USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 15:sc= -0.0448 USER MOD Set 1.2: A 79 TYR OH : rot 11:sc= 1.98 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.189 K(o=0.091,f=-2.8!) USER MOD Set 2.2: A 65 THR OG1 : rot -73:sc= 0.28 USER MOD Single : A 1 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.9!) USER MOD Single : A 1 HIS N :NH3+ -141:sc= 0.0397 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 120:sc= -0.814 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.101 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 28 ASN :FLIP amide:sc= -2.68! F(o=-5.3,f=-2.7!) USER MOD Single : A 31 THR OG1 : rot -42:sc= 1.04 USER MOD Single : A 32 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.6!) USER MOD Single : A 34 SER OG : rot 64:sc= -0.656 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -160:sc= -0.0254 (180deg=-0.184) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.173 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 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 146:sc= -2.52 (180deg=-5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0983 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 140:sc= -0.925 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 64:sc= 0.47 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.295 K(o=-0.3,f=-1.1) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -122:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 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 1 N HIS A 1 15.086 5.493 -7.689 1.00 7.14 N ATOM 2 CA HIS A 1 14.659 6.634 -6.896 1.00 5.81 C ATOM 3 C HIS A 1 14.258 6.165 -5.496 1.00 4.28 C ATOM 4 O HIS A 1 14.286 4.970 -5.206 1.00 4.56 O ATOM 5 CB HIS A 1 13.543 7.402 -7.606 1.00 6.69 C ATOM 6 CG HIS A 1 13.879 8.844 -7.900 1.00 7.54 C ATOM 7 ND1 HIS A 1 12.940 9.859 -7.847 1.00 8.43 N ATOM 8 CD2 HIS A 1 15.061 9.431 -8.248 1.00 8.18 C ATOM 9 CE1 HIS A 1 13.539 11.000 -8.152 1.00 9.32 C ATOM 10 NE2 HIS A 1 14.854 10.732 -8.400 1.00 9.13 N ATOM 0 H1 HIS A 1 15.900 5.764 -8.277 1.00 7.14 H new ATOM 0 H2 HIS A 1 15.359 4.714 -7.057 1.00 7.14 H new ATOM 0 H3 HIS A 1 14.304 5.184 -8.302 1.00 7.14 H new ATOM 0 HA HIS A 1 15.487 7.333 -6.784 1.00 5.81 H new ATOM 0 HB2 HIS A 1 13.307 6.897 -8.543 1.00 6.69 H new ATOM 0 HB3 HIS A 1 12.644 7.368 -6.990 1.00 6.69 H new ATOM 0 HD2 HIS A 1 16.005 8.922 -8.378 1.00 8.18 H new ATOM 0 HE1 HIS A 1 13.070 11.972 -8.197 1.00 9.32 H new ATOM 0 HE2 HIS A 1 15.561 11.419 -8.660 1.00 9.13 H new ATOM 20 N PRO A 2 13.886 7.157 -4.643 1.00 3.55 N ATOM 21 CA PRO A 2 13.481 6.858 -3.280 1.00 3.02 C ATOM 22 C PRO A 2 12.076 6.254 -3.246 1.00 2.47 C ATOM 23 O PRO A 2 11.556 5.942 -2.176 1.00 2.60 O ATOM 24 CB PRO A 2 13.576 8.183 -2.542 1.00 4.10 C ATOM 25 CG PRO A 2 13.581 9.259 -3.615 1.00 4.84 C ATOM 26 CD PRO A 2 13.843 8.583 -4.951 1.00 4.59 C ATOM 0 HA PRO A 2 14.115 6.108 -2.807 1.00 3.02 H new ATOM 0 HB2 PRO A 2 12.733 8.313 -1.863 1.00 4.10 H new ATOM 0 HB3 PRO A 2 14.482 8.230 -1.938 1.00 4.10 H new ATOM 0 HG2 PRO A 2 12.626 9.784 -3.634 1.00 4.84 H new ATOM 0 HG3 PRO A 2 14.350 10.003 -3.406 1.00 4.84 H new ATOM 0 HD2 PRO A 2 13.056 8.809 -5.670 1.00 4.59 H new ATOM 0 HD3 PRO A 2 14.782 8.922 -5.389 1.00 4.59 H new ATOM 34 N LYS A 3 11.501 6.107 -4.430 1.00 2.11 N ATOM 35 CA LYS A 3 10.165 5.546 -4.550 1.00 1.70 C ATOM 36 C LYS A 3 10.220 4.295 -5.429 1.00 1.21 C ATOM 37 O LYS A 3 11.119 4.153 -6.258 1.00 1.34 O ATOM 38 CB LYS A 3 9.182 6.605 -5.048 1.00 2.05 C ATOM 39 CG LYS A 3 9.540 7.066 -6.463 1.00 2.47 C ATOM 40 CD LYS A 3 8.779 8.340 -6.835 1.00 2.87 C ATOM 41 CE LYS A 3 7.728 8.056 -7.910 1.00 3.89 C ATOM 42 NZ LYS A 3 8.040 8.803 -9.149 1.00 4.68 N ATOM 0 H LYS A 3 11.935 6.367 -5.316 1.00 2.11 H new ATOM 0 HA LYS A 3 9.793 5.234 -3.574 1.00 1.70 H new ATOM 0 HB2 LYS A 3 8.170 6.199 -5.039 1.00 2.05 H new ATOM 0 HB3 LYS A 3 9.189 7.459 -4.371 1.00 2.05 H new ATOM 0 HG2 LYS A 3 10.613 7.247 -6.530 1.00 2.47 H new ATOM 0 HG3 LYS A 3 9.305 6.276 -7.177 1.00 2.47 H new ATOM 0 HD2 LYS A 3 8.296 8.751 -5.949 1.00 2.87 H new ATOM 0 HD3 LYS A 3 9.479 9.094 -7.196 1.00 2.87 H new ATOM 0 HE2 LYS A 3 7.695 6.987 -8.121 1.00 3.89 H new ATOM 0 HE3 LYS A 3 6.741 8.340 -7.546 1.00 3.89 H new ATOM 0 HZ1 LYS A 3 7.317 8.599 -9.869 1.00 4.68 H new ATOM 0 HZ2 LYS A 3 8.049 9.823 -8.946 1.00 4.68 H new ATOM 0 HZ3 LYS A 3 8.973 8.512 -9.504 1.00 4.68 H new ATOM 56 N LEU A 4 9.246 3.420 -5.220 1.00 0.87 N ATOM 57 CA LEU A 4 9.172 2.187 -5.984 1.00 0.63 C ATOM 58 C LEU A 4 9.091 2.519 -7.475 1.00 0.60 C ATOM 59 O LEU A 4 8.733 3.636 -7.848 1.00 0.66 O ATOM 60 CB LEU A 4 8.017 1.317 -5.485 1.00 0.82 C ATOM 61 CG LEU A 4 6.655 1.569 -6.137 1.00 0.58 C ATOM 62 CD1 LEU A 4 6.376 3.068 -6.259 1.00 0.74 C ATOM 63 CD2 LEU A 4 6.554 0.856 -7.488 1.00 0.70 C ATOM 0 H LEU A 4 8.502 3.541 -4.533 1.00 0.87 H new ATOM 0 HA LEU A 4 10.075 1.594 -5.838 1.00 0.63 H new ATOM 0 HB2 LEU A 4 8.283 0.271 -5.639 1.00 0.82 H new ATOM 0 HB3 LEU A 4 7.916 1.465 -4.410 1.00 0.82 H new ATOM 0 HG LEU A 4 5.884 1.148 -5.492 1.00 0.58 H new ATOM 0 HD11 LEU A 4 5.403 3.220 -6.725 1.00 0.74 H new ATOM 0 HD12 LEU A 4 6.378 3.520 -5.267 1.00 0.74 H new ATOM 0 HD13 LEU A 4 7.148 3.533 -6.872 1.00 0.74 H new ATOM 0 HD21 LEU A 4 5.577 1.051 -7.930 1.00 0.70 H new ATOM 0 HD22 LEU A 4 7.334 1.226 -8.154 1.00 0.70 H new ATOM 0 HD23 LEU A 4 6.679 -0.217 -7.343 1.00 0.70 H new ATOM 75 N VAL A 5 9.429 1.530 -8.289 1.00 0.58 N ATOM 76 CA VAL A 5 9.399 1.703 -9.731 1.00 0.61 C ATOM 77 C VAL A 5 7.990 2.112 -10.162 1.00 0.56 C ATOM 78 O VAL A 5 7.708 3.297 -10.334 1.00 0.69 O ATOM 79 CB VAL A 5 9.891 0.428 -10.422 1.00 0.63 C ATOM 80 CG1 VAL A 5 9.765 0.546 -11.942 1.00 0.75 C ATOM 81 CG2 VAL A 5 11.328 0.103 -10.013 1.00 0.73 C ATOM 0 H VAL A 5 9.725 0.605 -7.977 1.00 0.58 H new ATOM 0 HA VAL A 5 10.076 2.502 -10.034 1.00 0.61 H new ATOM 0 HB VAL A 5 9.257 -0.397 -10.097 1.00 0.63 H new ATOM 0 HG11 VAL A 5 10.121 -0.372 -12.409 1.00 0.75 H new ATOM 0 HG12 VAL A 5 8.721 0.708 -12.209 1.00 0.75 H new ATOM 0 HG13 VAL A 5 10.364 1.387 -12.293 1.00 0.75 H new ATOM 0 HG21 VAL A 5 11.653 -0.807 -10.518 1.00 0.73 H new ATOM 0 HG22 VAL A 5 11.982 0.928 -10.295 1.00 0.73 H new ATOM 0 HG23 VAL A 5 11.375 -0.044 -8.934 1.00 0.73 H new ATOM 91 N SER A 6 7.140 1.107 -10.326 1.00 0.46 N ATOM 92 CA SER A 6 5.768 1.348 -10.734 1.00 0.42 C ATOM 93 C SER A 6 4.813 0.520 -9.871 1.00 0.39 C ATOM 94 O SER A 6 5.168 -0.564 -9.412 1.00 0.40 O ATOM 95 CB SER A 6 5.567 1.017 -12.215 1.00 0.42 C ATOM 96 OG SER A 6 6.704 1.368 -12.999 1.00 0.54 O ATOM 0 H SER A 6 7.377 0.125 -10.183 1.00 0.46 H new ATOM 0 HA SER A 6 5.550 2.407 -10.594 1.00 0.42 H new ATOM 0 HB2 SER A 6 5.366 -0.049 -12.324 1.00 0.42 H new ATOM 0 HB3 SER A 6 4.691 1.547 -12.589 1.00 0.42 H new ATOM 0 HG SER A 6 7.060 0.566 -13.436 1.00 0.54 H new ATOM 102 N SER A 7 3.619 1.063 -9.679 1.00 0.36 N ATOM 103 CA SER A 7 2.612 0.388 -8.879 1.00 0.34 C ATOM 104 C SER A 7 1.218 0.893 -9.259 1.00 0.33 C ATOM 105 O SER A 7 1.086 1.919 -9.923 1.00 0.34 O ATOM 106 CB SER A 7 2.862 0.597 -7.384 1.00 0.37 C ATOM 107 OG SER A 7 2.858 1.978 -7.030 1.00 0.41 O ATOM 0 H SER A 7 3.327 1.962 -10.063 1.00 0.36 H new ATOM 0 HA SER A 7 2.674 -0.681 -9.083 1.00 0.34 H new ATOM 0 HB2 SER A 7 2.096 0.074 -6.812 1.00 0.37 H new ATOM 0 HB3 SER A 7 3.821 0.156 -7.111 1.00 0.37 H new ATOM 0 HG SER A 7 3.019 2.069 -6.068 1.00 0.41 H new ATOM 113 N THR A 8 0.213 0.147 -8.821 1.00 0.32 N ATOM 114 CA THR A 8 -1.165 0.507 -9.107 1.00 0.32 C ATOM 115 C THR A 8 -2.039 0.294 -7.870 1.00 0.32 C ATOM 116 O THR A 8 -2.998 -0.475 -7.908 1.00 0.32 O ATOM 117 CB THR A 8 -1.623 -0.304 -10.321 1.00 0.34 C ATOM 118 OG1 THR A 8 -0.701 0.057 -11.347 1.00 0.50 O ATOM 119 CG2 THR A 8 -2.978 0.162 -10.859 1.00 0.52 C ATOM 0 H THR A 8 0.326 -0.704 -8.271 1.00 0.32 H new ATOM 0 HA THR A 8 -1.255 1.565 -9.352 1.00 0.32 H new ATOM 0 HB THR A 8 -1.682 -1.359 -10.052 1.00 0.34 H new ATOM 0 HG1 THR A 8 -0.923 -0.425 -12.171 1.00 0.50 H new ATOM 0 HG21 THR A 8 -3.256 -0.446 -11.720 1.00 0.52 H new ATOM 0 HG22 THR A 8 -3.734 0.057 -10.081 1.00 0.52 H new ATOM 0 HG23 THR A 8 -2.910 1.207 -11.160 1.00 0.52 H new ATOM 127 N PRO A 9 -1.668 1.008 -6.773 1.00 0.33 N ATOM 128 CA PRO A 9 -2.406 0.904 -5.527 1.00 0.34 C ATOM 129 C PRO A 9 -3.733 1.661 -5.612 1.00 0.35 C ATOM 130 O PRO A 9 -4.792 1.052 -5.758 1.00 0.43 O ATOM 131 CB PRO A 9 -1.471 1.463 -4.467 1.00 0.37 C ATOM 132 CG PRO A 9 -0.433 2.281 -5.217 1.00 0.37 C ATOM 133 CD PRO A 9 -0.537 1.928 -6.692 1.00 0.35 C ATOM 0 HA PRO A 9 -2.687 -0.122 -5.289 1.00 0.34 H new ATOM 0 HB2 PRO A 9 -2.015 2.082 -3.753 1.00 0.37 H new ATOM 0 HB3 PRO A 9 -1.000 0.661 -3.899 1.00 0.37 H new ATOM 0 HG2 PRO A 9 -0.606 3.347 -5.067 1.00 0.37 H new ATOM 0 HG3 PRO A 9 0.567 2.064 -4.842 1.00 0.37 H new ATOM 0 HD2 PRO A 9 -0.704 2.816 -7.301 1.00 0.35 H new ATOM 0 HD3 PRO A 9 0.380 1.462 -7.053 1.00 0.35 H new ATOM 141 N ALA A 10 -3.633 2.979 -5.517 1.00 0.40 N ATOM 142 CA ALA A 10 -4.812 3.825 -5.581 1.00 0.44 C ATOM 143 C ALA A 10 -4.385 5.293 -5.507 1.00 0.44 C ATOM 144 O ALA A 10 -4.986 6.081 -4.778 1.00 0.45 O ATOM 145 CB ALA A 10 -5.778 3.442 -4.460 1.00 0.45 C ATOM 0 H ALA A 10 -2.754 3.481 -5.396 1.00 0.40 H new ATOM 0 HA ALA A 10 -5.337 3.681 -6.525 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -6.662 4.077 -4.509 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -6.074 2.399 -4.575 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -5.288 3.576 -3.496 1.00 0.45 H new ATOM 151 N GLU A 11 -3.351 5.615 -6.270 1.00 0.46 N ATOM 152 CA GLU A 11 -2.837 6.974 -6.299 1.00 0.51 C ATOM 153 C GLU A 11 -3.991 7.978 -6.315 1.00 0.55 C ATOM 154 O GLU A 11 -4.680 8.123 -7.324 1.00 0.62 O ATOM 155 CB GLU A 11 -1.912 7.184 -7.499 1.00 0.61 C ATOM 156 CG GLU A 11 -0.470 7.419 -7.045 1.00 0.70 C ATOM 157 CD GLU A 11 0.238 8.421 -7.959 1.00 2.00 C ATOM 158 OE1 GLU A 11 0.164 9.636 -7.722 1.00 3.63 O ATOM 159 OE2 GLU A 11 0.882 7.898 -8.947 1.00 2.20 O ATOM 0 H GLU A 11 -2.855 4.958 -6.873 1.00 0.46 H new ATOM 0 HA GLU A 11 -2.250 7.139 -5.395 1.00 0.51 H new ATOM 0 HB2 GLU A 11 -1.954 6.312 -8.152 1.00 0.61 H new ATOM 0 HB3 GLU A 11 -2.257 8.037 -8.084 1.00 0.61 H new ATOM 0 HG2 GLU A 11 -0.464 7.790 -6.020 1.00 0.70 H new ATOM 0 HG3 GLU A 11 0.073 6.474 -7.046 1.00 0.70 H new ATOM 166 N GLY A 12 -4.168 8.646 -5.185 1.00 0.52 N ATOM 167 CA GLY A 12 -5.228 9.632 -5.056 