOM 0 HG22 THR A 75 -17.296 -0.548 3.452 1.00 0.58 H new ATOM 0 HG23 THR A 75 -15.783 -0.504 4.388 1.00 0.58 H new ATOM 1069 N ALA A 76 -16.329 3.853 1.995 1.00 0.51 N ATOM 1070 CA ALA A 76 -16.079 5.253 1.696 1.00 0.54 C ATOM 1071 C ALA A 76 -15.143 5.838 2.756 1.00 0.54 C ATOM 1072 O ALA A 76 -14.912 5.220 3.794 1.00 0.64 O ATOM 1073 CB ALA A 76 -17.409 6.002 1.615 1.00 0.61 C ATOM 0 H ALA A 76 -17.313 3.586 1.996 1.00 0.51 H new ATOM 0 HA ALA A 76 -15.587 5.357 0.729 1.00 0.54 H new ATOM 0 HB1 ALA A 76 -17.222 7.052 1.391 1.00 0.61 H new ATOM 0 HB2 ALA A 76 -18.024 5.567 0.828 1.00 0.61 H new ATOM 0 HB3 ALA A 76 -17.930 5.922 2.569 1.00 0.61 H new ATOM 1079 N GLY A 77 -14.631 7.023 2.458 1.00 0.53 N ATOM 1080 CA GLY A 77 -13.726 7.698 3.372 1.00 0.54 C ATOM 1081 C GLY A 77 -12.377 7.973 2.705 1.00 0.53 C ATOM 1082 O GLY A 77 -12.306 8.154 1.491 1.00 0.57 O ATOM 0 H GLY A 77 -14.826 7.533 1.596 1.00 0.53 H new ATOM 0 HA2 GLY A 77 -14.170 8.637 3.702 1.00 0.54 H new ATOM 0 HA3 GLY A 77 -13.578 7.085 4.261 1.00 0.54 H new ATOM 1086 N THR A 78 -11.339 7.996 3.528 1.00 0.52 N ATOM 1087 CA THR A 78 -9.996 8.246 3.033 1.00 0.51 C ATOM 1088 C THR A 78 -8.988 7.338 3.743 1.00 0.46 C ATOM 1089 O THR A 78 -9.007 7.221 4.966 1.00 0.52 O ATOM 1090 CB THR A 78 -9.698 9.737 3.207 1.00 0.57 C ATOM 1091 OG1 THR A 78 -10.505 10.369 2.217 1.00 0.65 O ATOM 1092 CG2 THR A 78 -8.266 10.097 2.806 1.00 0.68 C ATOM 0 H THR A 78 -11.401 7.846 4.535 1.00 0.52 H new ATOM 0 HA THR A 78 -9.914 8.005 1.973 1.00 0.51 H new ATOM 0 HB THR A 78 -9.868 10.023 4.245 1.00 0.57 H new ATOM 0 HG1 THR A 78 -10.375 11.339 2.260 1.00 0.65 H new ATOM 0 HG21 THR A 78 -8.106 11.166 2.948 1.00 0.68 H new ATOM 0 HG22 THR A 78 -7.564 9.539 3.426 1.00 0.68 H new ATOM 0 HG23 THR A 78 -8.107 9.843 1.758 1.00 0.68 H new ATOM 1100 N TYR A 79 -8.134 6.718 2.943 1.00 0.40 N ATOM 1101 CA TYR A 79 -7.120 5.825 3.478 1.00 0.37 C ATOM 1102 C TYR A 79 -5.756 6.102 2.845 1.00 0.37 C ATOM 1103 O TYR A 79 -5.653 6.875 1.894 1.00 0.44 O ATOM 1104 CB TYR A 79 -7.566 4.410 3.103 1.00 0.37 C ATOM 1105 CG TYR A 79 -8.979 4.057 3.573 1.00 0.40 C ATOM 1106 CD1 TYR A 79 -10.069 4.698 3.020 1.00 1.68 C ATOM 1107 CD2 TYR A 79 -9.163 3.098 4.547 1.00 1.98 C ATOM 1108 CE1 TYR A 79 -11.399 4.367 3.462 1.00 1.67 C ATOM 1109 CE2 TYR A 79 -10.492 2.766 4.988 1.00 2.03 C ATOM 1110 CZ TYR A 79 -11.545 3.416 4.423 1.00 0.55 C ATOM 1111 OH TYR A 79 -12.801 3.103 4.840 1.00 0.66 O ATOM 0 H TYR