USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 524 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 56 TYR OH : rot 30:sc= 0.711 USER MOD Set 1.2: A 67 SER OG : rot -101:sc= 0.793 USER MOD Set 1.3: A 71 THR OG1 : rot 74:sc= 0.289 USER MOD Set 1.4: A 74 LYS NZ :NH3+ 168:sc= -1.48! (180deg=-1.98!) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -0.294 K(o=-0.29,f=-2) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot -140:sc= -2.31! USER MOD Set 3.2: A 45 TYR OH : rot 151:sc= 1.67 USER MOD Set 3.3: A 73 HIS : no HE2:sc= -3.18 K(o=-3.8,f=-9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -62:sc= -0.282 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -24:sc= 0.098 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 0.634 (180deg=0.175) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.228 K(o=0.23,f=-3.3!) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 0.233 (180deg=-0.269) USER MOD Single : A 50 ASN : amide:sc=-0.00981 X(o=-0.0098,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 22 1.305 -5.970 4.442 1.00 0.68 N ATOM 2 CA PRO A 22 2.660 -6.523 4.494 1.00 0.81 C ATOM 3 C PRO A 22 3.596 -5.686 5.364 1.00 0.62 C ATOM 4 O PRO A 22 4.645 -6.160 5.801 1.00 0.76 O ATOM 5 CB PRO A 22 3.129 -6.491 3.031 1.00 0.95 C ATOM 6 CG PRO A 22 1.909 -6.197 2.229 1.00 0.89 C ATOM 7 CD PRO A 22 1.011 -5.403 3.125 1.00 0.64 C ATOM 0 HA PRO A 22 2.668 -7.520 4.934 1.00 0.81 H new ATOM 0 HB2 PRO A 22 3.892 -5.727 2.880 1.00 0.95 H new ATOM 0 HB3 PRO A 22 3.570 -7.444 2.739 1.00 0.95 H new ATOM 0 HG2 PRO A 22 2.159 -5.635 1.329 1.00 0.89 H new ATOM 0 HG3 PRO A 22 1.423 -7.117 1.905 1.00 0.89 H new ATOM 0 HD2 PRO A 22 1.233 -4.337 3.082 1.00 0.64 H new ATOM 0 HD3 PRO A 22 -0.039 -5.521 2.857 1.00 0.64 H new ATOM 15 N TYR A 23 3.203 -4.443 5.619 1.00 0.49 N ATOM 16 CA TYR A 23 3.996 -3.542 6.444 1.00 0.51 C ATOM 17 C TYR A 23 3.227 -3.169 7.703 1.00 0.77 C ATOM 18 O TYR A 23 2.007 -3.022 7.670 1.00 1.47 O ATOM 19 CB TYR A 23 4.369 -2.289 5.653 1.00 0.50 C ATOM 20 CG TYR A 23 5.085 -2.606 4.364 1.00 0.32 C ATOM 21 CD1 TYR A 23 6.019 -3.631 4.306 1.00 0.40 C ATOM 22 CD2 TYR A 23 4.819 -1.891 3.204 1.00 0.42 C ATOM 23 CE1 TYR A 23 6.669 -3.933 3.127 1.00 0.38 C ATOM 24 CE2 TYR A 23 5.467 -2.189 2.021 1.00 0.49 C ATOM 25 CZ TYR A 23 6.389 -3.211 1.989 1.00 0.32 C ATOM 26 OH TYR A 23 7.032 -3.510 0.809 1.00 0.58 O ATOM 0 H TYR A 23 2.337 -4.036 5.265 1.00 0.49 H new ATOM 0 HA TYR A 23 4.914 -4.051 6.737 1.00 0.51 H new ATOM 0 HB2 TYR A 23 3.465 -1.722 5.432 1.00 0.50 H new ATOM 0 HB3 TYR A 23 5.003 -1.651 6.269 1.00 0.50 H new ATOM 0 HD1 TYR A 23 6.240 -4.200 5.197 1.00 0.40 H new ATOM 0 HD2 TYR A 23 4.095 -1.090 3.227 1.00 0.42 H new ATOM 0 HE1 TYR A 23 7.394 -4.733 3.097 1.00 0.38 H new ATOM 0 HE2 TYR A 23 5.252 -1.624 1.126 1.00 0.49 H new ATOM 0 HH TYR A 23 7.258 -2.680 0.340 1.00 0.58 H new ATOM 36 N LYS A 24 3.934 -3.043 8.820 1.00 0.58 N ATOM 37 CA LYS A 24 3.281 -2.716 10.081 1.00 0.74 C ATOM 38 C LYS A 24 3.791 -1.410 10.685 1.00 0.46 C ATOM 39 O LYS A 24 3.005 -0.635 11.228 1.00 0.48 O ATOM 40 CB LYS A 24 3.467 -3.859 11.079 1.00 1.13 C ATOM 41 CG LYS A 24 2.559 -5.056 10.822 1.00 1.69 C ATOM 42 CD LYS A 24 1.089 -4.666 10.835 1.00 2.10 C ATOM 43 CE LYS A 24 0.650 -4.163 12.203 1.00 2.94 C ATOM 44 NZ LYS A 24 -0.292 -3.016 12.094 1.00 3.49 N ATOM 0 H LYS A 24 4.946 -3.160 8.879 1.00 0.58 H new ATOM 0 HA LYS A 24 2.221 -2.579 9.866 1.00 0.74 H new ATOM 0 HB2 LYS A 24 4.505 -4.190 11.049 1.00 1.13 H new ATOM 0 HB3 LYS A 24 3.281 -3.484 12.085 1.00 1.13 H new ATOM 0 HG2 LYS A 24 2.808 -5.500 9.858 1.00 1.69 H new ATOM 0 HG3 LYS A 24 2.739 -5.818 11.580 1.00 1.69 H new ATOM 0 HD2 LYS A 24 0.912 -3.891 10.089 1.00 2.10 H new ATOM 0 HD3 LYS A 24 0.482 -5.526 10.552 1.00 2.10 H new ATOM 0 HE2 LYS A 24 0.173 -4.974 12.753 1.00 2.94 H new ATOM 0 HE3 LYS A 24 1.526 -3.861 12.777 1.00 2.94 H new ATOM 0 HZ1 LYS A 24 -0.568 -2.702 13.046 1.00 3.49 H new ATOM 0 HZ2 LYS A 24 0.172 -2.232 11.592 1.00 3.49 H new ATOM 0 HZ3 LYS A 24 -1.139 -3.311 11.568 1.00 3.49 H new ATOM 58 N THR A 25 5.096 -1.158 10.605 1.00 0.51 N ATOM 59 CA THR A 25 5.659 0.069 11.166 1.00 0.54 C ATOM 60 C THR A 25 6.459 0.849 10.128 1.00 0.71 C ATOM 61 O THR A 25 6.117 1.981 9.786 1.00 1.50 O ATOM 62 CB THR A 25 6.552 -0.263 12.362 1.00 0.71 C ATOM 63 OG1 THR A 25 7.732 -0.933 11.937 1.00 0.98 O ATOM 64 CG2 THR A 25 5.860 -1.126 13.399 1.00 0.57 C ATOM 0 H THR A 25 5.776 -1.777 10.164 1.00 0.51 H new ATOM 0 HA THR A 25 4.828 0.695 11.490 1.00 0.54 H new ATOM 0 HB THR A 25 6.797 0.694 12.824 1.00 0.71 H new ATOM 0 HG1 THR A 25 7.491 -1.783 11.512 1.00 0.98 H new ATOM 0 HG21 THR A 25 6.546 -1.326 14.222 1.00 0.57 H new ATOM 0 HG22 THR A 25 4.981 -0.605 13.778 1.00 0.57 H new ATOM 0 HG23 THR A 25 5.555 -2.068 12.943 1.00 0.57 H new ATOM 72 N LYS A 26 7.537 0.238 9.644 1.00 0.34 N ATOM 73 CA LYS A 26 8.411 0.867 8.658 1.00 0.34 C ATOM 74 C LYS A 26 9.551 -0.072 8.292 1.00 0.39 C ATOM 75 O LYS A 26 9.801 -0.335 7.117 1.00 0.42 O ATOM 76 CB LYS A 26 8.969 2.180 9.208 1.00 0.42 C ATOM 77 CG LYS A 26 9.694 3.020 8.176 1.00 0.66 C ATOM 78 CD LYS A 26 9.564 4.504 8.482 1.00 0.83 C ATOM 79 CE LYS A 26 10.224 4.863 9.804 1.00 0.99 C ATOM 80 NZ LYS A 26 9.248 5.423 10.780 1.00 1.34 N ATOM 0 H LYS A 26 7.828 -0.700 9.921 1.00 0.34 H new ATOM 0 HA LYS A 26 7.829 1.081 7.761 1.00 0.34 H new ATOM 0 HB2 LYS A 26 8.150 2.764 9.627 1.00 0.42 H new ATOM 0 HB3 LYS A 26 9.653 1.958 10.027 1.00 0.42 H new ATOM 0 HG2 LYS A 26 10.748 2.742 8.153 1.00 0.66 H new ATOM 0 HG3 LYS A 26 9.288 2.814 7.186 1.00 0.66 H new ATOM 0 HD2 LYS A 26 10.019 5.083 7.678 1.00 0.83 H new ATOM 0 HD3 LYS A 26 8.510 4.778 8.515 1.00 0.83 H new ATOM 0 HE2 LYS A 26 10.692 3.975 10.228 1.00 0.99 H new ATOM 0 HE3 LYS A 26 11.018 5.589 9.628 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 9.738 5.654 11.667 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 8.819 6.285 10.386 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 8.504 4.721 10.969 1.00 1.34 H new ATOM 94 N SER A 27 10.233 -0.588 9.309 1.00 0.45 N ATOM 95 CA SER