1.00 0.57 C ATOM 168 C GLY A 12 -6.522 9.133 -5.699 1.00 0.66 C ATOM 169 O GLY A 12 -7.270 9.915 -6.285 1.00 0.87 O ATOM 0 H GLY A 12 -3.595 8.524 -4.350 1.00 0.52 H new ATOM 0 HA2 GLY A 12 -5.402 9.849 -4.002 1.00 0.57 H new ATOM 0 HA3 GLY A 12 -4.920 10.566 -5.527 1.00 0.57 H new ATOM 173 N SER A 13 -6.749 7.834 -5.567 1.00 0.58 N ATOM 174 CA SER A 13 -7.940 7.222 -6.129 1.00 0.70 C ATOM 175 C SER A 13 -9.176 7.662 -5.342 1.00 0.62 C ATOM 176 O SER A 13 -9.490 7.087 -4.300 1.00 0.64 O ATOM 177 CB SER A 13 -7.827 5.696 -6.130 1.00 0.91 C ATOM 178 OG SER A 13 -7.591 5.178 -7.436 1.00 1.23 O ATOM 0 H SER A 13 -6.128 7.189 -5.079 1.00 0.58 H new ATOM 0 HA SER A 13 -8.039 7.553 -7.163 1.00 0.70 H new ATOM 0 HB2 SER A 13 -7.016 5.392 -5.468 1.00 0.91 H new ATOM 0 HB3 SER A 13 -8.744 5.265 -5.729 1.00 0.91 H new ATOM 0 HG SER A 13 -7.523 4.201 -7.393 1.00 1.23 H new ATOM 184 N GLU A 14 -9.843 8.678 -5.868 1.00 0.62 N ATOM 185 CA GLU A 14 -11.038 9.202 -5.227 1.00 0.68 C ATOM 186 C GLU A 14 -12.275 8.877 -6.065 1.00 0.80 C ATOM 187 O GLU A 14 -12.335 9.214 -7.248 1.00 0.91 O ATOM 188 CB GLU A 14 -10.916 10.708 -4.990 1.00 0.85 C ATOM 189 CG GLU A 14 -9.574 11.054 -4.341 1.00 0.91 C ATOM 190 CD GLU A 14 -9.193 12.511 -4.612 1.00 1.17 C ATOM 191 OE1 GLU A 14 -9.529 13.051 -5.676 1.00 1.26 O ATOM 192 OE2 GLU A 14 -8.524 13.084 -3.670 1.00 2.24 O ATOM 0 H GLU A 14 -9.579 9.153 -6.731 1.00 0.62 H new ATOM 0 HA GLU A 14 -11.146 8.722 -4.254 1.00 0.68 H new ATOM 0 HB2 GLU A 14 -11.013 11.238 -5.938 1.00 0.85 H new ATOM 0 HB3 GLU A 14 -11.731 11.046 -4.351 1.00 0.85 H new ATOM 0 HG2 GLU A 14 -9.631 10.883 -3.266 1.00 0.91 H new ATOM 0 HG3 GLU A 14 -8.798 10.394 -4.728 1.00 0.91 H new ATOM 199 N GLY A 15 -13.234 8.228 -5.421 1.00 0.85 N ATOM 200 CA GLY A 15 -14.467 7.854 -6.092 1.00 1.06 C ATOM 201 C GLY A 15 -14.968 6.494 -5.602 1.00 0.67 C ATOM 202 O GLY A 15 -16.162 6.318 -5.362 1.00 0.60 O ATOM 0 H GLY A 15 -13.182 7.951 -4.441 1.00 0.85 H new ATOM 0 HA2 GLY A 15 -15.228 8.613 -5.911 1.00 1.06 H new ATOM 0 HA3 GLY A 15 -14.303 7.818 -7.169 1.00 1.06 H new ATOM 206 N ALA A 16 -14.031 5.567 -5.468 1.00 0.77 N ATOM 207 CA ALA A 16 -14.362 4.229 -5.010 1.00 0.79 C ATOM 208 C ALA A 16 -13.076 3.485 -4.647 1.00 1.14 C ATOM 209 O ALA A 16 -11.988 3.879 -5.065 1.00 1.80 O ATOM 210 CB ALA A 16 -15.169 3.505 -6.091 1.00 1.10 C ATOM 0 H ALA A 16 -13.042 5.717 -5.669 1.00 0.77 H new ATOM 0 HA ALA A 16 -14.981 4.273 -4.114 1.00 0.79 H new ATOM 0 HB1 ALA A 16 -15.418 2.501 -5.748 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -16.087 4.058 -6.291 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -14.578 3.440 -7.004 1.00 1.10 H new ATOM 216 N ALA A 17 -13.242 2.424 -3.873 1.00 0.87 N ATOM 217 CA ALA A 17 -12.107 1.621 -3.448 1.00 1.17 C ATOM 218 C ALA A 17 -11.764 0.610 -4.544 1.00 0.98 C ATOM 219 O ALA A 17 -12.654 -0.016 -5.116 1.00 0.89 O ATOM 220 CB ALA A 17 -12.429 0.948 -2.113 1.00 1.47 C ATOM 0 H ALA A 17 -14.146 2.101 -3.528 1.00 0.87 H new ATOM 0 HA ALA A 17 -11.229 2.249 -3.293 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -11.578 0.346 -1.794 1.00 1.47 H new ATOM 0 HB2 ALA A 17 -12.636 1.710 -1.362 1.00 1.47 H new ATOM 0 HB3 ALA A 17 -13.303 0.307 -2.230 1.00 1.47 H new ATOM 226 N PRO A 18 -10.437 0.480 -4.810 1.00 0.99 N ATOM 227 CA PRO A 18 -9.965 -0.445 -5.827 1.00 0.88 C ATOM 228 C PRO A 18 -10.043 -1.890 -5.333 1.00 0.79 C ATOM 229 O PRO A 18 -9.968 -2.144 -4.132 1.00 1.24 O ATOM 230 CB PRO A 18 -8.545 0.002 -6.136 1.00 1.01 C ATOM 231 CG PRO A 18 -8.112 0.860 -4.959 1.00 1.16 C ATOM 232 CD PRO A 18 -9.354 1.206 -4.153 1.00 1.16 C ATOM 0 HA PRO A 18 -10.579 -0.429 -6.728 1.00 0.88 H new ATOM 0 HB2 PRO A 18 -7.884 -0.856 -6.258 1.00 1.01 H new ATOM 0 HB3 PRO A 18 -8.508 0.568 -7.067 1.00 1.01 H new ATOM 0 HG2 PRO A 18 -7.392 0.324 -4.340 1.00 1.16 H new ATOM 0 HG3 PRO A 18 -7.619 1.767 -5.309 1.00 1.16 H new ATOM 0 HD2 PRO A 18 -9.248 0.901 -3.112 1.00 1.16 H new ATOM 0 HD3 PRO A 18 -9.540 2.280 -4.154 1.00 1.16 H new ATOM 240 N ALA A 19 -10.194 -2.800 -6.284 1.00 0.58 N ATOM 241 CA ALA A 19 -10.283 -4.213 -5.961 1.00 0.56 C ATOM 242 C ALA A 19 -9.088 -4.610 -5.093 1.00 0.48 C ATOM 243 O ALA A 19 -9.262 -5.149 -4.000 1.00 0.48 O ATOM 244 CB ALA A 19 -10.362 -5.029 -7.253 1.00 0.68 C ATOM 0 H ALA A 19 -10.257 -2.586 -7.279 1.00 0.58 H new ATOM 0 HA ALA A 19 -11.188 -4.419 -5.390 1.00 0.56 H new ATOM 0 HB1 ALA A 19 -10.429 -6.089 -7.010 1.00 0.68 H new ATOM 0 HB2 ALA A 19 -11.244 -4.730 -7.819 1.00 0.68 H new ATOM 0 HB3 ALA A 19 -9.469 -4.850 -7.852 1.00 0.68 H new ATOM 250 N LYS A 20 -7.902 -4.328 -5.610 1.00 0.44 N ATOM 251 CA LYS A 20 -6.678 -4.649 -4.895 1.00 0.40 C ATOM 252 C LYS A 20 -5.560 -3.717 -5.365 1.00 0.38 C ATOM 253 O LYS A 20 -5.589 -3.224 -6.491 1.00 0.45 O ATOM 254 CB LYS A 20 -6.344 -6.135 -5.045 1.00 0.46 C ATOM 255 CG LYS A 20 -6.188 -6.516 -6.519 1.00 0.52 C ATOM 256 CD LYS A 20 -6.612 -7.966 -6.758 1.00 1.38 C ATOM 257 CE LYS A 20 -6.919 -8.211 -8.236 1.00 1.64 C ATOM 258 NZ LYS A 20 -7.684 -9.467 -8.406 1.00 2.63 N ATOM 0 H LYS A 20 -7.762 -3.881 -6.516 1.00 0.44 H new ATOM 0 HA LYS A 20 -6.806 -4.481 -3.826 1.00 0.40 H new ATOM 0 HB2 LYS A 20 -5.423 -6.360 -4.508 1.00 0.46 H new ATOM 0 HB3 LYS A 20 -7.132 -6.736 -4.592 1.00 0.46 H new ATOM 0 HG2 LYS A 20 -6.791 -5.850 -7.136 1.00 0.52 H new ATOM 0 HG3 LYS A 20 -5.151 -6.381 -6.825 1.00 0.52 H new ATOM 0 HD2 LYS A 20 -5.819 -8.639 -6.431 1.00 1.38 H new ATOM 0 HD3 LYS A 20 -7.492 -8.195 -6.157 1.00 1.38 H new ATOM 0 HE2 LYS A 20 -7.489 -7.374 -8.639 1.00 1.64 H new ATOM 0 HE3 LYS A 20 -5.989 -8.265 -8.802 1.00 1.64 H new ATOM 0 HZ1 LYS A 20 -7.884 -9.618 -9.415 1.00 2.63 H new ATOM 0 HZ2 LYS A 20 -7.127 -10.265 -8.040 1.00 2.63 H new ATOM 0 HZ3 LYS A 20 -8.580 -9.402 -7.882 1.00 2.63 H new ATOM 272 N ILE A 21 -4.600 -3.503 -4.477 1.00 0.37 N ATOM 273 CA ILE A 21 -3.474 -2.638 -4.786 1.00 0.36 C ATOM 274 C ILE A 21 -2.401 -3.448 -5.519 1.00 0.34 C ATOM 275 O ILE A 21 -2.175 -4.614 -5.203 1.00 0.35 O ATOM 276 CB ILE A 21 -2.964 -1.947 -3.519 1.00 0.38 C ATOM 277 CG1 ILE A 21 -3.743 -0.658 -3.247 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.457 -1.701 -3.597 1.00 0.40 C ATOM 279 CD1 ILE A 21 -4.546 -0.767 -1.949 1.00 0.45 C ATOM 0 H ILE A 21 -4.579 -3.914 -3.544 1.00 0.37 H new ATOM 0 HA ILE A 21 -3.783 -1.836 -5.456 1.00 0.36 H new ATOM 0 HB ILE A 21 -3.137 -2.613 -2.673 1.00 0.38 H new ATOM 0 HG12 ILE A 21 -3.052 0.182 -3.182 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.416 -0.453 -4.079 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -1.121 -1.209 -2.684 1.00 0.40 H new ATOM 0 HG22 ILE A 21 -0.938 -2.653 -3.708 1.00 0.40 H new ATOM 0 HG23 ILE A 21 -1.236 -1.065 -4.454 1.00 0.40 H new ATOM 0 HD11 ILE A 21 -5.090 0.162 -1.779 1.00 0.45 H new ATOM 0 HD12 ILE A 21 -5.253 -1.593 -2.027 1.00 0.45 H new ATOM 0 HD13 ILE A 21 -3.867 -0.948 -1.115 1.00 0.45 H new ATOM 291 N GLU A 22 -1.768 -2.795 -6.482 1.00 0.35 N ATOM 292 CA GLU A 22 -0.725 -3.440 -7.262 1.00 0.36 C ATOM 293 C GLU A 22 0.613 -2.728 -7.049 1.00 0.34 C ATOM 294 O GLU A 22 0.646 -1.526 -6.787 1.00 0.33 O ATOM 295 CB GLU A 22 -1.094 -3.479 -8.746 1.00 0.36 C ATOM 296 CG GLU A 22 -0.911 -4.886 -9.319 1.00 0.46 C ATOM 297 CD GLU A 22 -0.714 -4.838 -10.836 1.00 0.82 C ATOM 298 OE1 GLU A 22 0.331 -4.370 -11.311 1.00 1.74 O ATOM 299 OE2 GLU A 22 -1.695 -5.311 -11.528 1.00 1.64 O ATOM 0 H GLU A 22 -1.957 -1.826 -6.740 1.00 0.35 H new ATOM 0 HA GLU A 22 -0.626 -4.470 -6.919 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -2.129 -3.161 -8.876 1.00 0.36 H new ATOM 0 HB3 GLU A 22 -0.472 -2.774 -9.298 1.00 0.36 H new ATOM 0 HG2 GLU A 22 -0.050 -5.364 -8.852 1.00 0.46 H new ATOM 0 HG3 GLU A 22 -1.782 -5.496 -9.081 1.00 0.46 H new ATOM 306 N LEU A 23 1.683 -3.499 -7.170 1.00 0.37 N ATOM 307 CA LEU A 23 3.020 -2.958 -6.993 1.00 0.39 C ATOM 308 C LEU A 23 3.993 -3.707 -7.907 1.00 0.41 C ATOM 309 O LEU A 23 3.858 -4.912 -8.108 1.00 0.43 O ATOM 310 CB LEU A 23 3.418 -2.984 -5.517 1.00 0.44 C ATOM 311 CG LEU A 23 2.456 -2.292 -4.550 1.00 0.42 C ATOM 312 CD1 LEU A 23 2.601 -2.855 -3.135 1.00 0.49 C ATOM 313 CD2 LEU A 23 2.643 -0.774 -4.584 1.00 0.43 C ATOM 0 H LEU A 23 1.652 -4.495 -7.389 1.00 0.37 H new ATOM 0 HA LEU A 23 3.049 -1.909 -7.287 1.00 0.39 H new ATOM 0 HB2 LEU A 23 3.526 -4.024 -5.209 1.00 0.44 H new ATOM 0 HB3 LEU A 23 4.399 -2.519 -5.418 1.00 0.44 H new ATOM 0 HG LEU A 23 1.437 -2.499 -4.876 1.00 0.42 H new ATOM 0 HD11 LEU A 23 1.906 -2.346 -2.468 1.00 0.49 H new ATOM 0 HD12 LEU A 23 2.380 -3.922 -3.144 1.00 0.49 H new ATOM 0 HD13 LEU A 23 3.621 -2.699 -2.784 1.00 0.49 H new ATOM 0 HD21 LEU A 23 1.947 -0.306 -3.888 1.00 0.43 H new ATOM 0 HD22 LEU A 23 3.665 -0.527 -4.297 1.00 0.43 H new ATOM 0 HD23 LEU A 23 2.450 -0.406 -5.592 1.00 0.43 H new ATOM 325 N HIS A 24 4.953 -2.960 -8.434 1.00 0.42 N ATOM 326 CA HIS A 24 5.948 -3.539 -9.322 1.00 0.45 C ATOM 327 C HIS A 24 7.342 -3.062 -8.908 1.00 0.45 C ATOM 328 O HIS A 24 7.482 -2.013 -8.282 1.00 0.45 O ATOM 329 CB HIS A 24 5.622 -3.224 -10.782 1.00 0.46 C ATOM 330 CG HIS A 24 4.549 -4.104 -11.376 1.00 0.50 C ATOM 331 ND1 HIS A 24 4.728 -5.458 -11.599 1.00 0.60 N ATOM 332 CD2 HIS A 24 3.283 -3.810 -11.790 1.00 0.69 C ATOM 333 CE1 HIS A 24 3.614 -5.947 -12.124 1.00 0.59 C ATOM 334 NE2 HIS A 24 2.720 -4.923 -12.243 1.00 0.63 N ATOM 0 H HIS A 24 5.063 -1.960 -8.263 1.00 0.42 H new ATOM 0 HA HIS A 24 5.932 -4.625 -9.235 1.00 0.45 H new ATOM 0 HB2 HIS A 24 5.306 -2.183 -10.857 1.00 0.46 H new ATOM 0 HB3 HIS A 24 6.530 -3.325 -11.376 1.00 0.46 H new ATOM 0 HD2 HIS A 24 2.818 -2.836 -11.755 1.00 0.69 H new ATOM 0 HE1 HIS A 24 3.444 -6.975 -12.408 1.00 0.59 H new ATOM 0 HE2 HIS A 24 1.775 -5.000 -12.618 1.00 0.63 H new ATOM 342 N PHE A 25 8.336 -3.857 -9.275 1.00 0.53 N ATOM 343 CA PHE A 25 9.714 -3.529 -8.950 1.00 0.56 C ATOM 344 C PHE A 25 10.679 -4.154 -9.961 1.00 0.64 C ATOM 345 O PHE A 25 10.735 -5.375 -10.098 1.00 0.86 O ATOM 346 CB PHE A 25 9.998 -4.112 -7.565 1.00 0.59 C ATOM 347 CG PHE A 25 9.772 -3.126 -6.417 1.00 0.75 C ATOM 348 CD1 PHE A 25 10.591 -2.050 -6.274 1.00 2.25 C ATOM 349 CD2 PHE A 25 8.753 -3.327 -5.539 1.00 1.52 C ATOM 350 CE1 PHE A 25 10.381 -1.135 -5.209 1.00 2.57 C ATOM 351 CE2 PHE A 25 8.543 -2.412 -4.474 1.00 1.62 C ATOM 352 CZ PHE A 25 9.362 -1.335 -4.331 1.00 1.54 C ATOM 0 H PHE A 25 8.215 -4.727 -9.794 1.00 0.53 H new ATOM 0 HA PHE A 25 9.855 -2.448 -8.973 1.00 0.56 H new ATOM 0 HB2 PHE A 25 9.362 -4.984 -7.412 1.00 0.59 H new ATOM 0 HB3 PHE A 25 11.030 -4.460 -7.533 1.00 0.59 H new ATOM 0 HD1 PHE A 25 11.401 -1.891 -6.970 1.00 2.25 H new ATOM 0 HD2 PHE A 25 8.104 -4.183 -5.652 1.00 1.52 H new ATOM 0 HE1 PHE A 25 11.031 -0.280 -5.096 1.00 2.57 H new ATOM 0 HE2 PHE A 25 7.733 -2.571 -3.777 1.00 1.62 H new ATOM 0 HZ PHE A 25 9.203 -0.639 -3.520 1.00 1.54 H new ATOM 362 N SER A 26 11.414 -3.287 -10.642 1.00 0.67 N ATOM 363 CA SER A 26 12.373 -3.739 -11.636 1.00 0.78 C ATOM 364 C SER A 26 13.597 -4.346 -10.944 1.00 0.79 C ATOM 365 O SER A 26 14.492 -4.868 -11.606 1.00 0.93 O ATOM 366 CB SER A 26 12.798 -2.591 -12.553 1.00 1.02 C ATOM 367 OG SER A 26 12.260 -2.728 -13.866 1.00 1.54 O ATOM 0 H SER A 26 11.365 -2.275 -10.525 1.00 0.67 H new ATOM 0 HA SER A 26 11.895 -4.502 -12.251 1.00 0.78 H new ATOM 0 HB2 SER A 26 12.470 -1.644 -12.124 1.00 1.02 H new ATOM 0 HB3 SER A 26 13.886 -2.556 -12.609 1.00 1.02 H new ATOM 0 HG SER A 26 12.553 -1.975 -14.420 1.00 1.54 H new ATOM 373 N GLU A 27 13.595 -4.255 -9.623 1.00 0.80 N ATOM 374 CA GLU A 27 14.693 -4.788 -8.834 1.00 1.07 C ATOM 375 C GLU A 27 14.522 -4.412 -7.362 1.00 1.43 C ATOM 376 O GLU A 27 15.000 -3.365 -6.926 1.00 2.39 O ATOM 377 CB GLU A 27 16.040 -4.302 -9.373 1.00 1.67 C ATOM 378 CG GLU A 27 16.790 -5.435 -10.077 1.00 3.00 C ATOM 379 CD GLU A 27 17.754 -6.135 -9.116 1.00 3.90 C ATOM 380 OE1 GLU A 27 17.368 -6.288 -7.938 1.00 4.63 O ATOM 381 OE2 GLU A 27 18.854 -6.502 -9.583 1.00 4.78 O ATOM 0 H GLU A 27 12.850 -3.820 -9.078 1.00 0.80 H new ATOM 0 HA GLU A 27 14.678 -5.875 -8.913 1.00 1.07 H new ATOM 0 HB2 GLU A 27 15.881 -3.478 -10.069 1.00 1.67 H new ATOM 0 HB3 GLU A 27 16.645 -3.915 -8.553 1.00 1.67 H new ATOM 0 HG2 GLU A 27 16.076 -6.158 -10.472 1.00 3.00 H new ATOM 0 HG3 GLU A 27 17.344 -5.036 -10.927 1.00 3.00 H new ATOM 388 N ASN A 28 13.838 -5.285 -6.636 1.00 1.67 N ATOM 389 CA ASN A 28 13.598 -5.056 -5.222 1.00 2.45 C ATOM 390 C ASN A 28 13.773 -6.372 -4.460 1.00 1.74 C ATOM 391 O ASN A 28 14.542 -6.441 -3.503 1.00 2.25 O ATOM 392 CB ASN A 28 12.173 -4.556 -4.979 1.00 3.86 C ATOM 393 CG ASN A 28 11.737 -4.821 -3.537 1.00 4.43 C ATOM 394 OD1 ASN A 28 11.165 -6.007 -3.354 1.00 5.26 O flip ATOM 395 ND2 ASN A 28 11.909 -4.002 -2.648 1.00 4.10 N flip ATOM 0 H ASN A 28 13.443 -6.152 -7.001 1.00 1.67 H new ATOM 0 HA ASN A 28 14.308 -4.304 -4.877 1.00 2.45 H new ATOM 0 HB2 ASN A 28 12.118 -3.488 -5.189 1.00 3.86 H new ATOM 0 HB3 ASN A 28 11.488 -5.052 -5.667 1.00 3.86 H new ATOM 0 HD21 ASN A 28 12.355 -3.109 -2.857 1.00 4.10 H new ATOM 0 HD22 ASN A 28 11.606 -4.211 -1.697 1.00 4.10 H new ATOM 402 N LEU A 29 13.047 -7.383 -4.915 1.00 1.43 N ATOM 403 CA LEU A 29 13.112 -8.692 -4.289 1.00 2.09 C ATOM 404 C LEU A 29 13.093 -8.526 -2.768 1.00 1.92 C ATOM 405 O LEU A 29 14.145 -8.440 -2.136 1.00 2.81 O ATOM 406 CB LEU A 29 14.320 -9.475 -4.807 1.00 3.53 C ATOM 407 CG LEU A 29 15.679 -8.791 -4.649 1.00 4.77 C ATOM 408 CD1 LEU A 29 16.813 -9.818 -4.656 1.00 5.96 C ATOM 409 CD2 LEU A 29 15.878 -7.712 -5.715 1.00 5.14 C ATOM 0 H LEU A 29 12.411 -7.321 -5.710 1.00 1.43 H new ATOM 0 HA LEU A 29 12.238 -9.286 -4.557 1.00 2.09 H new ATOM 0 HB2 LEU A 29 14.356 -10.434 -4.290 1.00 3.53 H new ATOM 0 HB3 LEU A 29 14.164 -9.689 -5.864 1.00 3.53 H new ATOM 0 HG LEU A 29 15.700 -8.293 -3.679 1.00 4.77 H new ATOM 0 HD11 LEU A 29 17.768 -9.306 -4.542 1.00 5.96 H new ATOM 0 HD12 LEU A 29 16.676 -10.517 -3.831 1.00 5.96 H new ATOM 0 HD13 LEU A 29 16.804 -10.364 -5.600 1.00 5.96 H new ATOM 0 HD21 LEU A 29 16.852 -7.242 -5.579 1.00 5.14 H new ATOM 0 HD22 LEU A 29 15.828 -8.165 -6.705 1.00 5.14 H new ATOM 0 HD23 LEU A 29 15.095 -6.959 -5.621 1.00 5.14 H new ATOM 421 N VAL A 30 11.885 -8.487 -2.224 1.00 1.87 N ATOM 422 CA VAL A 30 11.715 -8.334 -0.788 1.00 2.35 C ATOM 423 C VAL A 30 12.666 -9.288 -0.062 1.00 1.58 C ATOM 424 O VAL A 30 13.824 -8.952 0.180 1.00 2.42 O ATOM 425 CB VAL A 30 10.249 -8.548 -0.408 1.00 3.95 C ATOM 426 CG1 VAL A 30 10.075 -8.584 1.111 1.00 4.19 C ATOM 427 CG2 VAL A 30 9.359 -7.473 -1.037 1.00 5.77 C ATOM 0 H VAL A 30 11.015 -8.559 -2.751 1.00 1.87 H new ATOM 0 HA VAL A 30 11.972 -7.321 -0.479 1.00 2.35 H new ATOM 0 HB VAL A 30 9.938 -9.515 -0.803 1.00 3.95 H new ATOM 0 HG11 VAL A 30 9.023 -8.737 1.353 1.00 4.19 H new ATOM 0 HG12 VAL A 30 10.666 -9.401 1.526 1.00 4.19 H new ATOM 0 HG13 VAL A 30 10.412 -7.639 1.538 1.00 4.19 H new ATOM 0 HG21 VAL A 30 8.321 -7.647 -0.752 1.00 5.77 H new ATOM 0 HG22 VAL A 30 9.672 -6.490 -0.685 1.00 5.77 H new ATOM 0 HG23 VAL A 30 9.449 -7.515 -2.122 1.00 5.77 H new ATOM 437 N THR A 31 12.140 -10.460 0.267 1.00 1.67 N ATOM 438 CA THR A 31 12.927 -11.465 0.960 1.00 2.56 C ATOM 439 C THR A 31 13.838 -10.806 1.998 1.00 2.63 C ATOM 440 O THR A 31 14.938 -11.291 2.261 1.00 3.70 O ATOM 441 CB THR A 31 13.690 -12.276 -0.089 1.00 3.54 C ATOM 442 OG1 THR A 31 14.345 -13.292 0.666 1.00 4.90 O ATOM 443 CG2 THR A 31 14.835 -11.485 -0.723 1.00 4.25 C ATOM 0 H THR A 31 11.179 -10.735 0.066 1.00 1.67 H new ATOM 0 HA THR A 31 12.289 -12.149 1.520 1.00 2.56 H new ATOM 0 HB THR A 31 13.000 -12.601 -0.868 1.00 3.54 H new ATOM 0 HG1 THR A 31 14.716 -12.903 1.486 1.00 4.90 H new ATOM 0 HG21 THR A 31 15.343 -12.107 -1.460 1.00 4.25 H new ATOM 0 HG22 THR A 31 14.436 -10.596 -1.212 1.00 4.25 H new ATOM 0 HG23 THR A 31 15.543 -11.187 0.050 1.00 4.25 H new ATOM 451 N GLN A 32 13.347 -9.711 2.560 1.00 1.89 N ATOM 452 CA GLN A 32 14.103 -8.980 3.563 1.00 2.09 C ATOM 453 C GLN A 32 13.184 -8.535 4.701 1.00 1.85 C ATOM 454 O GLN A 32 13.096 -9.204 5.731 1.00 2.55 O ATOM 455 CB GLN A 32 14.825 -7.784 2.942 1.00 2.50 C ATOM 456 CG GLN A 32 16.343 -7.957 3.019 1.00 3.45 C ATOM 457 CD GLN A 32 16.785 -9.238 2.310 1.00 4.07 C ATOM 458 OE1 GLN A 32 17.024 -10.268 2.923 1.00 4.48 O ATOM 459 NE2 GLN A 32 16.882 -9.121 0.989 1.00 4.97 N ATOM 0 H GLN A 32 12.434 -9.312 2.340 1.00 1.89 H new ATOM 0 HA GLN A 32 14.861 -9.646 3.974 1.00 2.09 H new ATOM 0 HB2 GLN A 32 14.521 -7.672 1.901 1.00 2.50 H new ATOM 0 HB3 GLN A 32 14.533 -6.870 3.460 1.00 2.50 H new ATOM 0 HG2 GLN A 32 16.834 -7.097 2.564 1.00 3.45 H new ATOM 0 HG3 GLN A 32 16.657 -7.988 4.062 1.00 3.45 H new ATOM 0 HE21 GLN A 32 16.668 -8.231 0.539 1.00 4.97 H new ATOM 0 HE22 GLN A 32 17.171 -9.921 0.426 1.00 4.97 H new ATOM 468 N PHE A 33 12.520 -7.411 4.478 1.00 1.54 N ATOM 469 CA PHE A 33 11.610 -6.869 5.472 1.00 1.65 C ATOM 470 C PHE A 33 10.636 -5.872 4.839 1.00 1.32 C ATOM 471 O PHE A 33 10.166 -4.950 5.504 1.00 1.70 O ATOM 472 CB PHE A 33 12.464 -6.140 6.511 1.00 2.29 C ATOM 473 CG PHE A 33 13.111 -7.064 7.544 1.00 2.77 C ATOM 474 CD1 PHE A 33 12.338 -7.898 8.290 1.00 3.74 C ATOM 475 CD2 PHE A 33 14.460 -7.053 7.717 1.00 3.04 C ATOM 476 CE1 PHE A 33 12.938 -8.756 9.249 1.00 4.17 C ATOM 477 CE2 PHE A 33 15.061 -7.912 8.674 1.00 3.48 C ATOM 478 CZ PHE A 33 14.288 -8.744 9.421 1.00 3.70 C ATOM 0 H PHE A 33 12.594 -6.860 3.623 1.00 1.54 H new ATOM 0 HA PHE A 33 11.025 -7.673 5.918 1.00 1.65 H new ATOM 0 HB2 PHE A 33 13.247 -5.583 5.996 1.00 2.29 H new ATOM 0 HB3 PHE A 33 11.842 -5.411 7.030 1.00 2.29 H new ATOM 0 HD1 PHE A 33 11.267 -7.908 8.153 1.00 3.74 H new ATOM 0 HD2 PHE A 33 15.074 -6.390 7.126 1.00 3.04 H new ATOM 0 HE1 PHE A 33 12.324 -9.418 9.842 1.00 4.17 H new ATOM 0 HE2 PHE A 33 16.133 -7.905 8.809 1.00 3.48 H new ATOM 0 HZ PHE A 33 14.745 -9.396 10.151 1.00 3.70 H new ATOM 488 N SER A 34 10.362 -6.091 3.562 1.00 0.88 N ATOM 489 CA SER A 34 9.454 -5.224 2.832 1.00 0.66 C ATOM 490 C SER A 34 8.008 -5.668 3.061 1.00 0.63 C ATOM 491 O SER A 34 7.746 -6.849 3.291 1.00 0.94 O ATOM 492 CB SER A 34 9.776 -5.221 1.336 1.00 0.74 C ATOM 493 OG SER A 34 8.607 -5.059 0.538 1.00 1.50 O ATOM 0 H SER A 34 10.753 -6.857 3.014 1.00 0.88 H new ATOM 0 HA SER A 34 9.580 -4.208 3.205 1.00 0.66 H new ATOM 0 HB2 SER A 34 10.478 -4.416 1.118 1.00 0.74 H new ATOM 0 HB3 SER A 34 10.270 -6.155 1.070 1.00 0.74 H new ATOM 0 HG SER A 34 8.211 -4.180 0.713 1.00 1.50 H new ATOM 499 N GLY A 35 7.106 -4.700 2.991 1.00 0.53 N ATOM 500 CA GLY A 35 5.693 -4.977 3.189 1.00 0.64 C ATOM 501 C GLY A 35 4.856 -3.708 3.014 1.00 0.60 C ATOM 502 O GLY A 35 5.370 -2.675 2.586 1.00 0.77 O ATOM 0 H GLY A 35 7.326 -3.723 2.800 1.00 0.53 H new ATOM 0 HA2 GLY A 35 5.364 -5.735 2.478 1.00 0.64 H new ATOM 0 HA3 GLY A 35 5.535 -5.386 4.187 1.00 0.64 H new ATOM 506 N ALA A 36 3.581 -3.828 3.353 1.00 0.51 N ATOM 507 CA ALA A 36 2.668 -2.704 3.239 1.00 0.51 C ATOM 508 C ALA A 36 1.569 -2.835 4.295 1.00 0.52 C ATOM 509 O ALA A 36 1.357 -3.916 4.843 1.00 0.60 O ATOM 510 CB ALA A 36 2.105 -2.644 1.817 1.00 0.61 C ATOM 0 H ALA A 36 3.159 -4.686 3.707 1.00 0.51 H new ATOM 0 HA ALA A 36 3.192 -1.766 3.422 1.00 0.51 H new ATOM 0 HB1 ALA A 36 1.420 -1.800 1.732 1.00 0.61 H new ATOM 0 HB2 ALA A 36 2.923 -2.520 1.107 1.00 0.61 H new ATOM 0 HB3 ALA A 36 1.571 -3.569 1.598 1.00 0.61 H new ATOM 516 N LYS A 37 0.901 -1.720 4.549 1.00 0.49 N ATOM 517 CA LYS A 37 -0.171 -1.696 5.531 1.00 0.54 C ATOM 518 C LYS A 37 -1.133 -0.553 5.203 1.00 0.49 C ATOM 519 O LYS A 37 -0.708 0.586 5.018 1.00 0.46 O ATOM 520 CB LYS A 37 0.402 -1.630 6.948 1.00 0.62 C ATOM 521 CG LYS A 37 0.217 -2.963 7.677 1.00 0.90 C ATOM 522 CD LYS A 37 0.981 -2.974 9.002 1.00 1.17 C ATOM 523 CE LYS A 37 1.024 -4.381 9.599 1.00 1.81 C ATOM 524 NZ LYS A 37 0.379 -4.401 10.930 1.00 2.51 N ATOM 0 H LYS A 37 1.081 -0.826 4.092 1.00 0.49 H new ATOM 0 HA LYS A 37 -0.748 -2.620 5.488 1.00 0.54 H new ATOM 0 HB2 LYS A 37 1.462 -1.379 6.904 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -0.091 -0.834 7.507 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -0.843 -3.136 7.863 1.00 0.90 H new ATOM 0 HG3 LYS A 37 0.567 -3.779 7.045 1.00 0.90 H new ATOM 0 HD2 LYS A 37 1.997 -2.611 8.843 1.00 1.17 H new ATOM 0 HD3 LYS A 37 0.505 -2.291 9.706 1.00 1.17 H new ATOM 0 HE2 LYS A 37 0.518 -5.080 8.933 1.00 1.81 H new ATOM 0 HE3 LYS A 37 2.058 -4.714 9.685 1.00 1.81 H new ATOM 0 HZ1 LYS A 37 0.418 -5.364 11.320 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 0.879 -3.749 11.568 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 -0.613 -4.104 10.839 1.00 2.51 H new ATOM 538 N LEU A 38 -2.411 -0.897 5.140 1.00 0.50 N ATOM 539 CA LEU A 38 -3.436 0.086 4.837 1.00 0.48 C ATOM 540 C LEU A 38 -4.091 0.552 6.139 1.00 0.53 C ATOM 541 O LEU A 38 -4.282 -0.241 7.060 1.00 0.56 O ATOM 542 CB LEU A 38 -4.430 -0.472 3.815 1.00 0.50 