A 79 -8.123 6.816 1.928 1.00 0.40 H new ATOM 0 HA TYR A 79 -7.018 5.960 4.555 1.00 0.37 H new ATOM 0 HB2 TYR A 79 -7.516 4.300 2.020 1.00 0.37 H new ATOM 0 HB3 TYR A 79 -6.863 3.694 3.529 1.00 0.37 H new ATOM 0 HD1 TYR A 79 -9.925 5.448 2.256 1.00 1.68 H new ATOM 0 HD2 TYR A 79 -8.310 2.596 4.979 1.00 1.98 H new ATOM 0 HE1 TYR A 79 -12.261 4.863 3.040 1.00 1.67 H new ATOM 0 HE2 TYR A 79 -10.650 2.018 5.750 1.00 2.03 H new ATOM 0 HH TYR A 79 -13.415 3.131 4.077 1.00 0.66 H new ATOM 1121 N LYS A 80 -4.740 5.455 3.399 1.00 0.38 N ATOM 1122 CA LYS A 80 -3.386 5.621 2.901 1.00 0.41 C ATOM 1123 C LYS A 80 -2.623 4.304 3.058 1.00 0.39 C ATOM 1124 O LYS A 80 -2.337 3.878 4.176 1.00 0.43 O ATOM 1125 CB LYS A 80 -2.706 6.811 3.583 1.00 0.46 C ATOM 1126 CG LYS A 80 -1.212 6.850 3.257 1.00 1.18 C ATOM 1127 CD LYS A 80 -0.372 6.513 4.490 1.00 2.14 C ATOM 1128 CE LYS A 80 0.333 7.760 5.031 1.00 2.28 C ATOM 1129 NZ LYS A 80 0.423 7.705 6.507 1.00 3.15 N ATOM 0 H LYS A 80 -4.828 4.815 4.188 1.00 0.38 H new ATOM 0 HA LYS A 80 -3.398 5.857 1.837 1.00 0.41 H new ATOM 0 HB2 LYS A 80 -3.177 7.739 3.258 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -2.845 6.744 4.662 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -0.992 6.142 2.458 1.00 1.18 H new ATOM 0 HG3 LYS A 80 -0.942 7.840 2.889 1.00 1.18 H new ATOM 0 HD2 LYS A 80 -1.010 6.087 5.264 1.00 2.14 H new ATOM 0 HD3 LYS A 80 0.368 5.755 4.234 1.00 2.14 H new ATOM 0 HE2 LYS A 80 1.332 7.835 4.602 1.00 2.28 H new ATOM 0 HE3 LYS A 80 -0.212 8.654 4.727 1.00 2.28 H new ATOM 0 HZ1 LYS A 80 0.904 8.558 6.858 1.00 3.15 H new ATOM 0 HZ2 LYS A 80 -0.534 7.656 6.912 1.00 3.15 H new ATOM 0 HZ3 LYS A 80 0.963 6.862 6.791 1.00 3.15 H new ATOM 1143 N VAL A 81 -2.315 3.697 1.922 1.00 0.39 N ATOM 1144 CA VAL A 81 -1.591 2.437 1.919 1.00 0.39 C ATOM 1145 C VAL A 81 -0.089 2.716 1.997 1.00 0.41 C ATOM 1146 O VAL A 81 0.481 3.321 1.090 1.00 0.50 O ATOM 1147 CB VAL A 81 -1.983 1.610 0.693 1.00 0.40 C ATOM 1148 CG1 VAL A 81 -1.307 0.238 0.717 1.00 0.52 C ATOM 1149 CG2 VAL A 81 -3.504 1.470 0.590 1.00 0.43 C ATOM 0 H VAL A 81 -2.553 4.054 0.997 1.00 0.39 H new ATOM 0 HA VAL A 81 -1.857 1.843 2.793 1.00 0.39 H new ATOM 0 HB VAL A 81 -1.634 2.139 -0.193 1.00 0.40 H new ATOM 0 HG11 VAL A 81 -1.603 -0.329 -0.166 1.00 0.52 H new ATOM 0 HG12 VAL A 81 -0.225 0.366 0.720 1.00 0.52 H new ATOM 0 HG13 VAL A 81 -1.611 -0.302 1.614 1.00 0.52 H new ATOM 0 HG21 VAL A 81 -3.756 0.878 -0.290 1.00 0.43 H new ATOM 