A 27 11.336 -1.512 9.090 1.00 0.54 C ATOM 96 C SER A 27 10.845 -2.771 8.376 1.00 0.50 C ATOM 97 O SER A 27 11.639 -3.533 7.825 1.00 0.52 O ATOM 98 CB SER A 27 11.997 -1.881 10.416 1.00 0.66 C ATOM 99 OG SER A 27 13.012 -2.851 10.227 1.00 1.66 O ATOM 0 H SER A 27 10.041 -0.382 10.289 1.00 0.45 H new ATOM 0 HA SER A 27 12.075 -1.019 8.459 1.00 0.54 H new ATOM 0 HB2 SER A 27 12.423 -0.989 10.874 1.00 0.66 H new ATOM 0 HB3 SER A 27 11.246 -2.266 11.106 1.00 0.66 H new ATOM 0 HG SER A 27 12.836 -3.352 9.403 1.00 1.66 H new ATOM 105 N ASP A 28 9.526 -2.979 8.383 1.00 0.49 N ATOM 106 CA ASP A 28 8.927 -4.135 7.727 1.00 0.49 C ATOM 107 C ASP A 28 9.110 -4.054 6.215 1.00 0.48 C ATOM 108 O ASP A 28 8.996 -5.060 5.514 1.00 0.66 O ATOM 109 CB ASP A 28 7.438 -4.226 8.067 1.00 0.50 C ATOM 110 CG ASP A 28 7.190 -4.841 9.432 1.00 1.20 C ATOM 111 OD1 ASP A 28 7.791 -4.362 10.417 1.00 1.58 O ATOM 112 OD2 ASP A 28 6.397 -5.801 9.514 1.00 1.87 O ATOM 0 H ASP A 28 8.855 -2.359 8.837 1.00 0.49 H new ATOM 0 HA ASP A 28 9.431 -5.031 8.090 1.00 0.49 H new ATOM 0 HB2 ASP A 28 7.000 -3.228 8.037 1.00 0.50 H new ATOM 0 HB3 ASP A 28 6.931 -4.820 7.307 1.00 0.50 H new ATOM 117 N LEU A 29 9.393 -2.852 5.717 1.00 0.42 N ATOM 118 CA LEU A 29 9.591 -2.646 4.288 1.00 0.42 C ATOM 119 C LEU A 29 10.660 -3.582 3.733 1.00 0.51 C ATOM 120 O LEU A 29 11.418 -4.193 4.486 1.00 0.59 O ATOM 121 CB LEU A 29 9.978 -1.197 4.015 1.00 0.40 C ATOM 122 CG LEU A 29 8.892 -0.175 4.331 1.00 0.30 C ATOM 123 CD1 LEU A 29 9.463 1.229 4.281 1.00 0.24 C ATOM 124 CD2 LEU A 29 7.724 -0.316 3.368 1.00 0.34 C ATOM 0 H LEU A 29 9.490 -2.009 6.283 1.00 0.42 H new ATOM 0 HA LEU A 29 8.650 -2.871 3.785 1.00 0.42 H new ATOM 0 HB2 LEU A 29 10.865 -0.956 4.600 1.00 0.40 H new ATOM 0 HB3 LEU A 29 10.253 -1.101 2.965 1.00 0.40 H new ATOM 0 HG LEU A 29 8.522 -0.363 5.339 1.00 0.30 H new ATOM 0 HD11 LEU A 29 8.677 1.950 4.508 1.00 0.24 H new ATOM 0 HD12 LEU A 29 10.264 1.322 5.014 1.00 0.24 H new ATOM 0 HD13 LEU A 29 9.858 1.426 3.284 1.00 0.24 H new ATOM 0 HD21 LEU A 29 6.960 0.423 3.611 1.00 0.34 H new ATOM 0 HD22 LEU A 29 8.072 -0.155 2.348 1.00 0.34 H new ATOM 0 HD23 LEU A 29 7.301 -1.317 3.453 1.00 0.34 H new ATOM 136 N PRO A 30 10.721 -3.710 2.398 1.00 0.50 N ATOM 137 CA PRO A 30 11.685 -4.579 1.721 1.00 0.55 C ATOM 138 C PRO A 30 13.125 -4.117 1.902 1.00 0.57 C ATOM 139 O PRO A 30 13.426 -2.928 1.838 1.00 0.98 O ATOM 140 CB PRO A 30 11.279 -4.485 0.243 1.00 0.53 C ATOM 141 CG PRO A 30 9.901 -3.940 0.254 1.00 0.58 C ATOM 142 CD PRO A 30 9.846 -3.030 1.437 1.00 0.48 C ATOM 0 HA PRO A 30 11.661 -5.592 2.124 1.00 0.55 H new ATOM 0 HB2 PRO A 30 11.956 -3.834 -0.311 1.00 0.53 H new ATOM 0 HB3 PRO A 30 11.312 -5.463 -0.238 1.00 0.53 H new ATOM 0 HG2 PRO A 30 9.684 -3.400 -0.668 1.00 0.58 H new ATOM 0 HG3 PRO A 30 9.163 -4.738 0.337 1.00 0.58 H new ATOM 0 HD2 PRO A 30 10.206 -2.030 1.197 1.00 0.48 H new ATOM 0 HD3 PRO A 30 8.831 -2.921 1.819 1.00 0.48 H new ATOM 150 N GLU A 31 14.013 -5.077 2.127 1.00 0.57 N ATOM 151 CA GLU A 31 15.426 -4.781 2.313 1.00 