C ATOM 543 CG LEU A 38 -5.734 0.310 3.651 1.00 0.50 C ATOM 544 CD1 LEU A 38 -5.459 1.802 3.463 1.00 0.59 C ATOM 545 CD2 LEU A 38 -6.580 -0.265 2.513 1.00 0.67 C ATOM 0 H LEU A 38 -2.760 -1.843 5.294 1.00 0.50 H new ATOM 0 HA LEU A 38 -2.993 0.965 4.369 1.00 0.48 H new ATOM 0 HB2 LEU A 38 -3.935 -0.521 2.845 1.00 0.50 H new ATOM 0 HB3 LEU A 38 -4.676 -1.495 4.099 1.00 0.50 H new ATOM 0 HG LEU A 38 -6.313 0.203 4.568 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -6.403 2.334 3.349 1.00 0.59 H new ATOM 0 HD12 LEU A 38 -4.929 2.187 4.334 1.00 0.59 H new ATOM 0 HD13 LEU A 38 -4.849 1.950 2.572 1.00 0.59 H new ATOM 0 HD21 LEU A 38 -7.501 0.310 2.418 1.00 0.67 H new ATOM 0 HD22 LEU A 38 -6.020 -0.209 1.579 1.00 0.67 H new ATOM 0 HD23 LEU A 38 -6.822 -1.305 2.729 1.00 0.67 H new ATOM 557 N VAL A 39 -4.416 1.836 6.174 1.00 0.60 N ATOM 558 CA VAL A 39 -5.045 2.417 7.348 1.00 0.69 C ATOM 559 C VAL A 39 -6.191 3.329 6.909 1.00 0.70 C ATOM 560 O VAL A 39 -6.058 4.078 5.943 1.00 0.70 O ATOM 561 CB VAL A 39 -3.998 3.140 8.198 1.00 0.79 C ATOM 562 CG1 VAL A 39 -2.763 2.263 8.412 1.00 0.74 C ATOM 563 CG2 VAL A 39 -3.615 4.483 7.573 1.00 0.91 C ATOM 0 H VAL A 39 -4.256 2.490 5.408 1.00 0.60 H new ATOM 0 HA VAL A 39 -5.474 1.637 7.977 1.00 0.69 H new ATOM 0 HB VAL A 39 -4.440 3.339 9.174 1.00 0.79 H new ATOM 0 HG11 VAL A 39 -2.035 2.801 9.019 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -3.053 1.345 8.922 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -2.320 2.017 7.447 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -2.870 4.976 8.197 1.00 0.91 H new ATOM 0 HG22 VAL A 39 -3.202 4.317 6.578 1.00 0.91 H new ATOM 0 HG23 VAL A 39 -4.500 5.115 7.498 1.00 0.91 H new ATOM 573 N MET A 40 -7.293 3.234 7.639 1.00 0.74 N ATOM 574 CA MET A 40 -8.463 4.041 7.337 1.00 0.77 C ATOM 575 C MET A 40 -8.449 5.347 8.133 1.00 0.87 C ATOM 576 O MET A 40 -8.857 5.376 9.293 1.00 0.94 O ATOM 577 CB MET A 40 -9.729 3.252 7.674 1.00 0.79 C ATOM 578 CG MET A 40 -10.981 4.105 7.458 1.00 0.86 C ATOM 579 SD MET A 40 -11.657 4.606 9.032 1.00 0.93 S ATOM 580 CE MET A 40 -12.365 3.059 9.572 1.00 2.43 C ATOM 0 H MET A 40 -7.400 2.610 8.439 1.00 0.74 H new ATOM 0 HA MET A 40 -8.448 4.285 6.275 1.00 0.77 H new ATOM 0 HB2 MET A 40 -9.781 2.359 7.052 1.00 0.79 H new ATOM 0 HB3 MET A 40 -9.688 2.916 8.710 1.00 0.79 H new ATOM 0 HG2 MET A 40 -10.734 4.984 6.863 1.00 0.86 H new ATOM 0 HG3 MET A 40 -11.725 3.539 6.897 1.00 0.86 H new ATOM 0 HE1 MET A 40 -13.116 3.250 10.338 1.00 2.43 H new ATOM 0 HE2 MET A 40 -12.831 2.557 8.724 1.00 2.43 H new ATOM 0 HE3 MET A 40 -11.581 2.424 9.984 1.00 2.43 H new ATOM 590 N THR A 41 -7.974 6.397 7.479 1.00 0.89 N ATOM 591 CA THR A 41 -7.901 7.704 8.112 1.00 1.00 C ATOM 592 C THR A 41 -8.906 8.663 7.471 1.00 1.04 C ATOM 593 O THR A 41 -8.522 9.697 6.927 1.00 1.11 O ATOM 594 CB THR A 41 -6.454 8.191 8.023 1.00 1.06 C ATOM 595 OG1 THR A 41 -6.459 9.424 8.739 1.00 1.22 O ATOM 596 CG2 THR A 41 -6.055 8.588 6.600 1.00 1.10 C ATOM 0 H THR A 41 -7.636 6.370 6.517 1.00 0.89 H new ATOM 0 HA THR A 41 -8.177 7.650 9.165 1.00 1.00 H new ATOM 0 HB THR A 41 -5.785 7.409 8.382 1.00 1.06 H new ATOM 0 HG1 THR A 41 -7.071 10.053 8.303 1.00 1.22 H new ATOM 0 HG21 THR A 41 -5.019 8.926 6.594 1.00 1.10 H new ATOM 0 HG22 THR A 41 -6.160 7.728 5.939 1.00 1.10 H new ATOM 0 HG23 THR A 41 -6.702 9.394 6.252 1.00 1.10 H new ATOM 604 N ALA A 42 -10.174 8.287 7.559 1.00 1.03 N ATOM 605 CA ALA A 42 -11.237 9.101 6.995 1.00 1.09 C ATOM 606 C ALA A 42 -10.985 10.570 7.338 1.00 1.06 C ATOM 607 O ALA A 42 -10.947 11.421 6.451 1.00 2.03 O ATOM 608 CB ALA A 42 -12.589 8.605 7.511 1.00 1.23 C ATOM 0 H ALA A 42 -10.489 7.429 8.013 1.00 1.03 H new ATOM 0 HA ALA A 42 -11.251 9.014 5.909 1.00 1.09 H new ATOM 0 HB1 ALA A 42 -13.386 9.216 7.088 1.00 1.23 H new ATOM 0 HB2 ALA A 42 -12.732 7.566 7.215 1.00 1.23 H new ATOM 0 HB3 ALA A 42 -12.613 8.680 8.598 1.00 1.23 H new ATOM 614 N MET A 43 -10.819 10.823 8.628 1.00 1.52 N ATOM 615 CA MET A 43 -10.571 12.175 9.100 1.00 1.64 C ATOM 616 C MET A 43 -9.093 12.376 9.439 1.00 1.58 C ATOM 617 O MET A 43 -8.601 11.837 10.430 1.00 1.95 O ATOM 618 CB MET A 43 -11.421 12.446 10.342 1.00 2.64 C ATOM 619 CG MET A 43 -12.911 12.462 9.995 1.00 3.39 C ATOM 620 SD MET A 43 -13.590 14.085 10.293 1.00 3.77 S ATOM 621 CE MET A 43 -15.195 13.894 9.531 1.00 4.66 C ATOM 0 H MET A 43 -10.851 10.115 9.361 1.00 1.52 H new ATOM 0 HA MET A 43 -10.840 12.871 8.306 1.00 1.64 H new ATOM 0 HB2 MET A 43 -11.227 11.681 11.093 1.00 2.64 H new ATOM 0 HB3 MET A 43 -11.136 13.402 10.780 1.00 2.64 H new ATOM 0 HG2 MET A 43 -13.052 12.186 8.950 1.00 3.39 H new ATOM 0 HG3 MET A 43 -13.440 11.722 10.595 1.00 3.39 H new ATOM 0 HE1 MET A 43 -15.756 14.823 9.627 1.00 4.66 H new ATOM 0 HE2 MET A 43 -15.070 13.653 8.475 1.00 4.66 H new ATOM 0 HE3 MET A 43 -15.739 13.089 10.025 1.00 4.66 H new ATOM 631 N PRO A 44 -8.408 13.173 8.575 1.00 2.08 N ATOM 632 CA PRO A 44 -6.995 13.450 8.773 1.00 2.96 C ATOM 633 C PRO A 44 -6.788 14.450 9.913 1.00 3.56 C ATOM 634 O PRO A 44 -5.733 14.464 10.547 1.00 4.65 O ATOM 635 CB PRO A 44 -6.505 13.971 7.432 1.00 3.81 C ATOM 636 CG PRO A 44 -7.749 14.403 6.672 1.00 3.57 C ATOM 637 CD PRO A 44 -8.958 13.827 7.392 1.00 2.47 C ATOM 0 HA PRO A 44 -6.431 12.567 9.073 1.00 2.96 H new ATOM 0 HB2 PRO A 44 -5.819 14.807 7.565 1.00 3.81 H new ATOM 0 HB3 PRO A 44 -5.963 13.198 6.887 1.00 3.81 H new ATOM 0 HG2 PRO A 44 -7.812 15.490 6.630 1.00 3.57 H new ATOM 0 HG3 PRO A 44 -7.711 14.045 5.643 1.00 3.57 H new ATOM 0 HD2 PRO A 44 -9.666 14.609 7.665 1.00 2.47 H new ATOM 0 HD3 PRO A 44 -9.494 13.118 6.761 1.00 2.47 H new ATOM 645 N GLY A 45 -7.811 15.260 10.140 1.00 3.85 N ATOM 646 CA GLY A 45 -7.754 16.260 11.193 1.00 4.66 C ATOM 647 C GLY A 45 -8.075 15.642 12.555 1.00 3.81 C ATOM 648 O GLY A 45 -9.053 16.020 13.198 1.00 3.55 O ATOM 0 H GLY A 45 -8.684 15.245 9.613 1.00 3.85 H new ATOM 0 HA2 GLY A 45 -6.761 16.710 11.219 1.00 4.66 H new ATOM 0 HA3 GLY A 45 -8.461 17.061 10.977 1.00 4.66 H new ATOM 652 N MET A 46 -7.233 14.700 12.955 1.00 3.77 N ATOM 653 CA MET A 46 -7.414 14.025 14.229 1.00 3.43 C ATOM 654 C MET A 46 -6.068 13.604 14.822 1.00 3.03 C ATOM 655 O MET A 46 -5.807 12.414 14.996 1.00 3.26 O ATOM 656 CB MET A 46 -8.295 12.789 14.031 1.00 4.34 C ATOM 657 CG MET A 46 -9.759 13.104 14.343 1.00 4.85 C ATOM 658 SD MET A 46 -10.556 11.670 15.044 1.00 5.76 S ATOM 659 CE MET A 46 -10.724 12.206 16.738 1.00 5.27 C ATOM 0 H MET A 46 -6.423 14.388 12.419 1.00 3.77 H new ATOM 0 HA MET A 46 -7.894 14.717 14.921 1.00 3.43 H new ATOM 0 HB2 MET A 46 -8.206 12.435 13.004 1.00 4.34 H new ATOM 0 HB3 MET A 46 -7.947 11.983 14.677 1.00 4.34 H new ATOM 0 HG2 MET A 46 -9.819 13.940 15.039 1.00 4.85 H new ATOM 0 HG3 MET A 46 -10.276 13.409 13.433 1.00 4.85 H new ATOM 0 HE1 MET A 46 -11.207 11.422 17.321 1.00 5.27 H new ATOM 0 HE2 MET A 46 -9.738 12.412 17.154 1.00 5.27 H new ATOM 0 HE3 MET A 46 -11.330 13.111 16.775 1.00 5.27 H new ATOM 669 N GLU A 47 -5.249 14.602 15.119 1.00 2.88 N ATOM 670 CA GLU A 47 -3.937 14.350 15.690 1.00 3.13 C ATOM 671 C GLU A 47 -3.275 13.160 14.993 1.00 3.18 C ATOM 672 O GLU A 47 -2.468 12.454 15.596 1.00 3.73 O ATOM 673 CB GLU A 47 -4.032 14.119 17.199 1.00 3.58 C ATOM 674 CG GLU A 47 -2.950 14.906 17.943 1.00 4.23 C ATOM 675 CD GLU A 47 -2.407 14.105 19.128 1.00 5.20 C ATOM 676 OE1 GLU A 47 -3.256 13.892 20.077 1.00 5.85 O ATOM 677 OE2 GLU A 47 -1.231 13.714 19.126 1.00 5.93 O ATOM 0 H GLU A 47 -5.469 15.588 14.975 1.00 2.88 H new ATOM 0 HA GLU A 47 -3.316 15.231 15.529 1.00 3.13 H new ATOM 0 HB2 GLU A 47 -5.017 14.421 17.556 1.00 3.58 H new ATOM 0 HB3 GLU A 47 -3.927 13.056 17.415 1.00 3.58 H new ATOM 0 HG2 GLU A 47 -2.136 15.148 17.259 1.00 4.23 H new ATOM 0 HG3 GLU A 47 -3.361 15.852 18.296 1.00 4.23 H new ATOM 684 N HIS A 48 -3.642 12.973 13.734 1.00 2.77 N ATOM 685 CA HIS A 48 -3.093 11.881 12.948 1.00 2.84 C ATOM 686 C HIS A 48 -3.322 10.557 13.682 1.00 2.29 C ATOM 687 O HIS A 48 -2.437 10.070 14.383 1.00 2.57 O ATOM 688 CB HIS A 48 -1.619 12.131 12.624 1.00 3.60 C ATOM 689 CG HIS A 48 -1.395 12.902 11.345 1.00 4.05 C ATOM 690 ND1 HIS A 48 -0.903 14.195 11.325 1.00 4.80 N ATOM 691 CD2 HIS A 48 -1.600 12.548 10.043 1.00 4.81 C ATOM 692 CE1 HIS A 48 -0.820 14.592 10.063 1.00 5.66 C ATOM 693 NE2 HIS A 48 -1.253 13.569 9.271 1.00 5.66 N ATOM 0 H HIS A 48 -4.313 13.560 13.238 1.00 2.77 H new ATOM 0 HA HIS A 48 -3.610 11.822 11.990 1.00 2.84 H new ATOM 0 HB2 HIS A 48 -1.163 12.677 13.450 1.00 3.60 H new ATOM 0 HB3 HIS A 48 -1.105 11.172 12.553 1.00 3.60 H new ATOM 0 HD2 HIS A 48 -1.980 11.597 9.699 1.00 4.81 H new ATOM 0 HE1 HIS A 48 -0.471 15.555 9.722 1.00 5.66 H new ATOM 0 HE2 HIS A 48 -1.302 13.587 8.252 1.00 5.66 H new ATOM 701 N SER A 49 -4.515 10.012 13.494 1.00 1.78 N ATOM 702 CA SER A 49 -4.872 8.755 14.129 1.00 1.49 C ATOM 703 C SER A 49 -5.473 7.800 13.096 1.00 1.17 C ATOM 704 O SER A 49 -6.690 7.631 13.035 1.00 1.12 O ATOM 705 CB SER A 49 -5.855 8.978 15.280 1.00 1.55 C ATOM 706 OG SER A 49 -5.642 8.060 16.349 1.00 2.32 O ATOM 0 H SER A 49 -5.247 10.418 12.911 1.00 1.78 H new ATOM 0 HA SER A 49 -3.966 8.311 14.542 1.00 1.49 H new ATOM 0 HB2 SER A 49 -5.753 9.998 15.652 1.00 1.55 H new ATOM 0 HB3 SER A 49 -6.875 8.874 14.911 1.00 1.55 H new ATOM 0 HG SER A 49 -6.288 8.236 17.065 1.00 2.32 H new ATOM 712 N PRO A 50 -4.567 7.183 12.288 1.00 1.17 N ATOM 713 CA PRO A 50 -4.997 6.249 11.261 1.00 1.10 C ATOM 714 C PRO A 50 -5.411 4.911 11.876 1.00 1.06 C ATOM 715 O PRO A 50 -4.794 4.444 12.831 1.00 1.30 O ATOM 716 CB PRO A 50 -3.809 6.127 10.320 1.00 1.37 C ATOM 717 CG PRO A 50 -2.605 6.631 11.101 1.00 1.58 C ATOM 718 CD PRO A 50 -3.120 7.359 12.332 1.00 1.47 C ATOM 0 HA PRO A 50 -5.881 6.591 10.724 1.00 1.10 H new ATOM 0 HB2 PRO A 50 -3.665 5.094 10.004 1.00 1.37 H new ATOM 0 HB3 PRO A 50 -3.964 6.717 9.417 1.00 1.37 H new ATOM 0 HG2 PRO A 50 -1.962 5.800 11.390 1.00 1.58 H new ATOM 0 HG3 PRO A 50 -2.003 7.300 10.486 1.00 1.58 H new ATOM 0 HD2 PRO A 50 -2.698 6.940 13.245 1.00 1.47 H new ATOM 0 HD3 PRO A 50 -2.849 8.414 12.310 1.00 1.47 H new ATOM 726 N MET A 51 -6.456 4.331 11.302 1.00 0.90 N ATOM 727 CA MET A 51 -6.961 3.056 11.781 1.00 0.99 C ATOM 728 C MET A 51 -6.565 1.920 10.837 1.00 0.98 C ATOM 729 O MET A 51 -7.106 1.804 9.737 1.00 1.20 O ATOM 730 CB MET A 51 -8.486 3.120 11.892 1.00 1.03 C ATOM 731 CG MET A 51 -8.917 4.163 12.925 1.00 1.39 C ATOM 732 SD MET A 51 -9.737 3.364 14.294 1.00 1.76 S ATOM 733 CE MET A 51 -11.139 4.452 14.494 1.00 2.84 C ATOM 0 H MET A 51 -6.966 4.721 10.510 1.00 0.90 H new ATOM 0 HA MET A 51 -6.525 2.858 12.760 1.00 0.99 H new ATOM 0 HB2 MET A 51 -8.915 3.366 10.921 1.00 1.03 H new ATOM 0 HB3 MET A 51 -8.875 2.142 12.174 1.00 1.03 H new ATOM 0 HG2 MET A 51 -8.047 4.714 13.283 1.00 1.39 H new ATOM 0 HG3 MET A 51 -9.586 4.889 12.463 1.00 1.39 H new ATOM 0 HE1 MET A 51 -11.762 4.096 15.315 1.00 2.84 H new ATOM 0 HE2 MET A 51 -10.789 5.460 14.715 1.00 2.84 H new ATOM 0 HE3 MET A 51 -11.724 4.465 13.574 1.00 2.84 H new ATOM 743 N ALA A 52 -5.625 1.109 11.299 1.00 0.83 N ATOM 744 CA ALA A 52 -5.151 -0.015 10.508 1.00 0.82 C ATOM 745 C ALA A 52 -6.342 -0.886 10.102 1.00 0.80 C ATOM 746 O ALA A 52 -7.286 -1.050 10.872 1.00 0.85 O ATOM 747 CB ALA A 52 -4.104 -0.794 11.307 1.00 0.92 C ATOM 0 H ALA A 52 -5.179 1.207 12.211 1.00 0.83 H new ATOM 0 HA ALA A 52 -4.671 0.333 9.593 1.00 0.82 H new ATOM 0 HB1 ALA A 52 -3.748 -1.637 10.715 1.00 0.92 H new ATOM 0 HB2 ALA A 52 -3.266 -0.138 11.545 1.00 0.92 H new ATOM 0 HB3 ALA A 52 -4.551 -1.162 12.230 1.00 0.92 H new ATOM 753 N VAL A 53 -6.256 -1.422 8.894 1.00 0.75 N ATOM 754 CA VAL A 53 -7.314 -2.271 8.376 1.00 0.76 C ATOM 755 C VAL A 53 -6.800 -3.708 8.262 1.00 0.80 C ATOM 756 O VAL A 53 -5.607 -3.929 8.061 1.00 0.93 O ATOM 757 CB VAL A 53 -7.829 -1.715 7.046 1.00 0.73 C ATOM 758 CG1 VAL A 53 -6.793 -1.901 5.936 1.00 0.57 C ATOM 759 CG2 VAL A 53 -9.164 -2.356 6.663 1.00 0.92 C ATOM 0 H VAL A 53 -5.470 -1.285 8.259 1.00 0.75 H new ATOM 0 HA VAL A 53 -8.163 -2.281 9.060 1.00 0.76 H new ATOM 0 HB VAL A 53 -7.996 -0.645 7.173 1.00 0.73 H new ATOM 0 HG11 VAL A 53 -7.184 -1.498 5.002 1.00 0.57 H new ATOM 0 HG12 VAL A 53 -5.876 -1.376 6.202 1.00 0.57 H new ATOM 0 HG13 VAL A 53 -6.580 -2.963 5.811 1.00 0.57 H new ATOM 0 HG21 VAL A 53 -9.507 -1.943 5.714 1.00 0.92 H new ATOM 0 HG22 VAL A 53 -9.035 -3.434 6.564 1.00 0.92 H new ATOM 0 HG23 VAL A 53 -9.903 -2.149 7.437 1.00 0.92 H new ATOM 769 N LYS A 54 -7.726 -4.646 8.397 1.00 0.80 N ATOM 770 CA LYS A 54 -7.381 -6.055 8.313 1.00 0.87 C ATOM 771 C LYS A 54 -7.181 -6.440 6.845 1.00 0.82 C ATOM 772 O LYS A 54 -8.140 -6.782 6.155 1.00 0.99 O ATOM 773 CB LYS A 54 -8.426 -6.907 9.037 1.00 0.97 C ATOM 774 CG LYS A 54 -8.528 -8.298 8.409 1.00 2.37 C ATOM 775 CD LYS A 54 -8.975 -9.334 9.442 1.00 2.69 C ATOM 776 CE LYS A 54 -8.164 -10.625 9.311 1.00 4.11 C ATOM 777 NZ LYS A 54 -7.296 -10.817 10.495 1.00 4.41 N ATOM 0 H LYS A 54 -8.715 -4.458 8.564 1.00 0.80 H new ATOM 0 HA LYS A 54 -6.438 -6.248 8.824 1.00 0.87 H new ATOM 0 HB2 LYS A 54 -8.160 -6.998 10.090 1.00 0.97 H new ATOM 0 HB3 LYS A 54 -9.397 -6.413 8.995 1.00 0.97 H new ATOM 0 HG2 LYS A 54 -9.236 -8.276 7.581 1.00 2.37 H new ATOM 0 HG3 LYS A 54 -7.562 -8.586 7.995 1.00 2.37 H new ATOM 0 HD2 LYS A 54 -8.856 -8.926 10.446 1.00 2.69 H new ATOM 0 HD3 LYS A 54 -10.035 -9.551 9.309 1.00 2.69 H new ATOM 0 HE2 LYS A 54 -8.838 -11.475 9.206 1.00 4.11 H new ATOM 0 HE3 LYS A 54 -7.554 -10.588 8.408 1.00 4.11 H new ATOM 0 HZ1 LYS A 54 -6.753 -11.698 10.388 1.00 4.41 H new ATOM 0 HZ2 LYS A 54 -6.640 -10.014 10.578 1.00 4.41 H new ATOM 0 HZ3 LYS A 54 -7.884 -10.874 11.351 1.00 4.41 H new ATOM 791 N ALA A 55 -5.931 -6.372 6.414 1.00 0.73 N ATOM 792 CA ALA A 55 -5.594 -6.710 5.041 1.00 0.67 C ATOM 793 C ALA A 55 -4.346 -7.596 5.030 1.00 0.59 C ATOM 794 O ALA A 55 -3.736 -7.828 6.073 1.00 0.62 O ATOM 795 CB ALA A 55 -5.404 -5.425 4.232 1.00 0.75 C ATOM 0 H ALA A 55 -5.139 -6.088 6.990 1.00 0.73 H new ATOM 0 HA ALA A 55 -6.402 -7.273 4.574 1.00 0.67 H new ATOM 0 HB1 ALA A 55 -5.151 -5.677 3.202 1.00 0.75 H new ATOM 0 HB2 ALA A 55 -6.327 -4.845 4.247 1.00 0.75 H new ATOM 0 HB3 ALA A 55 -4.598 -4.836 4.669 1.00 0.75 H new ATOM 801 N ALA A 56 -4.006 -8.067 3.839 1.00 0.54 N ATOM 802 CA ALA A 56 -2.842 -8.923 3.679 1.00 0.54 C ATOM 803 C ALA A 56 -2.116 -8.552 2.385 1.00 0.49 C ATOM 804 O ALA A 56 -2.752 -8.301 1.362 1.00 0.50 O ATOM 805 CB ALA A 56 -3.279 -10.389 3.702 1.00 0.63 C ATOM 0 H ALA A 56 -4.515 -7.873 2.977 1.00 0.54 H new ATOM 0 HA ALA A 56 -2.143 -8.778 4.503 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.406 -11.031 3.582 1.00 0.63 H new ATOM 0 HB2 ALA A 56 -3.763 -10.609 4.653 1.00 0.63 H new ATOM 0 HB3 ALA A 56 -3.979 -10.573 2.887 1.00 0.63 H new ATOM 811 N VAL A 57 -0.795 -8.527 2.471 1.00 0.61 N ATOM 812 CA VAL A 57 0.026 -8.189 1.319 1.00 0.63 C ATOM 813 C VAL A 57 0.504 -9.477 0.646 1.00 0.66 C ATOM 814 O VAL A 57 1.023 -10.373 1.310 1.00 0.71 O ATOM 815 CB VAL A 57 1.174 -7.274 1.744 1.00 0.75 C ATOM 816 CG1 VAL A 57 1.869 -7.810 2.998 1.00 1.66 C ATOM 817 CG2 VAL A 57 2.175 -7.083 0.602 1.00 1.94 C ATOM 0 H VAL A 57 -0.271 -8.735 3.321 1.00 0.61 H new ATOM 0 HA VAL A 57 -0.556 -7.634 0.584 1.00 0.63 H new ATOM 0 HB VAL A 57 0.752 -6.299 1.987 1.00 0.75 H new ATOM 0 HG11 VAL A 57 2.682 -7.140 3.278 1.00 1.66 H new ATOM 0 HG12 VAL A 57 1.150 -7.870 3.815 1.00 1.66 H new ATOM 0 HG13 VAL A 57 2.271 -8.803 2.795 1.00 1.66 H new ATOM 0 HG21 VAL A 57 2.982 -6.428 0.931 1.00 1.94 H new ATOM 0 HG22 VAL A 57 2.587 -8.050 0.314 1.00 1.94 H new ATOM 0 HG23 VAL A 57 1.670 -6.635 -0.254 1.00 1.94 H new ATOM 827 N SER A 58 0.315 -9.527 -0.665 1.00 0.67 N ATOM 828 CA SER A 58 0.721 -10.691 -1.435 1.00 0.75 C ATOM 829 C SER A 58 1.754 -10.285 -2.489 1.00 0.98 C ATOM 830 O SER A 58 2.054 -9.103 -2.645 1.00 1.66 O ATOM 831 CB SER A 58 -0.484 -11.358 -2.102 1.00 0.96 C ATOM 832 OG SER A 58 -1.488 -11.713 -1.155 1.00 1.02 O ATOM 0 H SER A 58 -0.113 -8.781 -1.213 1.00 0.67 H new ATOM 0 HA SER A 58 1.170 -11.413 -0.753 1.00 0.75 H new ATOM 0 HB2 SER A 58 -0.908 -10.682 -2.844 1.00 0.96 H new ATOM 0 HB3 SER A 58 -0.156 -12.251 -2.635 1.00 0.96 H new ATOM 0 HG SER A 58 -2.241 -12.134 -1.619 1.00 1.02 H new ATOM 838 N GLY A 59 2.267 -11.289 -3.185 1.00 0.70 N ATOM 839 CA GLY A 59 3.259 -11.051 -4.220 1.00 0.90 C ATOM 840 C GLY A 59 3.057 -12.002 -5.401 1.00 1.23 C ATOM 841 O GLY A 59 2.776 -13.184 -5.210 1.00 1.68 O ATOM 0 H GLY A 59 2.015 -12.268 -3.053 1.00 0.70 H new ATOM 0 HA2 GLY A 59 3.191 -10.019 -4.564 1.00 0.90 H new ATOM 0 HA3 GLY A 59 4.259 -11.184 -3.808 1.00 0.90 H new ATOM 845 N GLY A 60 3.209 -11.451 -6.597 1.00 1.15 N ATOM 846 CA GLY A 60 3.047 -12.235 -7.809 1.00 1.58 C ATOM 847 C GLY A 60 4.037 -13.401 -7.844 1.00 1.94 C ATOM 848 O GLY A 60 4.437 -13.911 -6.799 1.00 2.89 O ATOM 0 H GLY A 60 3.443 -10.470 -6.752 1.00 1.15 H new ATOM 0 HA2 GLY A 60 2.028 -12.617 -7.866 1.00 1.58 H new ATOM 0 HA3 GLY A 60 3.198 -11.599 -8.681 1.00 1.58 H new ATOM 852 N GLY A 61 4.403 -13.788 -9.057 1.00 2.11 N ATOM 853 CA GLY A 61 5.338 -14.885 -9.241 1.00 2.38 C ATOM 854 C GLY A 61 6.680 -14.579 -8.574 1.00 2.37 C ATOM 855 O GLY A 61 7.292 -15.459 -7.969 1.00 2.81 O ATOM 0 H GLY A 61 4.069 -13.362 -9.922 1.00 2.11 H new ATOM 0 HA2 GLY A 61 4.919 -15.799 -8.821 1.00 2.38 H new ATOM 0 HA3 GLY A 61 5.489 -15.064 -10.306 1.00 2.38 H new ATOM 859 N ASP A 62 7.098 -13.330 -8.705 1.00 2.11 N ATOM 860 CA ASP A 62 8.357 -12.897 -8.121 1.00 2.17 C ATOM 861 C ASP A 62 8.073 -12.002 -6.913 1.00 1.81 C ATOM 862 O ASP A 62 6.975 -11.466 -6.777 1.00 1.44 O ATOM 863 CB ASP A 62 9.180 -12.088 -9.126 1.00 2.42 C ATOM 864 CG ASP A 62 9.988 -12.922 -10.121 1.00 3.14 C ATOM 865 OD1 ASP A 62 10.967 -13.587 -9.752 1.00 4.69 O ATOM 866 OD2 ASP A 62 9.567 -12.871 -11.340 1.00 2.59 O ATOM 0 H ASP A 62 6.588 -12.603 -9.207 1.00 2.11 H new ATOM 0 HA ASP A 62 8.917 -13.785 -7.828 1.00 2.17 H new ATOM 0 HB2 ASP A 62 8.507 -11.437 -9.683 1.00 2.42 H new ATOM 0 HB3 ASP A 62 9.865 -11.443 -8.576 1.00 2.42 H new ATOM 871 N PRO A 63 9.110 -11.866 -6.042 1.00 2.03 N ATOM 872 CA PRO A 63 8.982 -11.045 -4.850 1.00 1.92 C ATOM 873 C PRO A 63 9.035 -9.557 -5.200 1.00 1.74 C ATOM 874 O PRO A 63 8.932 -8.705 -4.319 1.00 1.76 O ATOM 875 CB PRO A 63 10.123 -11.484 -3.947 1.00 2.38 C ATOM 876 CG PRO A 63 11.118 -12.197 -4.849 1.00 2.70 C ATOM 877 CD PRO A 63 10.425 -12.486 -6.170 1.00 2.50 C ATOM 0 HA PRO A 63 8.022 -11.176 -4.350 1.00 1.92 H new ATOM 0 HB2 PRO A 63 10.585 -10.627 -3.457 1.00 2.38 H new ATOM 0 HB3 PRO A 63 9.765 -12.147 -3.160 1.00 2.38 H new ATOM 0 HG2 PRO A 63 12.001 -11.578 -5.008 1.00 2.70 H new ATOM 0 HG3 PRO A 63 11.458 -13.123 -4.386 1.00 2.70 H new ATOM 0 HD2 PRO A 63 10.981 -12.067 -7.009 1.00 2.50 H new ATOM 0 HD3 PRO A 63 10.342 -13.558 -6.347 1.00 2.50 H new ATOM 885 N LYS A 64 9.194 -9.290 -6.488 1.00 1.64 N ATOM 886 CA LYS A 64 9.261 -7.920 -6.965 1.00 1.50 C ATOM 887 C LYS A 64 7.843 -7.390 -7.185 1.00 1.25 C ATOM 888 O LYS A 64 7.583 -6.202 -6.995 1.00 1.33 O ATOM 889 CB LYS A 64 10.151 -7.827 -8.206 1.00 1.55 C ATOM 890 CG LYS A 64 9.501 -8.530 -9.400 1.00 1.48 C ATOM 891 CD LYS A 64 10.549 -8.909 -10.450 1.00 1.82 C ATOM 892 CE LYS A 64 10.107 -8.471 -11.848 1.00 1.83 C ATOM 893 NZ LYS A 64 11.038 -8.992 -12.872 1.00 2.34 N ATOM 0 H LYS A 64 9.278 -10.000 -7.216 1.00 1.64 H new ATOM 0 HA LYS A 64 9.728 -7.280 -6.217 1.00 1.50 H new ATOM 0 HB2 LYS A 64 10.333 -6.780 -8.450 1.00 1.55 H new ATOM 0 HB3 LYS A 64 11.121 -8.279 -7.997 1.00 1.55 H new ATOM 0 HG2 LYS A 64 8.981 -9.426 -9.060 1.00 1.48 H new ATOM 0 HG3 LYS A 64 8.752 -7.877 -9.848 1.00 1.48 H new ATOM 0 HD2 LYS A 64 11.502 -8.442 -10.203 1.00 1.82 H new ATOM 0 HD3 LYS A 64 10.709 -9.987 -10.436 1.00 1.82 H new ATOM 0 HE2 LYS A 64 9.098 -8.833 -12.047 1.00 1.83 H new ATOM 0 HE3 LYS A 64 10.071 -7.383 -11.900 1.00 1.83 H new ATOM 0 HZ1 LYS A 64 10.724 -8.686 -13.815 1.00 2.34 H new ATOM 0 HZ2 LYS A 64 11.994 -8.626 -12.690 1.00 2.34 H new ATOM 0 HZ3 LYS A 64 11.052 -10.031 -12.832 1.00 2.34 H new ATOM 907 N THR A 65 6.962 -8.297 -7.581 1.00 1.05 N ATOM 908 CA THR A 65 5.576 -7.936 -7.829 1.00 0.83 C ATOM 909 C THR A 65 4.743 -8.119 -6.560 1.00 0.78 C ATOM 910 O THR A 65 4.643 -9.226 -6.033 1.00 0.87 O ATOM 911 CB THR A 65 5.075 -8.768 -9.012 1.00 0.92 C ATOM 912 OG1 THR A 65 5.613 -8.108 -10.153 1.00 0.92 O ATOM 913 CG2 THR A 65 3.561 -8.665 -9.199 1.00 0.86 C ATOM 0 H THR A 65 7.181 -9.281 -7.736 1.00 1.05 H new ATOM 0 HA THR A 65 5.482 -6.882 -8.092 1.00 0.83 H new ATOM 0 HB THR A 65 5.352 -9.812 -8.865 1.00 0.92 H new ATOM 0 HG1 THR A 65 5.133 -7.266 -10.301 1.00 0.92 H new ATOM 0 HG21 THR A 65 3.257 -9.273 -10.051 1.00 0.86 H new ATOM 0 HG22 THR A 65 3.058 -9.022 -8.300 1.00 0.86 H new ATOM 0 HG23 THR A 65 3.287 -7.626 -9.379 1.00 0.86 H new ATOM 