0 HG22 VAL A 81 -3.885 0.974 1.483 1.00 0.43 H new ATOM 0 HG23 VAL A 81 -3.955 2.458 0.504 1.00 0.43 H new ATOM 1159 N ASP A 82 0.510 2.263 3.088 1.00 0.46 N ATOM 1160 CA ASP A 82 1.935 2.456 3.295 1.00 0.48 C ATOM 1161 C ASP A 82 2.682 1.184 2.893 1.00 0.46 C ATOM 1162 O ASP A 82 2.511 0.136 3.515 1.00 0.53 O ATOM 1163 CB ASP A 82 2.244 2.741 4.767 1.00 0.59 C ATOM 1164 CG ASP A 82 1.597 4.007 5.330 1.00 0.65 C ATOM 1165 OD1 ASP A 82 0.392 3.856 5.766 1.00 1.54 O ATOM 1166 OD2 ASP A 82 2.212 5.083 5.352 1.00 1.91 O ATOM 0 H ASP A 82 0.034 1.762 3.839 1.00 0.46 H new ATOM 0 HA ASP A 82 2.252 3.305 2.689 1.00 0.48 H new ATOM 0 HB2 ASP A 82 1.918 1.889 5.363 1.00 0.59 H new ATOM 0 HB3 ASP A 82 3.325 2.819 4.887 1.00 0.59 H new ATOM 1171 N TRP A 83 3.495 1.316 1.854 1.00 0.43 N ATOM 1172 CA TRP A 83 4.268 0.189 1.361 1.00 0.45 C ATOM 1173 C TRP A 83 5.740 0.447 1.689 1.00 0.50 C ATOM 1174 O TRP A 83 6.144 1.591 1.891 1.00 0.48 O ATOM 1175 CB TRP A 83 4.019 -0.035 -0.132 1.00 0.41 C ATOM 1176 CG TRP A 83 4.178 1.224 -0.986 1.00 0.35 C ATOM 1177 CD1 TRP A 83 3.216 2.038 -1.442 1.00 0.37 C ATOM 1178 CD2 TRP A 83 5.416 1.785 -1.470 1.00 0.37 C ATOM 1179 NE1 TRP A 83 3.741 3.077 -2.183 1.00 0.39 N ATOM 1180 CE2 TRP A 83 5.122 2.918 -2.200 1.00 0.37 C ATOM 1181 CE3 TRP A 83 6.742 1.348 -1.298 1.00 0.45 C ATOM 1182 CZ2 TRP A 83 6.101 3.709 -2.814 1.00 0.41 C ATOM 1183 CZ3 TRP A 83 7.708 2.148 -1.918 1.00 0.49 C ATOM 1184 CH2 TRP A 83 7.428 3.293 -2.655 1.00 0.46 C ATOM 0 H TRP A 83 3.635 2.186 1.341 1.00 0.43 H new ATOM 0 HA TRP A 83 3.959 -0.735 1.850 1.00 0.45 H new ATOM 0 HB2 TRP A 83 4.709 -0.797 -0.494 1.00 0.41 H new ATOM 0 HB3 TRP A 83 3.011 -0.428 -0.267 1.00 0.41 H new ATOM 0 HD1 TRP A 83 2.162 1.898 -1.253 1.00 0.37 H new ATOM 0 HE1 TRP A 83 3.213 3.824 -2.635 1.00 0.39 H new ATOM 0 HE3 TRP A 83 6.995 0.464 -0.732 1.00 0.45 H new ATOM 0 HZ2 TRP A 83 5.846 4.593 -3.380 1.00 0.41 H new ATOM 0 HZ3 TRP A 83 8.743 1.856 -1.817 1.00 0.49 H new ATOM 0 HH2 TRP A 83 8.231 3.859 -3.103 1.00 0.46 H new ATOM 1195 N ARG A 84 6.502 -0.636 1.733 1.00 0.61 N ATOM 1196 CA ARG A 84 7.921 -0.541 2.034 1.00 0.67 C ATOM 1197 C ARG A 84 8.708 -1.559 1.204 1.00 0.71 C ATOM 1198 O ARG A 84 8.373 -2.743 1.188 1.00 0.85 O ATOM 1199 CB ARG A 84 8.187 -0.789 3.520 1.00 0.80 C ATOM 1200 CG ARG A 84 7.855 0.452 4.350 1.00 0.91 C ATOM 1201 CD ARG A 84 6.826 0.127 5.435 1.00 1.52 C ATOM 1202 NE ARG A 84 7.302 0.618 6.747 1.00 1.55 N ATOM 1203 