0.53 C ATOM 152 C GLU A 31 15.936 -3.874 1.195 1.00 0.32 C ATOM 153 O GLU A 31 16.553 -2.844 1.455 1.00 0.55 O ATOM 154 CB GLU A 31 16.236 -6.075 2.366 1.00 0.67 C ATOM 155 CG GLU A 31 16.038 -6.969 1.152 1.00 1.21 C ATOM 156 CD GLU A 31 16.101 -8.443 1.498 1.00 2.01 C ATOM 157 OE1 GLU A 31 15.648 -8.812 2.603 1.00 2.34 O ATOM 158 OE2 GLU A 31 16.605 -9.227 0.666 1.00 2.85 O ATOM 0 H GLU A 31 13.778 -6.068 2.185 1.00 0.57 H new ATOM 0 HA GLU A 31 15.548 -4.257 3.261 1.00 0.53 H new ATOM 0 HB2 GLU A 31 17.294 -5.828 2.456 1.00 0.67 H new ATOM 0 HB3 GLU A 31 15.961 -6.629 3.263 1.00 0.67 H new ATOM 0 HG2 GLU A 31 15.073 -6.748 0.696 1.00 1.21 H new ATOM 0 HG3 GLU A 31 16.802 -6.741 0.409 1.00 1.21 H new ATOM 165 N SER A 32 15.651 -4.250 -0.050 1.00 0.22 N ATOM 166 CA SER A 32 16.063 -3.456 -1.205 1.00 0.47 C ATOM 167 C SER A 32 15.471 -2.049 -1.144 1.00 0.72 C ATOM 168 O SER A 32 15.905 -1.147 -1.861 1.00 1.38 O ATOM 169 CB SER A 32 15.625 -4.141 -2.495 1.00 0.58 C ATOM 170 OG SER A 32 16.418 -3.726 -3.594 1.00 1.23 O ATOM 0 H SER A 32 15.137 -5.099 -0.285 1.00 0.22 H new ATOM 0 HA SER A 32 17.150 -3.375 -1.187 1.00 0.47 H new ATOM 0 HB2 SER A 32 15.699 -5.222 -2.378 1.00 0.58 H new ATOM 0 HB3 SER A 32 14.578 -3.913 -2.693 1.00 0.58 H new ATOM 0 HG SER A 32 16.115 -4.183 -4.407 1.00 1.23 H new ATOM 176 N VAL A 33 14.489 -1.871 -0.268 1.00 0.25 N ATOM 177 CA VAL A 33 13.839 -0.585 -0.083 1.00 0.32 C ATOM 178 C VAL A 33 14.480 0.156 1.084 1.00 0.34 C ATOM 179 O VAL A 33 14.898 1.306 0.956 1.00 0.45 O ATOM 180 CB VAL A 33 12.329 -0.770 0.164 1.00 0.36 C ATOM 181 CG1 VAL A 33 11.636 0.567 0.398 1.00 0.38 C ATOM 182 CG2 VAL A 33 11.706 -1.501 -1.012 1.00 0.48 C ATOM 0 H VAL A 33 14.124 -2.612 0.330 1.00 0.25 H new ATOM 0 HA VAL A 33 13.966 0.005 -0.991 1.00 0.32 H new ATOM 0 HB VAL A 33 12.196 -1.366 1.067 1.00 0.36 H new ATOM 0 HG11 VAL A 33 10.572 0.401 0.569 1.00 0.38 H new ATOM 0 HG12 VAL A 33 12.072 1.055 1.270 1.00 0.38 H new ATOM 0 HG13 VAL A 33 11.768 1.203 -0.477 1.00 0.38 H new ATOM 0 HG21 VAL A 33 10.638 -1.631 -0.835 1.00 0.48 H new ATOM 0 HG22 VAL A 33 11.855 -0.920 -1.922 1.00 0.48 H new ATOM 0 HG23 VAL A 33 12.177 -2.478 -1.124 1.00 0.48 H new ATOM 192 N LYS A 34 14.558 -0.519 2.222 1.00 0.34 N ATOM 193 CA LYS A 34 15.157 0.061 3.415 1.00 0.41 C ATOM 194 C LYS A 34 16.655 0.309 3.200 1.00 0.40 C ATOM 195 O LYS A 34 17.231 1.226 3.786 1.00 0.42 O ATOM 196 CB LYS A 34 14.962 -0.876 4.604 1.00 0.42 C ATOM 197 CG LYS A 34 13.508 -1.226 4.877 1.00 0.44 C ATOM 198 CD LYS A 34 13.379 -2.302 5.944 1.00 0.59 C ATOM 199 CE LYS A 34 14.103 -3.582 5.552 1.00 0.66 C ATOM 200 NZ LYS A 34 14.135 -4.563 6.672 1.00 1.25 N ATOM 0 H LYS A 34 14.213 -1.471 2.344 1.00 0.34 H new ATOM 0 HA LYS A 34 14.667 1.013 3.618 1.00 0.41 H new ATOM 0 HB2 LYS A 34 15.520 -1.795 4.426 1.00 0.42 H new ATOM 0 HB3 LYS A 34 15.388 -0.412 5.494 1.00 0.42 H new ATOM 0 HG2 LYS A 34 12.972 -0.332 5.195 1.00 0.44 H new ATOM 0 HG3 LYS A 34 13.037 -1.569 3.956 1.00 0.44 H new ATOM 0 HD2 LYS A 34 13.784 -1.930 6.885 1.00 