921 N MET A 66 4.165 -7.017 -6.105 1.00 0.70 N ATOM 922 CA MET A 66 3.344 -7.042 -4.907 1.00 0.66 C ATOM 923 C MET A 66 1.878 -6.754 -5.242 1.00 0.51 C ATOM 924 O MET A 66 1.583 -6.076 -6.225 1.00 0.44 O ATOM 925 CB MET A 66 3.856 -5.997 -3.914 1.00 0.73 C ATOM 926 CG MET A 66 4.341 -6.659 -2.622 1.00 0.92 C ATOM 927 SD MET A 66 5.709 -7.751 -2.974 1.00 1.09 S ATOM 928 CE MET A 66 6.762 -6.641 -3.894 1.00 1.49 C ATOM 0 H MET A 66 4.249 -6.101 -6.545 1.00 0.70 H new ATOM 0 HA MET A 66 3.408 -8.036 -4.465 1.00 0.66 H new ATOM 0 HB2 MET A 66 4.671 -5.431 -4.365 1.00 0.73 H new ATOM 0 HB3 MET A 66 3.061 -5.286 -3.687 1.00 0.73 H new ATOM 0 HG2 MET A 66 4.648 -5.897 -1.906 1.00 0.92 H new ATOM 0 HG3 MET A 66 3.527 -7.219 -2.162 1.00 0.92 H new ATOM 0 HE1 MET A 66 7.806 -6.874 -3.686 1.00 1.49 H new ATOM 0 HE2 MET A 66 6.569 -6.757 -4.961 1.00 1.49 H new ATOM 0 HE3 MET A 66 6.554 -5.613 -3.597 1.00 1.49 H new ATOM 938 N VAL A 67 0.998 -7.283 -4.404 1.00 0.51 N ATOM 939 CA VAL A 67 -0.429 -7.091 -4.598 1.00 0.40 C ATOM 940 C VAL A 67 -1.129 -7.092 -3.237 1.00 0.41 C ATOM 941 O VAL A 67 -1.233 -8.133 -2.590 1.00 0.49 O ATOM 942 CB VAL A 67 -0.975 -8.155 -5.552 1.00 0.43 C ATOM 943 CG1 VAL A 67 -1.003 -7.637 -6.992 1.00 1.87 C ATOM 944 CG2 VAL A 67 -0.166 -9.449 -5.452 1.00 1.85 C ATOM 0 H VAL A 67 1.246 -7.844 -3.589 1.00 0.51 H new ATOM 0 HA VAL A 67 -0.625 -6.125 -5.064 1.00 0.40 H new ATOM 0 HB VAL A 67 -2.000 -8.377 -5.255 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -1.395 -8.412 -7.650 1.00 1.87 H new ATOM 0 HG12 VAL A 67 -1.642 -6.755 -7.049 1.00 1.87 H new ATOM 0 HG13 VAL A 67 0.008 -7.374 -7.304 1.00 1.87 H new ATOM 0 HG21 VAL A 67 -0.575 -10.188 -6.141 1.00 1.85 H new ATOM 0 HG22 VAL A 67 0.874 -9.249 -5.711 1.00 1.85 H new ATOM 0 HG23 VAL A 67 -0.219 -9.833 -4.433 1.00 1.85 H new ATOM 954 N ILE A 68 -1.592 -5.915 -2.845 1.00 0.39 N ATOM 955 CA ILE A 68 -2.280 -5.768 -1.573 1.00 0.41 C ATOM 956 C ILE A 68 -3.758 -6.115 -1.755 1.00 0.38 C ATOM 957 O ILE A 68 -4.441 -5.521 -2.589 1.00 0.39 O ATOM 958 CB ILE A 68 -2.042 -4.372 -0.994 1.00 0.46 C ATOM 959 CG1 ILE A 68 -0.897 -4.386 0.022 1.00 0.55 C ATOM 960 CG2 ILE A 68 -3.329 -3.799 -0.398 1.00 0.52 C ATOM 961 CD1 ILE A 68 0.461 -4.335 -0.682 1.00 0.59 C ATOM 0 H ILE A 68 -1.505 -5.054 -3.385 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.877 -6.465 -0.838 1.00 0.41 H new ATOM 0 HB ILE A 68 -1.742 -3.712 -1.808 1.00 0.46 H new ATOM 0 HG12 ILE A 68 -0.994 -3.535 0.696 1.00 0.55 H new ATOM 0 HG13 ILE A 68 -0.960 -5.286 0.634 1.00 0.55 H new ATOM 0 HG21 ILE A 68 -3.132 -2.806 0.007 1.00 0.52 H new ATOM 0 HG22 ILE A 68 -4.090 -3.730 -1.175 1.00 0.52 H new ATOM 0 HG23 ILE A 68 -3.683 -4.452 0.400 1.00 0.52 H new ATOM 0 HD11 ILE A 68 1.257 -4.346 0.062 1.00 0.59 H new ATOM 0 HD12 ILE A 68 0.564 -5.200 -1.337 1.00 0.59 H new ATOM 0 HD13 ILE A 68 0.530 -3.422 -1.274 1.00 0.59 H new ATOM 973 N THR A 69 -4.210 -7.074 -0.960 1.00 0.40 N ATOM 974 CA THR A 69 -5.595 -7.507 -1.023 1.00 0.42 C ATOM 975 C THR A 69 -6.178 -7.638 0.386 1.00 0.42 C ATOM 976 O THR A 69 -5.857 -8.580 1.109 1.00 0.52 O ATOM 977 CB THR A 69 -5.649 -8.808 -1.825 1.00 0.51 C ATOM 978 OG1 THR A 69 -6.364 -8.458 -3.007 1.00 0.57 O ATOM 979 CG2 THR A 69 -6.525 -9.871 -1.161 1.00 0.52 C ATOM 0 H THR A 69 -3.641 -7.563 -0.269 1.00 0.40 H new ATOM 0 HA THR A 69 -6.216 -6.769 -1.531 1.00 0.42 H new ATOM 0 HB THR A 69 -4.639 -9.198 -1.951 1.00 0.51 H new ATOM 0 HG1 THR A 69 -6.444 -9.245 -3.586 1.00 0.57 H new ATOM 0 HG21 THR A 69 -6.528 -10.774 -1.772 1.00 0.52 H new ATOM 0 HG22 THR A 69 -6.129 -10.103 -0.172 1.00 0.52 H new ATOM 0 HG23 THR A 69 -7.543 -9.495 -1.064 1.00 0.52 H new ATOM 987 N PRO A 70 -7.045 -6.653 0.743 1.00 0.39 N ATOM 988 CA PRO A 70 -7.675 -6.651 2.053 1.00 0.46 C ATOM 989 C PRO A 70 -8.783 -7.703 2.132 1.00 0.52 C ATOM 990 O PRO A 70 -9.589 -7.831 1.211 1.00 0.52 O ATOM 991 CB PRO A 70 -8.190 -5.233 2.239 1.00 0.50 C ATOM 992 CG PRO A 70 -8.243 -4.623 0.847 1.00 0.48 C ATOM 993 CD PRO A 70 -7.449 -5.522 -0.086 1.00 0.41 C ATOM 0 HA PRO A 70 -6.983 -6.919 2.852 1.00 0.46 H new ATOM 0 HB2 PRO A 70 -9.176 -5.233 2.703 1.00 0.50 H new ATOM 0 HB3 PRO A 70 -7.531 -4.660 2.892 1.00 0.50 H new ATOM 0 HG2 PRO A 70 -9.275 -4.537 0.507 1.00 0.48 H new ATOM 0 HG3 PRO A 70 -7.825 -3.617 0.855 1.00 0.48 H new ATOM 0 HD2 PRO A 70 -8.054 -5.848 -0.932 1.00 0.41 H new ATOM 0 HD3 PRO A 70 -6.583 -5.002 -0.495 1.00 0.41 H new ATOM 1001 N ALA A 71 -8.787 -8.430 3.240 1.00 0.63 N ATOM 1002 CA ALA A 71 -9.782 -9.467 3.451 1.00 0.74 C ATOM 1003 C ALA A 71 -11.172 -8.830 3.512 1.00 0.83 C ATOM 1004 O ALA A 71 -12.142 -9.400 3.015 1.00 1.03 O ATOM 1005 CB ALA A 71 -9.443 -10.249 4.721 1.00 0.83 C ATOM 0 H ALA A 71 -8.117 -8.321 4.001 1.00 0.63 H new ATOM 0 HA ALA A 71 -9.780 -10.175 2.622 1.00 0.74 H new ATOM 0 HB1 ALA A 71 -10.190 -11.027 4.879 1.00 0.83 H new ATOM 0 HB2 ALA A 71 -8.459 -10.706 4.615 1.00 0.83 H new ATOM 0 HB3 ALA A 71 -9.438 -9.572 5.575 1.00 0.83 H new ATOM 1011 N SER A 72 -11.223 -7.657 4.125 1.00 0.79 N ATOM 1012 CA SER A 72 -12.478 -6.936 4.259 1.00 0.88 C ATOM 1013 C SER A 72 -12.641 -5.950 3.099 1.00 0.80 C ATOM 1014 O SER A 72 -11.654 -5.444 2.568 1.00 0.69 O ATOM 1015 CB SER A 72 -12.551 -6.198 5.597 1.00 0.98 C ATOM 1016 OG SER A 72 -13.660 -6.625 6.382 1.00 1.17 O ATOM 0 H SER A 72 -10.416 -7.187 4.535 1.00 0.79 H new ATOM 0 HA SER A 72 -13.292 -7.660 4.230 1.00 0.88 H new ATOM 0 HB2 SER A 72 -11.628 -6.363 6.153 1.00 0.98 H new ATOM 0 HB3 SER A 72 -12.626 -5.126 5.416 1.00 0.98 H new ATOM 0 HG SER A 72 -13.671 -6.132 7.229 1.00 1.17 H new ATOM 1022 N PRO A 73 -13.926 -5.701 2.732 1.00 0.87 N ATOM 1023 CA PRO A 73 -14.230 -4.786 1.646 1.00 0.84 C ATOM 1024 C PRO A 73 -14.038 -3.333 2.084 1.00 0.78 C ATOM 1025 O PRO A 73 -14.577 -2.912 3.107 1.00 0.90 O ATOM 1026 CB PRO A 73 -15.664 -5.104 1.254 1.00 0.98 C ATOM 1027 CG PRO A 73 -16.261 -5.855 2.432 1.00 1.08 C ATOM 1028 CD PRO A 73 -15.120 -6.284 3.339 1.00 1.02 C ATOM 0 HA PRO A 73 -13.562 -4.908 0.793 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -16.224 -4.192 1.048 1.00 0.98 H new ATOM 0 HB3 PRO A 73 -15.696 -5.709 0.348 1.00 0.98 H new ATOM 0 HG2 PRO A 73 -16.961 -5.220 2.974 1.00 1.08 H new ATOM 0 HG3 PRO A 73 -16.821 -6.724 2.086 1.00 1.08 H new ATOM 0 HD2 PRO A 73 -15.265 -5.921 4.357 1.00 1.02 H new ATOM 0 HD3 PRO A 73 -15.046 -7.370 3.396 1.00 1.02 H new ATOM 1036 N LEU A 74 -13.268 -2.606 1.287 1.00 0.66 N ATOM 1037 CA LEU A 74 -12.998 -1.208 1.580 1.00 0.63 C ATOM 1038 C LEU A 74 -14.270 -0.389 1.354 1.00 0.65 C ATOM 1039 O LEU A 74 -14.772 -0.311 0.234 1.00 0.67 O ATOM 1040 CB LEU A 74 -11.797 -0.714 0.772 1.00 0.60 C ATOM 1041 CG LEU A 74 -10.496 -1.497 0.957 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.502 -1.183 -0.163 1.00 0.63 C ATOM 1043 CD2 LEU A 74 -9.896 -1.246 2.342 1.00 0.63 C ATOM 0 H LEU A 74 -12.823 -2.958 0.440 1.00 0.66 H new ATOM 0 HA LEU A 74 -12.721 -1.085 2.627 1.00 0.63 H new ATOM 0 HB2 LEU A 74 -12.063 -0.734 -0.285 1.00 0.60 H new ATOM 0 HB3 LEU A 74 -11.611 0.328 1.034 1.00 0.60 H new ATOM 0 HG LEU A 74 -10.727 -2.560 0.894 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.586 -1.753 -0.007 1.00 0.63 H new ATOM 0 HD12 LEU A 74 -9.939 -1.454 -1.124 1.00 0.63 H new ATOM 0 HD13 LEU A 74 -9.272 -0.118 -0.157 1.00 0.63 H new ATOM 0 HD21 LEU A 74 -8.972 -1.815 2.447 1.00 0.63 H new ATOM 0 HD22 LEU A 74 -9.683 -0.183 2.459 1.00 0.63 H new ATOM 0 HD23 LEU A 74 -10.605 -1.561 3.108 1.00 0.63 H new ATOM 1055 N THR A 75 -14.755 0.202 2.435 1.00 0.68 N ATOM 1056 CA THR A 75 -15.959 1.013 2.369 1.00 0.73 C ATOM 1057 C THR A 75 -15.607 2.465 2.041 1.00 0.72 C ATOM 1058 O THR A 75 -14.432 2.824 1.976 1.00 0.75 O ATOM 1059 CB THR A 75 -16.709 0.855 3.694 1.00 0.79 C ATOM 1060 OG1 THR A 75 -15.779 1.304 4.675 1.00 0.85 O ATOM 1061 CG2 THR A 75 -16.954 -0.612 4.056 1.00 0.85 C ATOM 0 H THR A 75 -14.336 0.136 3.363 1.00 0.68 H new ATOM 0 HA THR A 75 -16.615 0.681 1.565 1.00 0.73 H new ATOM 0 HB THR A 75 -17.663 1.379 3.636 1.00 0.79 H new ATOM 0 HG1 THR A 75 -15.054 1.798 4.237 1.00 0.85 H new ATOM 0 HG21 THR A 75 -17.489 -0.668 5.004 1.00 0.85 H new ATOM 0 HG22 THR A 75 -17.549 -1.085 3.275 1.00 0.85 H new ATOM 0 HG23 THR A 75 -15.999 -1.129 4.147 1.00 0.85 H new ATOM 1069 N ALA A 76 -16.647 3.262 1.842 1.00 0.70 N ATOM 1070 CA ALA A 76 -16.462 4.668 1.522 1.00 0.71 C ATOM 1071 C ALA A 76 -15.549 5.309 2.569 1.00 0.71 C ATOM 1072 O ALA A 76 -15.126 4.649 3.517 1.00 0.85 O ATOM 1073 CB ALA A 76 -17.825 5.355 1.437 1.00 0.75 C ATOM 0 H ALA A 76 -17.620 2.961 1.896 1.00 0.70 H new ATOM 0 HA ALA A 76 -15.979 4.781 0.551 1.00 0.71 H new ATOM 0 HB1 ALA A 76 -17.687 6.409 1.197 1.00 0.75 H new ATOM 0 HB2 ALA A 76 -18.423 4.881 0.659 1.00 0.75 H new ATOM 0 HB3 ALA A 76 -18.338 5.265 2.394 1.00 0.75 H new ATOM 1079 N GLY A 77 -15.273 6.589 2.363 1.00 0.76 N ATOM 1080 CA GLY A 77 -14.419 7.326 3.277 1.00 0.80 C ATOM 1081 C GLY A 77 -13.066 7.637 2.633 1.00 0.76 C ATOM 1082 O GLY A 77 -12.980 7.834 1.422 1.00 0.75 O ATOM 0 H GLY A 77 -15.626 7.134 1.576 1.00 0.76 H new ATOM 0 HA2 GLY A 77 -14.909 8.255 3.569 1.00 0.80 H new ATOM 0 HA3 GLY A 77 -14.268 6.746 4.187 1.00 0.80 H new ATOM 1086 N THR A 78 -12.041 7.671 3.473 1.00 0.79 N ATOM 1087 CA THR A 78 -10.697 7.955 3.001 1.00 0.77 C ATOM 1088 C THR A 78 -9.679 7.077 3.733 1.00 0.72 C ATOM 1089 O THR A 78 -9.829 6.806 4.923 1.00 0.81 O ATOM 1090 CB THR A 78 -10.441 9.453 3.172 1.00 0.85 C ATOM 1091 OG1 THR A 78 -11.436 10.070 2.360 1.00 1.10 O ATOM 1092 CG2 THR A 78 -9.119 9.897 2.543 1.00 0.94 C ATOM 0 H THR A 78 -12.115 7.507 4.477 1.00 0.79 H new ATOM 0 HA THR A 78 -10.590 7.712 1.944 1.00 0.77 H new ATOM 0 HB THR A 78 -10.439 9.702 4.233 1.00 0.85 H new ATOM 0 HG1 THR A 78 -11.791 10.859 2.820 1.00 1.10 H new ATOM 0 HG21 THR A 78 -8.986 10.968 2.693 1.00 0.94 H new ATOM 0 HG22 THR A 78 -8.294 9.360 3.012 1.00 0.94 H new ATOM 0 HG23 THR A 78 -9.133 9.679 1.475 1.00 0.94 H new ATOM 1100 N TYR A 79 -8.664 6.658 2.991 1.00 0.62 N ATOM 1101 CA TYR A 79 -7.623 5.816 3.555 1.00 0.58 C ATOM 1102 C TYR A 79 -6.261 6.144 2.937 1.00 0.59 C ATOM 1103 O TYR A 79 -6.188 6.758 1.875 1.00 0.60 O ATOM 1104 CB TYR A 79 -8.000 4.378 3.194 1.00 0.53 C ATOM 1105 CG TYR A 79 -9.464 4.031 3.474 1.00 0.53 C ATOM 1106 CD1 TYR A 79 -10.467 4.616 2.728 1.00 1.81 C ATOM 1107 CD2 TYR A 79 -9.781 3.132 4.472 1.00 1.65 C ATOM 1108 