CZ ARG A 84 6.705 0.333 7.924 1.00 2.12 C ATOM 1204 NH1 ARG A 84 5.602 -0.445 7.962 1.00 2.90 N ATOM 1205 NH2 ARG A 84 7.217 0.824 9.037 1.00 2.86 N ATOM 0 H ARG A 84 6.164 -1.584 1.565 1.00 0.61 H new ATOM 0 HA ARG A 84 8.247 0.468 1.783 1.00 0.67 H new ATOM 0 HB2 ARG A 84 7.589 -1.632 3.865 1.00 0.80 H new ATOM 0 HB3 ARG A 84 9.233 -1.060 3.666 1.00 0.80 H new ATOM 0 HG2 ARG A 84 8.764 0.840 4.810 1.00 0.91 H new ATOM 0 HG3 ARG A 84 7.467 1.236 3.699 1.00 0.91 H new ATOM 0 HD2 ARG A 84 5.869 0.588 5.190 1.00 1.52 H new ATOM 0 HD3 ARG A 84 6.659 -0.949 5.479 1.00 1.52 H new ATOM 0 HE ARG A 84 8.133 1.209 6.763 1.00 1.55 H new ATOM 0 HH11 ARG A 84 5.214 -0.822 7.097 1.00 2.90 H new ATOM 0 HH12 ARG A 84 5.157 -0.656 8.855 1.00 2.90 H new ATOM 0 HH21 ARG A 84 8.052 1.409 9.000 1.00 2.86 H new ATOM 0 HH22 ARG A 84 6.778 0.618 9.934 1.00 2.86 H new ATOM 1324 N ILE A 93 13.489 1.312 2.088 1.00 0.95 N ATOM 1325 CA ILE A 93 12.699 2.242 1.300 1.00 0.93 C ATOM 1326 C ILE A 93 11.234 2.156 1.733 1.00 0.91 C ATOM 1327 O ILE A 93 10.713 1.065 1.958 1.00 1.25 O ATOM 1328 CB ILE A 93 12.912 1.994 -0.195 1.00 0.98 C ATOM 1329 CG1 ILE A 93 14.348 2.327 -0.606 1.00 1.57 C ATOM 1330 CG2 ILE A 93 11.885 2.761 -1.030 1.00 1.36 C ATOM 1331 CD1 ILE A 93 15.078 1.080 -1.109 1.00 2.67 C ATOM 0 HA ILE A 93 13.026 3.266 1.481 1.00 0.93 H new ATOM 0 HB ILE A 93 12.758 0.933 -0.391 1.00 0.98 H new ATOM 0 HG12 ILE A 93 14.339 3.087 -1.387 1.00 1.57 H new ATOM 0 HG13 ILE A 93 14.885 2.749 0.244 1.00 1.57 H new ATOM 0 HG21 ILE A 93 12.059 2.567 -2.088 1.00 1.36 H new ATOM 0 HG22 ILE A 93 10.880 2.434 -0.761 1.00 1.36 H new ATOM 0 HG23 ILE A 93 11.983 3.829 -0.836 1.00 1.36 H new ATOM 0 HD11 ILE A 93 16.096 1.345 -1.394 1.00 2.67 H new ATOM 0 HD12 ILE A 93 15.106 0.331 -0.318 1.00 2.67 H new ATOM 0 HD13 ILE A 93 14.552 0.675 -1.974 1.00 2.67 H new ATOM 1343 N THR A 94 10.611 3.320 1.839 1.00 0.69 N ATOM 1344 CA THR A 94 9.217 3.390 2.242 1.00 0.71 C ATOM 1345 C THR A 94 8.390 4.121 1.182 1.00 0.71 C ATOM 1346 O THR A 94 8.944 4.678 0.235 1.00 1.02 O ATOM 1347 CB THR A 94 9.156 4.049 3.621 1.00 0.78 C ATOM 1348 OG1 THR A 94 9.818 5.297 3.440 1.00 0.81 O ATOM 1349 CG2 THR A 94 10.013 3.320 4.657 1.00 0.90 C ATOM 0 H THR A 94 11.047 4.223 1.653 1.00 0.69 H new ATOM 0 HA THR A 94 8.778 2.395 2.321 1.00 0.71 H new ATOM 0 HB THR A 94 8.121 4.079 3.962 1.00 0.78 H new ATOM 0 HG1 THR A 94 9.822 5.791 4.286 1.00 0.81 H new ATOM 0 HG21 THR A 94 9.934 