0.59 H new ATOM 0 HD3 LYS A 34 12.325 -2.519 6.114 1.00 0.59 H new ATOM 0 HE2 LYS A 34 13.609 -4.030 4.690 1.00 0.66 H new ATOM 0 HE3 LYS A 34 15.122 -3.345 5.247 1.00 0.66 H new ATOM 0 HZ1 LYS A 34 14.095 -5.529 6.289 1.00 1.25 H new ATOM 0 HZ2 LYS A 34 15.014 -4.442 7.215 1.00 1.25 H new ATOM 0 HZ3 LYS A 34 13.318 -4.404 7.296 1.00 1.25 H new ATOM 214 N HIS A 35 17.279 -0.517 2.351 1.00 0.40 N ATOM 215 CA HIS A 35 18.710 -0.393 2.050 1.00 0.41 C ATOM 216 C HIS A 35 18.960 0.670 0.984 1.00 0.40 C ATOM 217 O HIS A 35 19.937 0.599 0.238 1.00 0.41 O ATOM 218 CB HIS A 35 19.276 -1.737 1.580 1.00 0.44 C ATOM 219 CG HIS A 35 20.296 -2.320 2.509 1.00 0.61 C ATOM 220 ND1 HIS A 35 21.580 -1.831 2.621 1.00 1.14 N ATOM 221 CD2 HIS A 35 20.214 -3.357 3.375 1.00 1.10 C ATOM 222 CE1 HIS A 35 22.244 -2.542 3.513 1.00 1.14 C ATOM 223 NE2 HIS A 35 21.437 -3.474 3.987 1.00 1.04 N ATOM 0 H HIS A 35 16.814 -1.280 1.859 1.00 0.40 H new ATOM 0 HA HIS A 35 19.216 -0.089 2.966 1.00 0.41 H new ATOM 0 HB2 HIS A 35 18.456 -2.446 1.464 1.00 0.44 H new ATOM 0 HB3 HIS A 35 19.726 -1.607 0.596 1.00 0.44 H new ATOM 0 HD2 HIS A 35 19.348 -3.977 3.552 1.00 1.10 H new ATOM 0 HE1 HIS A 35 23.272 -2.388 3.806 1.00 1.14 H new ATOM 0 HE2 HIS A 35 21.683 -4.168 4.693 1.00 1.04 H new ATOM 231 N VAL A 36 18.068 1.645 0.916 1.00 0.40 N ATOM 232 CA VAL A 36 18.168 2.721 -0.059 1.00 0.42 C ATOM 233 C VAL A 36 17.372 3.932 0.411 1.00 0.41 C ATOM 234 O VAL A 36 17.760 5.074 0.165 1.00 0.54 O ATOM 235 CB VAL A 36 17.653 2.260 -1.434 1.00 0.45 C ATOM 236 CG1 VAL A 36 18.629 1.278 -2.058 1.00 0.62 C ATOM 237 CG2 VAL A 36 16.274 1.634 -1.302 1.00 0.49 C ATOM 0 H VAL A 36 17.258 1.714 1.532 1.00 0.40 H new ATOM 0 HA VAL A 36 19.218 2.998 -0.155 1.00 0.42 H new ATOM 0 HB VAL A 36 17.573 3.129 -2.086 1.00 0.45 H new ATOM 0 HG11 VAL A 36 18.253 0.960 -3.030 1.00 0.62 H new ATOM 0 HG12 VAL A 36 19.599 1.759 -2.184 1.00 0.62 H new ATOM 0 HG13 VAL A 36 18.737 0.409 -1.408 1.00 0.62 H new ATOM 0 HG21 VAL A 36 15.924 1.313 -2.283 1.00 0.49 H new ATOM 0 HG22 VAL A 36 16.328 0.772 -0.637 1.00 0.49 H new ATOM 0 HG23 VAL A 36 15.580 2.367 -0.891 1.00 0.49 H new ATOM 247 N LEU A 37 16.265 3.678 1.106 1.00 0.29 N ATOM 248 CA LEU A 37 15.438 4.749 1.626 1.00 0.27 C ATOM 249 C LEU A 37 16.018 5.279 2.928 1.00 0.33 C ATOM 250 O LEU A 37 16.374 4.521 3.831 1.00 0.43 O ATOM 251 CB LEU A 37 13.996 4.280 1.819 1.00 0.27 C ATOM 252 CG LEU A 37 12.998 4.770 0.760 1.00 0.24 C ATOM 253 CD1 LEU A 37 13.704 5.151 -0.533 1.00 0.25 C ATOM 254 CD2 LEU A 37 11.932 3.717 0.508 1.00 0.31 C ATOM 0 H LEU A 37 15.926 2.740 1.318 1.00 0.29 H new ATOM 0 HA LEU A 37 15.428 5.561 0.899 1.00 0.27 H new ATOM 0 HB2 LEU A 37 13.984 3.190 1.828 1.00 0.27 H new ATOM 0 HB3 LEU A 37 13.652 4.611 2.799 1.00 0.27 H new ATOM 0 HG LEU A 37 12.512 5.667 1.144 1.00 0.24 H new ATOM 0 HD11 LEU A 37 12.969 5.494 -1.262 1.00 0.25 H new ATOM 0 HD12 LEU A 37 14.419 5.950 -0.336 1.00 0.25 H new ATOM 0 HD13 LEU A 37 14.231 4.283 -0.929 1.00 0.25 H new ATOM 0 HD21 LEU A 37 11.233 4.080 -0.245 