CE1 TYR A 79 -11.844 4.290 2.991 1.00 1.88 C ATOM 1109 CE2 TYR A 79 -11.159 2.806 4.734 1.00 1.62 C ATOM 1110 CZ TYR A 79 -12.122 3.400 3.981 1.00 0.68 C ATOM 1111 OH TYR A 79 -13.423 3.092 4.229 1.00 0.80 O ATOM 0 H TYR A 79 -8.541 6.886 2.004 1.00 0.62 H new ATOM 0 HA TYR A 79 -7.546 5.969 4.631 1.00 0.58 H new ATOM 0 HB2 TYR A 79 -7.794 4.214 2.136 1.00 0.53 H new ATOM 0 HB3 TYR A 79 -7.362 3.694 3.753 1.00 0.53 H new ATOM 0 HD1 TYR A 79 -10.219 5.319 1.946 1.00 1.81 H new ATOM 0 HD2 TYR A 79 -8.997 2.674 5.056 1.00 1.65 H new ATOM 0 HE1 TYR A 79 -12.638 4.742 2.415 1.00 1.88 H new ATOM 0 HE2 TYR A 79 -11.422 2.105 5.512 1.00 1.62 H new ATOM 0 HH TYR A 79 -13.986 3.446 3.509 1.00 0.80 H new ATOM 1121 N LYS A 80 -5.215 5.717 3.631 1.00 0.64 N ATOM 1122 CA LYS A 80 -3.860 5.956 3.165 1.00 0.69 C ATOM 1123 C LYS A 80 -3.025 4.691 3.367 1.00 0.70 C ATOM 1124 O LYS A 80 -2.782 4.277 4.499 1.00 0.74 O ATOM 1125 CB LYS A 80 -3.272 7.197 3.842 1.00 0.80 C ATOM 1126 CG LYS A 80 -1.783 7.342 3.519 1.00 1.05 C ATOM 1127 CD LYS A 80 -0.946 7.375 4.799 1.00 1.81 C ATOM 1128 CE LYS A 80 0.207 8.374 4.675 1.00 1.97 C ATOM 1129 NZ LYS A 80 -0.264 9.746 4.974 1.00 2.16 N ATOM 0 H LYS A 80 -5.279 5.207 4.512 1.00 0.64 H new ATOM 0 HA LYS A 80 -3.857 6.172 2.097 1.00 0.69 H new ATOM 0 HB2 LYS A 80 -3.808 8.086 3.510 1.00 0.80 H new ATOM 0 HB3 LYS A 80 -3.409 7.127 4.921 1.00 0.80 H new ATOM 0 HG2 LYS A 80 -1.461 6.512 2.891 1.00 1.05 H new ATOM 0 HG3 LYS A 80 -1.618 8.256 2.949 1.00 1.05 H new ATOM 0 HD2 LYS A 80 -1.578 7.647 5.644 1.00 1.81 H new ATOM 0 HD3 LYS A 80 -0.550 6.381 5.004 1.00 1.81 H new ATOM 0 HE2 LYS A 80 1.009 8.100 5.361 1.00 1.97 H new ATOM 0 HE3 LYS A 80 0.622 8.337 3.668 1.00 1.97 H new ATOM 0 HZ1 LYS A 80 0.530 10.412 4.886 1.00 2.16 H new ATOM 0 HZ2 LYS A 80 -1.014 10.010 4.303 1.00 2.16 H new ATOM 0 HZ3 LYS A 80 -0.639 9.781 5.943 1.00 2.16 H new ATOM 1143 N VAL A 81 -2.609 4.111 2.251 1.00 0.68 N ATOM 1144 CA VAL A 81 -1.806 2.900 2.291 1.00 0.70 C ATOM 1145 C VAL A 81 -0.331 3.277 2.452 1.00 0.83 C ATOM 1146 O VAL A 81 0.087 4.356 2.036 1.00 1.62 O ATOM 1147 CB VAL A 81 -2.072 2.054 1.045 1.00 0.65 C ATOM 1148 CG1 VAL A 81 -1.332 0.717 1.120 1.00 0.78 C ATOM 1149 CG2 VAL A 81 -3.573 1.838 0.840 1.00 0.60 C ATOM 0 H VAL A 81 -2.813 4.457 1.313 1.00 0.68 H new ATOM 0 HA VAL A 81 -2.082 2.287 3.149 1.00 0.70 H new ATOM 0 HB VAL A 81 -1.690 2.600 0.182 1.00 0.65 H new ATOM 0 HG11 VAL A 81 -1.539 0.136 0.221 1.00 0.78 H new ATOM 0 HG12 VAL A 81 -0.260 0.898 1.196 1.00 0.78 H new ATOM 0 HG13 VAL A 81 -1.669 0.163 1.996 1.00 0.78 H new ATOM 0 HG21 VAL A 81 -3.735 1.234 -0.052 1.00 0.60 H new ATOM 0 HG22 VAL A 81 -3.988 1.324 1.707 1.00 0.60 H new ATOM 0 HG23 VAL A 81 -4.066 2.802 0.719 1.00 0.60 H new ATOM 1159 N ASP A 82 0.416 2.367 3.059 1.00 0.41 N ATOM 1160 CA ASP A 82 1.834 2.589 3.281 1.00 0.42 C ATOM 1161 C ASP A 82 2.610 1.323 2.911 1.00 0.40 C ATOM 1162 O ASP A 82 2.340 0.247 3.443 1.00 0.49 O ATOM 1163 CB ASP A 82 2.119 2.904 4.751 1.00 0.51 C ATOM 1164 CG ASP A 82 1.552 4.235 5.249 1.00 0.61 C ATOM 1165 OD1 ASP A 82 0.407 4.306 5.719 1.00 1.64 O ATOM 1166 OD2 ASP A 82 2.351 5.243 5.137 1.00 1.93 O ATOM 0 H ASP A 82 0.065 1.474 3.404 1.00 0.41 H new ATOM 0 HA ASP A 82 2.142 3.433 2.664 1.00 0.42 H new ATOM 0 HB2 ASP A 82 1.712 2.101 5.365 1.00 0.51 H new ATOM 0 HB3 ASP A 82 3.198 2.906 4.904 1.00 0.51 H new ATOM 1171 N TRP A 83 3.557 1.493 2.000 1.00 0.38 N ATOM 1172 CA TRP A 83 4.372 0.377 1.552 1.00 0.39 C ATOM 1173 C TRP A 83 5.826 0.672 1.930 1.00 0.45 C ATOM 1174 O TRP A 83 6.199 1.828 2.122 1.00 0.47 O ATOM 1175 CB TRP A 83 4.184 0.126 0.055 1.00 0.40 C ATOM 1176 CG TRP A 83 4.318 1.382 -0.809 1.00 0.39 C ATOM 1177 CD1 TRP A 83 3.338 2.133 -1.331 1.00 0.42 C ATOM 1178 CD2 TRP A 83 5.548 2.008 -1.231 1.00 0.42 C ATOM 1179 NE1 TRP A 83 3.845 3.192 -2.057 1.00 0.47 N ATOM 1180 CE2 TRP A 83 5.231 3.114 -1.994 1.00 0.48 C ATOM 1181 CE3 TRP A 83 6.883 1.652 -0.977 1.00 0.45 C ATOM 1182 CZ2 TRP A 83 6.195 3.953 -2.565 1.00 0.56 C ATOM 1183 CZ3 TRP A 83 7.835 2.501 -1.554 1.00 0.53 C ATOM 1184 CH2 TRP A 83 7.533 3.618 -2.325 1.00 0.58 C ATOM 0 H TRP A 83 3.778 2.386 1.560 1.00 0.38 H new ATOM 0 HA TRP A 83 4.064 -0.546 2.043 1.00 0.39 H new ATOM 0 HB2 TRP A 83 4.918 -0.609 -0.275 1.00 0.40 H new ATOM 0 HB3 TRP A 83 3.199 -0.312 -0.109 1.00 0.40 H new ATOM 0 HD1 TRP A 83 2.284 1.935 -1.200 1.00 0.42 H new ATOM 0 HE1 TRP A 83 3.302 3.901 -2.549 1.00 0.47 H new ATOM 0 HE3 TRP A 83 7.154 0.791 -0.383 1.00 0.45 H new ATOM 0 HZ2 TRP A 83 5.921 4.813 -3.159 1.00 0.56 H new ATOM 0 HZ3 TRP A 83 8.877 2.272 -1.389 1.00 0.53 H new ATOM 0 HH2 TRP A 83 8.327 4.224 -2.737 1.00 0.58 H new ATOM 1195 N ARG A 84 6.607 -0.394 2.026 1.00 0.52 N ATOM 1196 CA ARG A 84 8.010 -0.264 2.378 1.00 0.59 C ATOM 1197 C ARG A 84 8.840 -1.325 1.652 1.00 0.62 C ATOM 1198 O ARG A 84 8.663 -2.520 1.880 1.00 0.72 O ATOM 1199 CB ARG A 84 8.216 -0.411 3.887 1.00 0.66 C ATOM 1200 CG ARG A 84 8.280 0.958 4.568 1.00 0.77 C ATOM 1201 CD ARG A 84 7.146 1.120 5.582 1.00 1.17 C ATOM 1202 NE ARG A 84 7.622 0.756 6.935 1.00 1.57 N ATOM 1203 CZ ARG A 84 6.999 1.114 8.078 1.00 1.94 C ATOM 1204 NH1 ARG A 84 5.867 1.849 8.040 1.00 2.81 N ATOM 1205 NH2 ARG A 84 7.512 0.732 9.233 1.00 3.00 N ATOM 0 H ARG A 84 6.294 -1.352 1.866 1.00 0.52 H new ATOM 0 HA ARG A 84 8.337 0.730 2.073 1.00 0.59 H new ATOM 0 HB2 ARG A 84 7.401 -0.996 4.314 1.00 0.66 H new ATOM 0 HB3 ARG A 84 9.137 -0.961 4.080 1.00 0.66 H new ATOM 0 HG2 ARG A 84 9.241 1.074 5.070 1.00 0.77 H new ATOM 0 HG3 ARG A 84 8.216 1.745 3.817 1.00 0.77 H new ATOM 0 HD2 ARG A 84 6.788 2.149 5.578 1.00 1.17 H new ATOM 0 HD3 ARG A 84 6.303 0.488 5.302 1.00 1.17 H new ATOM 0 HE ARG A 84 8.474 0.200 7.009 1.00 1.57 H new ATOM 0 HH11 ARG A 84 5.476 2.138 7.143 1.00 2.81 H new ATOM 0 HH12 ARG A 84 5.402 2.115 8.908 1.00 2.81 H new ATOM 0 HH21 ARG A 84 8.366 0.175 9.252 1.00 3.00 H new ATOM 0 HH22 ARG A 84 7.054 0.994 10.106 1.00 3.00 H new ATOM 1219 N ALA A 85 9.727 -0.849 0.791 1.00 0.64 N ATOM 1220 CA ALA A 85 10.585 -1.741 0.029 1.00 0.71 C ATOM 1221 C ALA A 85 11.979 -1.762 0.660 1.00 0.77 C ATOM 1222 O ALA A 85 12.467 -0.736 1.131 1.00 0.77 O ATOM 1223 CB ALA A 85 10.613 -1.297 -1.434 1.00 0.75 C ATOM 0 H ALA A 85 9.870 0.143 0.604 1.00 0.64 H new ATOM 0 HA ALA A 85 10.197 -2.759 0.052 1.00 0.71 H new ATOM 0 HB1 ALA A 85 11.257 -1.966 -2.005 1.00 0.75 H new ATOM 0 HB2 ALA A 85 9.603 -1.328 -1.843 1.00 0.75 H new ATOM 0 HB3 ALA A 85 10.999 -0.280 -1.498 1.00 0.75 H new ATOM 1229 N VAL A 86 12.581 -2.943 0.647 1.00 1.13 N ATOM 1230 CA VAL A 86 13.909 -3.111 1.211 1.00 1.25 C ATOM 1231 C VAL A 86 14.843 -3.688 0.144 1.00 1.43 C ATOM 1232 O VAL A 86 14.749 -4.866 -0.196 1.00 1.93 O ATOM 1233 CB VAL A 86 13.838 -3.974 2.472 1.00 1.54 C ATOM 1234 CG1 VAL A 86 15.233 -4.220 3.049 1.00 2.36 C ATOM 1235 CG2 VAL A 86 12.916 -3.341 3.517 1.00 2.33 C ATOM 0 H VAL A 86 12.173 -3.792 0.255 1.00 1.13 H new ATOM 0 HA VAL A 86 14.318 -2.148 1.515 1.00 1.25 H new ATOM 0 HB VAL A 86 13.417 -4.940 2.193 1.00 1.54 H new ATOM 0 HG11 VAL A 86 15.153 -4.836 3.945 1.00 2.36 H new ATOM 0 HG12 VAL A 86 15.847 -4.733 2.309 1.00 2.36 H new ATOM 0 HG13 VAL A 86 15.694 -3.266 3.305 1.00 2.36 H new ATOM 0 HG21 VAL A 86 12.883 -3.974 4.404 1.00 2.33 H new ATOM 0 HG22 VAL A 86 13.296 -2.356 3.788 1.00 2.33 H new ATOM 0 HG23 VAL A 86 11.912 -3.242 3.104 1.00 2.33 H new ATOM 1245 N SER A 87 15.722 -2.832 -0.353 1.00 1.51 N ATOM 1246 CA SER A 87 16.671 -3.242 -1.374 1.00 1.82 C ATOM 1247 C SER A 87 17.474 -4.450 -0.887 1.00 1.76 C ATOM 1248 O SER A 87 17.274 -4.923 0.230 1.00 2.60 O ATOM 1249 CB SER A 87 17.613 -2.093 -1.744 1.00 2.32 C ATOM 1250 OG SER A 87 18.672 -1.947 -0.803 1.00 3.62 O ATOM 0 H SER A 87 15.798 -1.856 -0.068 1.00 1.51 H new ATOM 0 HA SER A 87 16.113 -3.521 -2.268 1.00 1.82 H new ATOM 0 HB2 SER A 87 18.031 -2.271 -2.735 1.00 2.32 H new ATOM 0 HB3 SER A 87 17.047 -1.163 -1.799 1.00 2.32 H new ATOM 0 HG SER A 87 19.252 -1.205 -1.075 1.00 3.62 H new ATOM 1256 N SER A 88 18.366 -4.914 -1.750 1.00 2.34 N ATOM 1257 CA SER A 88 19.199 -6.058 -1.422 1.00 2.81 C ATOM 1258 C SER A 88 20.524 -5.585 -0.820 1.00 3.09 C ATOM 1259 O SER A 88 21.588 -6.088 -1.179 1.00 4.33 O ATOM 1260 CB SER A 88 19.456 -6.925 -2.657 1.00 3.69 C ATOM 1261 OG SER A 88 20.365 -6.304 -3.563 1.00 4.27 O ATOM 0 H SER A 88 18.530 -4.518 -2.676 1.00 2.34 H new ATOM 0 HA SER A 88 18.671 -6.667 -0.688 1.00 2.81 H new ATOM 0 HB2 SER A 88 19.856 -7.890 -2.346 1.00 3.69 H new ATOM 0 HB3 SER A 88 18.512 -7.120 -3.166 1.00 3.69 H new ATOM 0 HG SER A 88 21.239 -6.201 -3.131 1.00 4.27 H new ATOM 1267 N ASP A 89 20.416 -4.623 0.085 1.00 2.65 N ATOM 1268 CA ASP A 89 21.592 -4.077 0.741 1.00 3.11 C ATOM 1269 C ASP A 89 21.198 -3.533 2.115 1.00 2.95 C ATOM 1270 O ASP A 89 21.528 -4.129 3.141 1.00 3.97 O ATOM 1271 CB ASP A 89 22.188 -2.925 -0.070 1.00 3.68 C ATOM 1272 CG ASP A 89 23.370 -2.213 0.591 1.00 4.32 C ATOM 1273 OD1 ASP A 89 23.360 -2.135 1.839 1.00 4.59 O ATOM 1274 OD2 ASP A 89 24.257 -1.762 -0.166 1.00 5.31 O ATOM 0 H ASP A 89 19.532 -4.208 0.379 1.00 2.65 H new ATOM 0 HA ASP A 89 22.329 -4.875 0.832 1.00 3.11 H new ATOM 0 HB2 ASP A 89 22.510 -3.310 -1.038 1.00 3.68 H new ATOM 0 HB3 ASP A 89 21.404 -2.193 -0.263 1.00 3.68 H new ATOM 1279 N THR A 90 20.498 -2.409 2.093 1.00 2.76 N ATOM 1280 CA THR A 90 20.056 -1.779 3.326 1.00 3.04 C ATOM 1281 C THR A 90 19.157 -0.580 3.019 1.00 2.52 C ATOM 1282 O THR A 90 18.123 -0.393 3.660 1.00 3.19 O ATOM 1283 CB THR A 90 21.298 -1.414 4.142 1.00 3.77 C ATOM 1284 OG1 THR A 90 20.783 -1.091 5.432 1.00 4.49 O ATOM 1285 CG2 THR A 90 21.951 -0.115 3.666 1.00 4.01 C ATOM 0 H THR A 90 20.226 -1.918 1.241 1.00 2.76 H new ATOM 0 HA THR A 90 19.446 -2.459 3.921 1.00 3.04 H new ATOM 0 HB THR A 90 22.022 -2.227 4.084 1.00 3.77 H new ATOM 0 HG1 THR A 90 21.522 -0.844 6.027 1.00 4.49 H new ATOM 0 HG21 THR A 90 22.827 0.097 4.279 1.00 4.01 H new ATOM 0 HG22 THR A 90 22.253 -0.220 2.624 1.00 4.01 H new ATOM 0 HG23 THR A 90 21.238 0.705 3.756 1.00 4.01 H new ATOM 1293 N HIS A 91 19.583 0.202 2.038 1.00 2.67 N ATOM 1294 CA HIS A 91 18.829 1.379 1.638 1.00 2.72 C ATOM 1295 C HIS A 91 17.332 1.065 1.673 1.00 1.87 C ATOM 1296 O HIS A 91 16.799 0.460 0.745 1.00 2.00 O ATOM 1297 CB HIS A 91 19.296 1.885 0.272 1.00 3.91 C ATOM 1298 CG HIS A 91 19.049 3.357 0.045 1.00 4.33 C ATOM 1299 ND1 HIS A 91 18.672 4.220 