3.829 5.618 1.00 0.90 H new ATOM 0 HG22 THR A 94 9.663 2.293 4.761 1.00 0.90 H new ATOM 0 HG23 THR A 94 11.053 3.318 4.332 1.00 0.90 H new ATOM 1357 N GLY A 95 7.080 4.095 1.377 1.00 0.53 N ATOM 1358 CA GLY A 95 6.173 4.749 0.450 1.00 0.51 C ATOM 1359 C GLY A 95 4.732 4.693 0.962 1.00 0.45 C ATOM 1360 O GLY A 95 4.398 3.854 1.795 1.00 0.51 O ATOM 0 H GLY A 95 6.625 3.631 2.163 1.00 0.53 H new ATOM 0 HA2 GLY A 95 6.474 5.788 0.313 1.00 0.51 H new ATOM 0 HA3 GLY A 95 6.235 4.268 -0.526 1.00 0.51 H new ATOM 1364 N SER A 96 3.917 5.599 0.441 1.00 0.43 N ATOM 1365 CA SER A 96 2.521 5.664 0.834 1.00 0.44 C ATOM 1366 C SER A 96 1.651 6.017 -0.374 1.00 0.41 C ATOM 1367 O SER A 96 2.128 6.630 -1.327 1.00 0.49 O ATOM 1368 CB SER A 96 2.311 6.685 1.955 1.00 0.56 C ATOM 1369 OG SER A 96 3.475 6.838 2.763 1.00 0.76 O ATOM 0 H SER A 96 4.198 6.294 -0.250 1.00 0.43 H new ATOM 0 HA SER A 96 2.227 4.684 1.211 1.00 0.44 H new ATOM 0 HB2 SER A 96 2.041 7.648 1.522 1.00 0.56 H new ATOM 0 HB3 SER A 96 1.475 6.371 2.580 1.00 0.56 H new ATOM 0 HG SER A 96 3.301 7.499 3.466 1.00 0.76 H new ATOM 1375 N VAL A 97 0.392 5.613 -0.294 1.00 0.43 N ATOM 1376 CA VAL A 97 -0.548 5.879 -1.371 1.00 0.40 C ATOM 1377 C VAL A 97 -1.918 6.211 -0.775 1.00 0.41 C ATOM 1378 O VAL A 97 -2.610 5.329 -0.270 1.00 0.44 O ATOM 1379 CB VAL A 97 -0.587 4.693 -2.335 1.00 0.41 C ATOM 1380 CG1 VAL A 97 -1.326 5.059 -3.625 1.00 0.44 C ATOM 1381 CG2 VAL A 97 0.824 4.184 -2.637 1.00 0.52 C ATOM 0 H VAL A 97 0.001 5.104 0.499 1.00 0.43 H new ATOM 0 HA VAL A 97 -0.228 6.743 -1.953 1.00 0.40 H new ATOM 0 HB VAL A 97 -1.137 3.886 -1.851 1.00 0.41 H new ATOM 0 HG11 VAL A 97 -1.339 4.198 -4.293 1.00 0.44 H new ATOM 0 HG12 VAL A 97 -2.349 5.350 -3.388 1.00 0.44 H new ATOM 0 HG13 VAL A 97 -0.816 5.889 -4.113 1.00 0.44 H new ATOM 0 HG21 VAL A 97 0.767 3.340 -3.325 1.00 0.52 H new ATOM 0 HG22 VAL A 97 1.410 4.983 -3.091 1.00 0.52 H new ATOM 0 HG23 VAL A 97 1.302 3.865 -1.711 1.00 0.52 H new ATOM 1391 N THR A 98 -2.268 7.487 -0.854 1.00 0.39 N ATOM 1392 CA THR A 98 -3.543 7.946 -0.329 1.00 0.40 C ATOM 1393 C THR A 98 -4.623 7.868 -1.410 1.00 0.38 C ATOM 1394 O THR A 98 -4.381 8.224 -2.562 1.00 0.39 O ATOM 1395 CB THR A 98 -3.343 9.356 0.230 1.00 0.44 C ATOM 1396 OG1 THR A 98 -4.515 9.592 1.004 1.00 0.47 O ATOM 1397 CG2 THR A 98 -3.393 10.431 -0.858 1.00 0.44 C ATOM 0 H THR A 98 -1.691 8.216 -1.273 1.00 0.39 H new ATOM 0 HA THR A 98 -3.892 7.306 0.481 1.00 0.40 H new ATOM 0 HB THR