1.00 0.31 H new ATOM 0 HD22 LEU A 37 12.403 2.800 0.154 1.00 0.31 H new ATOM 0 HD23 LEU A 37 11.395 3.514 1.434 1.00 0.31 H new ATOM 266 N PRO A 38 16.143 6.602 3.004 1.00 0.33 N ATOM 267 CA PRO A 38 16.713 7.312 4.158 1.00 0.43 C ATOM 268 C PRO A 38 16.034 6.977 5.490 1.00 0.48 C ATOM 269 O PRO A 38 16.493 6.089 6.210 1.00 1.04 O ATOM 270 CB PRO A 38 16.526 8.783 3.762 1.00 0.44 C ATOM 271 CG PRO A 38 16.531 8.747 2.276 1.00 0.40 C ATOM 272 CD PRO A 38 15.757 7.526 1.928 1.00 0.29 C ATOM 0 HA PRO A 38 17.750 7.033 4.347 1.00 0.43 H new ATOM 0 HB2 PRO A 38 15.591 9.187 4.150 1.00 0.44 H new ATOM 0 HB3 PRO A 38 17.330 9.408 4.151 1.00 0.44 H new ATOM 0 HG2 PRO A 38 16.071 9.641 1.856 1.00 0.40 H new ATOM 0 HG3 PRO A 38 17.547 8.698 1.884 1.00 0.40 H new ATOM 0 HD2 PRO A 38 14.683 7.713 1.917 1.00 0.29 H new ATOM 0 HD3 PRO A 38 16.024 7.141 0.944 1.00 0.29 H new ATOM 280 N SER A 39 14.955 7.680 5.827 1.00 0.48 N ATOM 281 CA SER A 39 14.253 7.435 7.083 1.00 0.47 C ATOM 282 C SER A 39 12.750 7.624 6.912 1.00 0.40 C ATOM 283 O SER A 39 11.998 6.653 6.850 1.00 0.47 O ATOM 284 CB SER A 39 14.779 8.374 8.171 1.00 0.55 C ATOM 285 OG SER A 39 15.735 7.722 8.991 1.00 1.37 O ATOM 0 H SER A 39 14.550 8.419 5.252 1.00 0.48 H new ATOM 0 HA SER A 39 14.437 6.403 7.381 1.00 0.47 H new ATOM 0 HB2 SER A 39 15.230 9.253 7.710 1.00 0.55 H new ATOM 0 HB3 SER A 39 13.949 8.726 8.784 1.00 0.55 H new ATOM 0 HG SER A 39 16.056 8.344 9.677 1.00 1.37 H new ATOM 291 N HIS A 40 12.323 8.878 6.828 1.00 0.30 N ATOM 292 CA HIS A 40 10.911 9.191 6.652 1.00 0.27 C ATOM 293 C HIS A 40 10.390 8.645 5.323 1.00 0.21 C ATOM 294 O HIS A 40 9.183 8.602 5.096 1.00 0.23 O ATOM 295 CB HIS A 40 10.683 10.699 6.722 1.00 0.29 C ATOM 296 CG HIS A 40 9.243 11.071 6.881 1.00 0.33 C ATOM 297 ND1 HIS A 40 8.283 10.196 7.349 1.00 1.01 N ATOM 298 CD2 HIS A 40 8.598 12.229 6.622 1.00 0.87 C ATOM 299 CE1 HIS A 40 7.109 10.803 7.369 1.00 0.79 C ATOM 300 NE2 HIS A 40 7.274 12.038 6.933 1.00 0.57 N ATOM 0 H HIS A 40 12.934 9.693 6.879 1.00 0.30 H new ATOM 0 HA HIS A 40 10.360 8.712 7.461 1.00 0.27 H new ATOM 0 HB2 HIS A 40 11.251 11.107 7.558 1.00 0.29 H new ATOM 0 HB3 HIS A 40 11.073 11.161 5.815 1.00 0.29 H new ATOM 0 HD2 HIS A 40 9.041 13.137 6.241 1.00 0.87 H new ATOM 0 HE1 HIS A 40 6.175 10.364 7.687 1.00 0.79 H new ATOM 0 HE2 HIS A 40 6.537 12.737 6.842 1.00 0.57 H new ATOM 308 N ALA A 41 11.304 8.221 4.450 1.00 0.17 N ATOM 309 CA ALA A 41 10.923 7.680 3.152 1.00 0.15 C ATOM 310 C ALA A 41 10.252 6.325 3.311 1.00 0.16 C ATOM 311 O ALA A 41 9.341 5.978 2.558 1.00 0.32 O ATOM 312 CB ALA A 41 12.148 7.541 2.266 1.00 0.22 C ATOM 0 H ALA A 41 12.309 8.243 4.620 1.00 0.17 H new ATOM 0 HA ALA A 41 10.217 8.369 2.688 1.00 0.15 H new ATOM 0 HB1 ALA A 41 11.853 7.136 1.298 1.00 0.22 H new ATOM 0 HB2 ALA A 41 12.608 8.519 2.125 1.00 0.22 H new ATOM 0 HB3 ALA A 41 12.864 6.868 2.738 1.00 0.22 H new ATOM 318 N GLN A 42 10.704 5.571 4.301 1.00 0.10 N ATOM 319 CA GLN A 42 10.151 4.256 4.578 1.00 0.10 C ATOM 320 C GLN A 42 8.733 4.394 5.111 1.00 0.13 C