1.060 1.00 4.17 N ATOM 1300 CD2 HIS A 91 19.129 4.110 -1.090 1.00 5.63 C ATOM 1301 CE1 HIS A 91 18.534 5.433 0.548 1.00 5.16 C ATOM 1302 NE2 HIS A 91 18.817 5.363 -0.784 1.00 5.96 N ATOM 0 H HIS A 91 20.440 0.044 1.508 1.00 2.67 H new ATOM 0 HA HIS A 91 19.012 2.190 2.343 1.00 2.72 H new ATOM 0 HB2 HIS A 91 20.363 1.686 0.167 1.00 3.91 H new ATOM 0 HB3 HIS A 91 18.788 1.317 -0.507 1.00 3.91 H new ATOM 0 HD2 HIS A 91 19.400 3.748 -2.071 1.00 5.63 H new ATOM 0 HE1 HIS A 91 18.248 6.322 1.090 1.00 5.16 H new ATOM 0 HE2 HIS A 91 18.793 6.145 -1.438 1.00 5.96 H new ATOM 1310 N PRO A 92 16.679 1.503 2.783 1.00 1.47 N ATOM 1311 CA PRO A 92 15.254 1.275 2.953 1.00 0.95 C ATOM 1312 C PRO A 92 14.439 2.215 2.061 1.00 0.87 C ATOM 1313 O PRO A 92 14.925 3.271 1.659 1.00 1.40 O ATOM 1314 CB PRO A 92 14.994 1.489 4.435 1.00 1.63 C ATOM 1315 CG PRO A 92 16.184 2.278 4.957 1.00 2.27 C ATOM 1316 CD PRO A 92 17.278 2.222 3.903 1.00 2.17 C ATOM 0 HA PRO A 92 14.949 0.273 2.650 1.00 0.95 H new ATOM 0 HB2 PRO A 92 14.064 2.035 4.594 1.00 1.63 H new ATOM 0 HB3 PRO A 92 14.898 0.537 4.956 1.00 1.63 H new ATOM 0 HG2 PRO A 92 15.899 3.311 5.157 1.00 2.27 H new ATOM 0 HG3 PRO A 92 16.538 1.857 5.898 1.00 2.27 H new ATOM 0 HD2 PRO A 92 17.594 3.222 3.607 1.00 2.17 H new ATOM 0 HD3 PRO A 92 18.162 1.706 4.277 1.00 2.17 H new ATOM 1324 N ILE A 93 13.214 1.797 1.778 1.00 0.66 N ATOM 1325 CA ILE A 93 12.328 2.588 0.942 1.00 0.67 C ATOM 1326 C ILE A 93 10.924 2.587 1.552 1.00 0.65 C ATOM 1327 O ILE A 93 10.383 1.530 1.872 1.00 1.00 O ATOM 1328 CB ILE A 93 12.370 2.091 -0.504 1.00 0.86 C ATOM 1329 CG1 ILE A 93 13.788 2.182 -1.074 1.00 1.31 C ATOM 1330 CG2 ILE A 93 11.355 2.839 -1.371 1.00 1.48 C ATOM 1331 CD1 ILE A 93 14.229 3.641 -1.213 1.00 2.57 C ATOM 0 H ILE A 93 12.814 0.920 2.113 1.00 0.66 H new ATOM 0 HA ILE A 93 12.661 3.625 0.908 1.00 0.67 H new ATOM 0 HB ILE A 93 12.086 1.039 -0.512 1.00 0.86 H new ATOM 0 HG12 ILE A 93 14.481 1.649 -0.423 1.00 1.31 H new ATOM 0 HG13 ILE A 93 13.825 1.693 -2.047 1.00 1.31 H new ATOM 0 HG21 ILE A 93 11.406 2.466 -2.394 1.00 1.48 H new ATOM 0 HG22 ILE A 93 10.352 2.680 -0.976 1.00 1.48 H new ATOM 0 HG23 ILE A 93 11.584 3.905 -1.361 1.00 1.48 H new ATOM 0 HD11 ILE A 93 15.240 3.678 -1.620 1.00 2.57 H new ATOM 0 HD12 ILE A 93 13.548 4.165 -1.884 1.00 2.57 H new ATOM 0 HD13 ILE A 93 14.214 4.120 -0.234 1.00 2.57 H new ATOM 1343 N THR A 94 10.375 3.785 1.694 1.00 0.55 N ATOM 1344 CA THR A 94 9.045 3.936 2.258 1.00 0.53 C ATOM 1345 C THR A 94 8.185 4.834 1.367 1.00 0.55 C ATOM 1346 O THR A 94 8.697 5.752 0.727 1.00 0.70 O ATOM 1347 CB THR A 94 9.195 4.462 3.688 1.00 0.61 C ATOM 1348 OG1 THR A 94 9.803 5.741 3.524 1.00 0.68 O ATOM 1349 CG2 THR A 94 10.217 3.665 4.501 1.00 0.72 C ATOM 0 H THR A 94 10.827 4.660 1.428 1.00 0.55 H new ATOM 0 HA THR A 94 8.523 2.980 2.301 1.00 0.53 H new ATOM 0 HB THR A 94 8.228 4.430 4.190 1.00 0.61 H new ATOM 0 HG1 THR A 94 9.936 6.155 4.402 1.00 0.68 H new ATOM 0 HG21 THR A 94 10.285 4.079 5.507 1.00 0.72 H new ATOM 0 HG22 THR A 94 9.903 2.623 4.558 1.00 0.72 H new ATOM 0 HG23 THR A 94 11.192 3.724 4.018 1.00 0.72 H new ATOM 1357 N GLY A 95 6.894 4.538 1.353 1.00 0.52 N ATOM 1358 CA GLY A 95 5.959 5.308 0.551 1.00 0.59 C ATOM 1359 C GLY A 95 4.515 5.032 0.976 1.00 0.51 C ATOM 1360 O GLY A 95 4.233 4.012 1.602 1.00 0.48 O ATOM 0 H GLY A 95 6.473 3.776 1.884 1.00 0.52 H new ATOM 0 HA2 GLY A 95 6.175 6.371 0.654 1.00 0.59 H new ATOM 0 HA3 GLY A 95 6.086 5.058 -0.502 1.00 0.59 H new ATOM 1364 N SER A 96 3.639 5.961 0.619 1.00 0.60 N ATOM 1365 CA SER A 96 2.232 5.831 0.957 1.00 0.57 C ATOM 1366 C SER A 96 1.368 6.251 -0.233 1.00 0.55 C ATOM 1367 O SER A 96 1.800 7.042 -1.071 1.00 0.59 O ATOM 1368 CB SER A 96 1.881 6.667 2.189 1.00 0.71 C ATOM 1369 OG SER A 96 2.995 6.819 3.066 1.00 0.97 O ATOM 0 H SER A 96 3.877 6.806 0.099 1.00 0.60 H new ATOM 0 HA SER A 96 2.032 4.786 1.193 1.00 0.57 H new ATOM 0 HB2 SER A 96 1.532 7.650 1.873 1.00 0.71 H new ATOM 0 HB3 SER A 96 1.059 6.194 2.726 1.00 0.71 H new ATOM 0 HG SER A 96 2.766 6.464 3.950 1.00 0.97 H new ATOM 1375 N VAL A 97 0.162 5.704 -0.271 1.00 0.52 N ATOM 1376 CA VAL A 97 -0.766 6.011 -1.346 1.00 0.50 C ATOM 1377 C VAL A 97 -2.132 6.358 -0.749 1.00 0.51 C ATOM 1378 O VAL A 97 -2.813 5.491 -0.203 1.00 0.57 O ATOM 1379 CB VAL A 97 -0.825 4.847 -2.337 1.00 0.50 C ATOM 1380 CG1 VAL A 97 -1.365 5.308 -3.693 1.00 0.48 C ATOM 1381 CG2 VAL A 97 0.547 4.187 -2.490 1.00 0.69 C ATOM 0 H VAL A 97 -0.194 5.050 0.426 1.00 0.52 H new ATOM 0 HA VAL A 97 -0.425 6.880 -1.908 1.00 0.50 H new ATOM 0 HB VAL A 97 -1.513 4.102 -1.938 1.00 0.50 H new ATOM 0 HG11 VAL A 97 -1.397 4.461 -4.379 1.00 0.48 H new ATOM 0 HG12 VAL A 97 -2.370 5.710 -3.567 1.00 0.48 H new ATOM 0 HG13 VAL A 97 -0.713 6.081 -4.100 1.00 0.48 H new ATOM 0 HG21 VAL A 97 0.477 3.363 -3.200 1.00 0.69 H new ATOM 0 HG22 VAL A 97 1.265 4.921 -2.856 1.00 0.69 H new ATOM 0 HG23 VAL A 97 0.877 3.806 -1.524 1.00 0.69 H new ATOM 1391 N THR A 98 -2.492 7.626 -0.874 1.00 0.48 N ATOM 1392 CA THR A 98 -3.765 8.098 -0.355 1.00 0.50 C ATOM 1393 C THR A 98 -4.854 7.977 -1.422 1.00 0.47 C ATOM 1394 O THR A 98 -4.599 8.201 -2.604 1.00 0.45 O ATOM 1395 CB THR A 98 -3.568 9.528 0.152 1.00 0.53 C ATOM 1396 OG1 THR A 98 -4.793 9.834 0.813 1.00 0.62 O ATOM 1397 CG2 THR A 98 -3.493 10.548 -0.986 1.00 0.44 C ATOM 0 H THR A 98 -1.925 8.342 -1.327 1.00 0.48 H new ATOM 0 HA THR A 98 -4.103 7.485 0.480 1.00 0.50 H new ATOM 0 HB THR A 98 -2.655 9.580 0.746 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.751 10.744 1.174 1.00 0.62 H new ATOM 0 HG21 THR A 98 -3.353 11.546 -0.571 1.00 0.44 H new ATOM 0 HG22 THR A 98 -2.654 10.305 -1.638 1.00 0.44 H new ATOM 0 HG23 THR A 98 -4.419 10.521 -1.561 1.00 0.44 H new ATOM 1405 N PHE A 99 -6.047 7.623 -0.966 1.00 0.51 N ATOM 1406 CA PHE A 99 -7.177 7.469 -1.866 1.00 0.50 C ATOM 1407 C PHE A 99 -8.501 7.608 -1.114 1.00 0.50 C ATOM 1408 O PHE A 99 -8.591 7.256 0.062 1.00 0.47 O ATOM 1409 CB PHE A 99 -7.088 6.062 -2.461 1.00 0.45 C ATOM 1410 CG PHE A 99 -7.521 4.953 -1.501 1.00 0.43 C ATOM 1411 CD1 PHE A 99 -8.843 4.682 -1.328 1.00 1.94 C ATOM 1412 CD2 PHE A 99 -6.586 4.236 -0.822 1.00 1.58 C ATOM 1413 CE1 PHE A 99 -9.246 3.652 -0.437 1.00 1.95 C ATOM 1414 CE2 PHE A 99 -6.989 3.207 0.069 1.00 1.56 C ATOM 1415 CZ PHE A 99 -8.310 2.936 0.243 1.00 0.44 C ATOM 0 H PHE A 99 -6.255 7.438 0.015 1.00 0.51 H new ATOM 0 HA PHE A 99 -7.145 8.239 -2.636 1.00 0.50 H new ATOM 0 HB2 PHE A 99 -7.709 6.017 -3.356 1.00 0.45 H new ATOM 0 HB3 PHE A 99 -6.061 5.876 -2.776 1.00 0.45 H new ATOM 0 HD1 PHE A 99 -9.586 5.250 -1.868 1.00 1.94 H new ATOM 0 HD2 PHE A 99 -5.536 4.450 -0.961 1.00 1.58 H new ATOM 0 HE1 PHE A 99 -10.295 3.437 -0.299 1.00 1.95 H new ATOM 0 HE2 PHE A 99 -6.246 2.639 0.609 1.00 1.56 H new ATOM 0 HZ PHE A 99 -8.616 2.153 0.921 1.00 0.44 H new ATOM 1425 N LYS A 100 -9.497 8.122 -1.821 1.00 0.55 N ATOM 1426 CA LYS A 100 -10.812 8.312 -1.234 1.00 0.56 C ATOM 1427 C LYS A 100 -11.778 7.275 -1.812 1.00 0.51 C ATOM 1428 O LYS A 100 -11.454 6.592 -2.782 1.00 0.51 O ATOM 1429 CB LYS A 100 -11.278 9.758 -1.420 1.00 0.69 C ATOM 1430 CG LYS A 100 -10.409 10.722 -0.610 1.00 0.75 C ATOM 1431 CD LYS A 100 -11.265 11.793 0.069 1.00 1.74 C ATOM 1432 CE LYS A 100 -11.287 13.081 -0.755 1.00 1.81 C ATOM 1433 NZ LYS A 100 -12.554 13.815 -0.537 1.00 2.81 N ATOM 0 H LYS A 100 -9.419 8.413 -2.796 1.00 0.55 H new ATOM 0 HA LYS A 100 -10.776 8.149 -0.157 1.00 0.56 H new ATOM 0 HB2 LYS A 100 -11.236 10.025 -2.476 1.00 0.69 H new ATOM 0 HB3 LYS A 100 -12.318 9.852 -1.109 1.00 0.69 H new ATOM 0 HG2 LYS A 100 -9.849 10.167 0.143 1.00 0.75 H new ATOM 0 HG3 LYS A 100 -9.678 11.197 -1.265 1.00 0.75 H new ATOM 0 HD2 LYS A 100 -12.282 11.423 0.199 1.00 1.74 H new ATOM 0 HD3 LYS A 100 -10.872 12.001 1.064 1.00 1.74 H new ATOM 0 HE2 LYS A 100 -10.442 13.712 -0.478 1.00 1.81 H new ATOM 0 HE3 LYS A 100 -11.174 12.845 -1.813 1.00 1.81 H new ATOM 0 HZ1 LYS A 100 -12.552 14.687 -1.104 1.00 2.81 H new ATOM 0 HZ2 LYS A 100 -13.355 13.217 -0.824 1.00 2.81 H new ATOM 0 HZ3 LYS A 100 -12.646 14.057 0.470 1.00 2.81 H new ATOM 1447 N VAL A 101 -12.947 7.192 -1.192 1.00 0.53 N ATOM 1448 CA VAL A 101 -13.961 6.251 -1.632 1.00 0.55 C ATOM 1449 C VAL A 101 -15.345 6.882 -1.463 1.00 0.59 C ATOM 1450 O VAL A 101 -15.683 7.365 -0.383 1.00 0.61 O ATOM 1451 CB VAL A 101 -13.812 4.928 -0.877 1.00 0.57 C ATOM 1452 CG1 VAL A 101 -14.843 3.904 -1.357 1.00 0.68 C ATOM 1453 CG2 VAL A 101 -12.390 4.378 -1.011 1.00 0.54 C ATOM 0 H VAL A 101 -13.213 7.761 -0.389 1.00 0.53 H new ATOM 0 HA VAL A 101 -13.834 6.022 -2.690 1.00 0.55 H new ATOM 0 HB VAL A 101 -13.999 5.122 0.179 1.00 0.57 H new ATOM 0 HG11 VAL A 101 -14.715 2.973 -0.805 1.00 0.68 H new ATOM 0 HG12 VAL A 101 -15.847 4.292 -1.187 1.00 0.68 H new ATOM 0 HG13 VAL A 101 -14.701 3.717 -2.421 1.00 0.68 H new ATOM 0 HG21 VAL A 101 -12.311 3.438 -0.466 1.00 0.54 H new ATOM 0 HG22 VAL A 101 -12.164 4.207 -2.063 1.00 0.54 H new ATOM 0 HG23 VAL A 101 -11.682 5.097 -0.600 1.00 0.54 H new ATOM 1463 N LYS A 102 -16.108 6.860 -2.546 1.00 0.63 N ATOM 1464 CA LYS A 102 -17.446 7.424 -2.531 1.00 0.68 C ATOM 1465 C LYS A 102 -18.470 6.303 -2.717 1.00 0.77 C ATOM 1466 O LYS A 102 -19.660 6.565 -2.885 1.00 1.37 O ATOM 1467 CB LYS A 102 -17.566 8.545 -3.565 1.00 0.72 C ATOM 1468 CG LYS A 102 -16.574 9.672 -3.270 1.00 0.78 C ATOM 1469 CD LYS A 102 -17.297 10.917 -2.752 1.00 1.10 C ATOM 1470 CE LYS A 102 -16.309 11.903 -2.124 1.00 1.58 C ATOM 1471 NZ LYS A 102 -16.943 12.626 -0.999 1.00 2.52 N ATOM 1472 OXT LYS A 102 -18.104 5.164 -2.997 1.00 1.08 O ATOM 0 H LYS A 102 -15.824 6.460 -3.440 1.00 0.63 H new ATOM 0 HA LYS A 102 -17.653 7.888 -1.567 1.00 0.68 H new ATOM 0 HB2 LYS A 102 -17.382 8.146 -4.562 1.00 0.72 H new ATOM 0 HB3 LYS A 102 -18.582 8.940 -3.562 1.00 0.72 H new ATOM 0 HG2 LYS A 102 -15.846 9.336 -2.532 1.00 0.78 H new ATOM 0 HG3 LYS A 102 -16.019 9.919 -4.175 1.00 0.78 H new ATOM 0 HD2 LYS A 102 -17.828 11.401 -3.572 1.00 1.10 H new ATOM 0 HD3 LYS A 102 -18.045 10.627 -2.014 1.00 1.10 H new ATOM 0 HE2 LYS A 102 -15.428 11.368 -1.770 1.00 1.58 H new ATOM 0 HE3 LYS A 102 -15.969 12.615 -2.876 1.00 1.58 H new ATOM 0 HZ1 LYS A 102 -16.259 13.291 -0.584 1.00 2.52 H new ATOM 0 HZ2 LYS A 102 -17.770 13.152 -1.346 1.00 2.52 H new ATOM 0 HZ3 LYS A 102 -17.246 11.944 -0.275 1.00 2.52 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.602 1.822 -4.639 1.00 0.83 CU