A 98 -2.385 9.408 0.748 1.00 0.44 H new ATOM 0 HG1 THR A 98 -4.838 8.744 1.375 1.00 0.47 H new ATOM 0 HG21 THR A 98 -3.246 11.412 -0.407 1.00 0.44 H new ATOM 0 HG22 THR A 98 -2.606 10.246 -1.589 1.00 0.44 H new ATOM 0 HG23 THR A 98 -4.363 10.402 -1.354 1.00 0.44 H new ATOM 1405 N PHE A 99 -5.794 7.402 -0.999 1.00 0.37 N ATOM 1406 CA PHE A 99 -6.912 7.273 -1.916 1.00 0.36 C ATOM 1407 C PHE A 99 -8.244 7.468 -1.189 1.00 0.37 C ATOM 1408 O PHE A 99 -8.378 7.101 -0.023 1.00 0.39 O ATOM 1409 CB PHE A 99 -6.860 5.855 -2.488 1.00 0.34 C ATOM 1410 CG PHE A 99 -7.276 4.768 -1.496 1.00 0.33 C ATOM 1411 CD1 PHE A 99 -8.575 4.661 -1.109 1.00 1.74 C ATOM 1412 CD2 PHE A 99 -6.345 3.908 -1.000 1.00 1.75 C ATOM 1413 CE1 PHE A 99 -8.960 3.652 -0.187 1.00 1.74 C ATOM 1414 CE2 PHE A 99 -6.731 2.899 -0.079 1.00 1.75 C ATOM 1415 CZ PHE A 99 -8.031 2.792 0.309 1.00 0.34 C ATOM 0 H PHE A 99 -5.992 7.109 -0.042 1.00 0.37 H new ATOM 0 HA PHE A 99 -6.841 8.030 -2.697 1.00 0.36 H new ATOM 0 HB2 PHE A 99 -7.510 5.803 -3.362 1.00 0.34 H new ATOM 0 HB3 PHE A 99 -5.846 5.650 -2.832 1.00 0.34 H new ATOM 0 HD1 PHE A 99 -9.314 5.343 -1.503 1.00 1.74 H new ATOM 0 HD2 PHE A 99 -5.313 3.993 -1.307 1.00 1.75 H new ATOM 0 HE1 PHE A 99 -9.992 3.568 0.121 1.00 1.74 H new ATOM 0 HE2 PHE A 99 -5.993 2.216 0.314 1.00 1.75 H new ATOM 0 HZ PHE A 99 -8.324 2.025 1.010 1.00 0.34 H new ATOM 1425 N LYS A 100 -9.195 8.046 -1.908 1.00 0.40 N ATOM 1426 CA LYS A 100 -10.511 8.294 -1.346 1.00 0.42 C ATOM 1427 C LYS A 100 -11.491 7.238 -1.863 1.00 0.40 C ATOM 1428 O LYS A 100 -11.218 6.569 -2.858 1.00 0.41 O ATOM 1429 CB LYS A 100 -10.953 9.732 -1.627 1.00 0.51 C ATOM 1430 CG LYS A 100 -10.111 10.730 -0.828 1.00 0.57 C ATOM 1431 CD LYS A 100 -10.920 11.985 -0.493 1.00 1.32 C ATOM 1432 CE LYS A 100 -11.107 12.863 -1.732 1.00 2.02 C ATOM 1433 NZ LYS A 100 -11.844 14.099 -1.385 1.00 2.62 N ATOM 0 H LYS A 100 -9.080 8.350 -2.875 1.00 0.40 H new ATOM 0 HA LYS A 100 -10.484 8.200 -0.260 1.00 0.42 H new ATOM 0 HB2 LYS A 100 -10.860 9.943 -2.692 1.00 0.51 H new ATOM 0 HB3 LYS A 100 -12.005 9.850 -1.369 1.00 0.51 H new ATOM 0 HG2 LYS A 100 -9.762 10.262 0.092 1.00 0.57 H new ATOM 0 HG3 LYS A 100 -9.226 11.006 -1.401 1.00 0.57 H new ATOM 0 HD2 LYS A 100 -11.894 11.699 -0.095 1.00 1.32 H new ATOM 0 HD3 LYS A 100 -10.411 12.553 0.286 1.00 1.32 H new ATOM 0 HE2 LYS A 100 -10.135 13.118 -2.154 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -11.652 12.311 -2.498 