ATOM 321 O GLN A 42 7.844 3.622 4.751 1.00 0.16 O ATOM 322 CB GLN A 42 11.054 3.528 5.569 1.00 0.13 C ATOM 323 CG GLN A 42 12.487 3.449 5.088 1.00 0.14 C ATOM 324 CD GLN A 42 13.488 3.726 6.192 1.00 0.16 C ATOM 325 OE1 GLN A 42 13.192 3.549 7.373 1.00 0.19 O ATOM 326 NE2 GLN A 42 14.683 4.163 5.812 1.00 0.23 N ATOM 0 H GLN A 42 11.457 5.850 4.929 1.00 0.10 H new ATOM 0 HA GLN A 42 10.105 3.669 3.661 1.00 0.10 H new ATOM 0 HB2 GLN A 42 11.023 4.041 6.530 1.00 0.13 H new ATOM 0 HB3 GLN A 42 10.672 2.520 5.733 1.00 0.13 H new ATOM 0 HG2 GLN A 42 12.673 2.458 4.674 1.00 0.14 H new ATOM 0 HG3 GLN A 42 12.635 4.165 4.280 1.00 0.14 H new ATOM 0 HE21 GLN A 42 14.886 4.296 4.821 1.00 0.23 H new ATOM 0 HE22 GLN A 42 15.398 4.366 6.511 1.00 0.23 H new ATOM 335 N ASP A 43 8.513 5.420 5.932 1.00 0.16 N ATOM 336 CA ASP A 43 7.185 5.694 6.460 1.00 0.22 C ATOM 337 C ASP A 43 6.296 6.091 5.295 1.00 0.20 C ATOM 338 O ASP A 43 5.171 5.612 5.150 1.00 0.23 O ATOM 339 CB ASP A 43 7.239 6.823 7.492 1.00 0.27 C ATOM 340 CG ASP A 43 5.905 7.047 8.177 1.00 0.32 C ATOM 341 OD1 ASP A 43 5.007 7.640 7.545 1.00 0.61 O ATOM 342 OD2 ASP A 43 5.760 6.630 9.344 1.00 0.59 O ATOM 0 H ASP A 43 9.235 6.070 6.242 1.00 0.16 H new ATOM 0 HA ASP A 43 6.789 4.809 6.958 1.00 0.22 H new ATOM 0 HB2 ASP A 43 7.994 6.589 8.242 1.00 0.27 H new ATOM 0 HB3 ASP A 43 7.551 7.745 7.001 1.00 0.27 H new ATOM 347 N ILE A 44 6.856 6.945 4.440 1.00 0.18 N ATOM 348 CA ILE A 44 6.183 7.398 3.236 1.00 0.16 C ATOM 349 C ILE A 44 5.827 6.188 2.397 1.00 0.14 C ATOM 350 O ILE A 44 4.668 5.959 2.049 1.00 0.16 O ATOM 351 CB ILE A 44 7.111 8.332 2.429 1.00 0.16 C ATOM 352 CG1 ILE A 44 7.242 9.668 3.150 1.00 0.22 C ATOM 353 CG2 ILE A 44 6.593 8.551 1.006 1.00 0.17 C ATOM 354 CD1 ILE A 44 8.192 10.626 2.474 1.00 0.26 C ATOM 0 H ILE A 44 7.788 7.339 4.567 1.00 0.18 H new ATOM 0 HA ILE A 44 5.281 7.948 3.505 1.00 0.16 H new ATOM 0 HB ILE A 44 8.089 7.856 2.354 1.00 0.16 H new ATOM 0 HG12 ILE A 44 6.258 10.132 3.219 1.00 0.22 H new ATOM 0 HG13 ILE A 44 7.583 9.490 4.170 1.00 0.22 H new ATOM 0 HG21 ILE A 44 7.272 9.213 0.469 1.00 0.17 H new ATOM 0 HG22 ILE A 44 6.535 7.593 0.488 1.00 0.17 H new ATOM 0 HG23 ILE A 44 5.602 9.002 1.045 1.00 0.17 H new ATOM 0 HD11 ILE A 44 8.236 11.556 3.041 1.00 0.26 H new ATOM 0 HD12 ILE A 44 9.186 10.181 2.428 1.00 0.26 H new ATOM 0 HD13 ILE A 44 7.841 10.834 1.463 1.00 0.26 H new ATOM 366 N TYR A 45 6.853 5.404 2.104 1.00 0.17 N ATOM 367 CA TYR A 45 6.701 4.184 1.333 1.00 0.15 C ATOM 368 C TYR A 45 5.569 3.335 1.904 1.00 0.14 C ATOM 369 O TYR A 45 4.566 3.085 1.245 1.00 0.19 O ATOM 370 CB TYR A 45 8.001 3.390 1.359 1.00 0.16 C ATOM 371 CG TYR A 45 8.047 2.255 0.364 1.00 0.18 C ATOM 372 CD1 TYR A 45 7.154 1.193 0.440 1.00 0.22 C ATOM 373 CD2 TYR A 45 8.980 2.254 -0.658 1.00 0.23 C ATOM 374 CE1 TYR A 45 7.192 0.162 -0.480 1.00 0.27 C ATOM 375 CE2 TYR A 45 9.027 1.226 -1.580 1.00 0.27 C ATOM 376 CZ TYR A 45 8.130 0.184 -1.489 1.00 0.27 C ATOM 377 OH TYR A 45 8.171 -0.838 -2.409 1.00 0.34 O ATOM 0 H TYR A 45 7.812 5.597 2.394 