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -11.962 14.683 -2.237 1.00 2.62 H new ATOM 0 HZ2 LYS A 100 -12.779 13.850 -1.003 1.00 2.62 H new ATOM 0 HZ3 LYS A 100 -11.309 14.633 -0.670 1.00 2.62 H new ATOM 1447 N VAL A 101 -12.610 7.123 -1.165 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.631 6.160 -1.541 1.00 0.41 C ATOM 1449 C VAL A 101 -15.012 6.802 -1.391 1.00 0.46 C ATOM 1450 O VAL A 101 -15.390 7.220 -0.299 1.00 0.48 O ATOM 1451 CB VAL A 101 -13.474 4.881 -0.717 1.00 0.39 C ATOM 1452 CG1 VAL A 101 -14.517 3.836 -1.121 1.00 0.47 C ATOM 1453 CG2 VAL A 101 -12.057 4.318 -0.844 1.00 0.43 C ATOM 0 H VAL A 101 -12.833 7.681 -0.341 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.518 5.873 -2.586 1.00 0.41 H new ATOM 0 HB VAL A 101 -13.642 5.134 0.330 1.00 0.39 H new ATOM 0 HG11 VAL A 101 -14.383 2.937 -0.520 1.00 0.47 H new ATOM 0 HG12 VAL A 101 -15.517 4.237 -0.956 1.00 0.47 H new ATOM 0 HG13 VAL A 101 -14.395 3.589 -2.176 1.00 0.47 H new ATOM 0 HG21 VAL A 101 -11.972 3.409 -0.249 1.00 0.43 H new ATOM 0 HG22 VAL A 101 -11.849 4.088 -1.889 1.00 0.43 H new ATOM 0 HG23 VAL A 101 -11.339 5.055 -0.485 1.00 0.43 H new ATOM 1463 N LYS A 102 -15.726 6.860 -2.506 1.00 0.51 N ATOM 1464 CA LYS A 102 -17.057 7.443 -2.512 1.00 0.58 C ATOM 1465 C LYS A 102 -18.083 6.360 -2.848 1.00 0.70 C ATOM 1466 O LYS A 102 -19.277 6.639 -2.945 1.00 1.30 O ATOM 1467 CB LYS A 102 -17.108 8.651 -3.450 1.00 0.68 C ATOM 1468 CG LYS A 102 -15.968 9.626 -3.151 1.00 0.69 C ATOM 1469 CD LYS A 102 -16.476 10.842 -2.374 1.00 1.04 C ATOM 1470 CE LYS A 102 -16.070 12.144 -3.067 1.00 1.65 C ATOM 1471 NZ LYS A 102 -15.778 13.195 -2.066 1.00 2.53 N ATOM 1472 OXT LYS A 102 -17.720 5.213 -3.099 1.00 1.15 O ATOM 0 H LYS A 102 -15.408 6.513 -3.411 1.00 0.51 H new ATOM 0 HA LYS A 102 -17.310 7.825 -1.523 1.00 0.58 H new ATOM 0 HB2 LYS A 102 -17.042 8.315 -4.485 1.00 0.68 H new ATOM 0 HB3 LYS A 102 -18.065 9.161 -3.341 1.00 0.68 H new ATOM 0 HG2 LYS A 102 -15.193 9.120 -2.575 1.00 0.69 H new ATOM 0 HG3 LYS A 102 -15.509 9.952 -4.084 1.00 0.69 H new ATOM 0 HD2 LYS A 102 -17.562 10.795 -2.287 1.00 1.04 H new ATOM 0 HD3 LYS A 102 -16.074 10.824 -1.361 1.00 1.04 H new ATOM 0 HE2 LYS A 102 -15.192 11.973 -3.690 1.00 1.65 H new ATOM 0 HE3 LYS A 102 -16.870 12.476 -3.728 1.00 1.65 H new ATOM 0 HZ1 LYS A 102 -15.504 14.072 -2.553 1.00 2.53 H new ATOM 0 HZ2 LYS A 102 -16.625 13.370 -1.489 1.00 2.53 H new ATOM 0 HZ3 LYS A 102 -14.999 12.883 -1.452 1.00 2.53 H new