1.00 0.17 H new ATOM 0 HA TYR A 45 6.460 4.448 0.303 1.00 0.15 H new ATOM 0 HB2 TYR A 45 8.832 4.067 1.161 1.00 0.16 H new ATOM 0 HB3 TYR A 45 8.149 2.987 2.361 1.00 0.16 H new ATOM 0 HD1 TYR A 45 6.418 1.173 1.231 1.00 0.22 H new ATOM 0 HD2 TYR A 45 9.683 3.070 -0.736 1.00 0.23 H new ATOM 0 HE1 TYR A 45 6.491 -0.656 -0.408 1.00 0.27 H new ATOM 0 HE2 TYR A 45 9.764 1.239 -2.369 1.00 0.27 H new ATOM 0 HH TYR A 45 8.514 -0.497 -3.262 1.00 0.34 H new ATOM 387 N LYS A 46 5.750 2.896 3.146 1.00 0.15 N ATOM 388 CA LYS A 46 4.761 2.070 3.827 1.00 0.18 C ATOM 389 C LYS A 46 3.367 2.696 3.778 1.00 0.17 C ATOM 390 O LYS A 46 2.398 2.041 3.396 1.00 0.21 O ATOM 391 CB LYS A 46 5.184 1.853 5.283 1.00 0.20 C ATOM 392 CG LYS A 46 4.137 1.145 6.124 1.00 0.23 C ATOM 393 CD LYS A 46 4.540 1.082 7.588 1.00 0.27 C ATOM 394 CE LYS A 46 3.505 1.750 8.483 1.00 0.35 C ATOM 395 NZ LYS A 46 2.273 0.925 8.613 1.00 1.20 N ATOM 0 H LYS A 46 6.579 3.101 3.704 1.00 0.15 H new ATOM 0 HA LYS A 46 4.712 1.112 3.309 1.00 0.18 H new ATOM 0 HB2 LYS A 46 6.106 1.272 5.301 1.00 0.20 H new ATOM 0 HB3 LYS A 46 5.408 2.819 5.735 1.00 0.20 H new ATOM 0 HG2 LYS A 46 3.183 1.665 6.031 1.00 0.23 H new ATOM 0 HG3 LYS A 46 3.988 0.134 5.744 1.00 0.23 H new ATOM 0 HD2 LYS A 46 4.664 0.041 7.888 1.00 0.27 H new ATOM 0 HD3 LYS A 46 5.506 1.569 7.721 1.00 0.27 H new ATOM 0 HE2 LYS A 46 3.934 1.921 9.470 1.00 0.35 H new ATOM 0 HE3 LYS A 46 3.247 2.727 8.074 1.00 0.35 H new ATOM 0 HZ1 LYS A 46 1.437 1.543 8.590 1.00 1.20 H new ATOM 0 HZ2 LYS A 46 2.224 0.248 7.825 1.00 1.20 H new ATOM 0 HZ3 LYS A 46 2.296 0.407 9.514 1.00 1.20 H new ATOM 409 N GLU A 47 3.268 3.959 4.183 1.00 0.14 N ATOM 410 CA GLU A 47 1.985 4.657 4.196 1.00 0.14 C ATOM 411 C GLU A 47 1.350 4.688 2.815 1.00 0.13 C ATOM 412 O GLU A 47 0.139 4.517 2.677 1.00 0.20 O ATOM 413 CB GLU A 47 2.151 6.082 4.716 1.00 0.15 C ATOM 414 CG GLU A 47 2.574 6.157 6.173 1.00 0.16 C ATOM 415 CD GLU A 47 1.601 6.954 7.018 1.00 1.17 C ATOM 416 OE1 GLU A 47 1.408 8.154 6.728 1.00 2.04 O ATOM 417 OE2 GLU A 47 1.030 6.379 7.967 1.00 1.67 O ATOM 0 H GLU A 47 4.057 4.519 4.506 1.00 0.14 H new ATOM 0 HA GLU A 47 1.325 4.105 4.865 1.00 0.14 H new ATOM 0 HB2 GLU A 47 2.892 6.598 4.105 1.00 0.15 H new ATOM 0 HB3 GLU A 47 1.209 6.616 4.593 1.00 0.15 H new ATOM 0 HG2 GLU A 47 2.659 5.148 6.576 1.00 0.16 H new ATOM 0 HG3 GLU A 47 3.563 6.610 6.238 1.00 0.16 H new ATOM 424 N ALA A 48 2.165 4.901 1.793 1.00 0.12 N ATOM 425 CA ALA A 48 1.662 4.941 0.432 1.00 0.13 C ATOM 426 C ALA A 48 1.329 3.534 -0.034 1.00 0.13 C ATOM 427 O ALA A 48 0.322 3.307 -0.707 1.00 0.21 O ATOM 428 CB ALA A 48 2.666 5.607 -0.491 1.00 0.17 C ATOM 0 H ALA A 48 3.171 5.048 1.881 1.00 0.12 H new ATOM 0 HA ALA A 48 0.750 5.537 0.406 1.00 0.13 H new ATOM 0 HB1 ALA A 48 2.270 5.627 -1.506 1.00 0.17 H new ATOM 0 HB2 ALA A 48 2.850 6.627 -0.153 1.00 0.17 H new ATOM 0 HB3 ALA A 48 3.601 5.046 -0.477 1.00 0.17 H new ATOM 434 N PHE A 49 2.178 2.589 0.350 1.00 0.11 N ATOM 435 CA PHE A 49 1.972 1.195 0.000 1.00 0.11 C ATOM 436 C PHE A 49 0.668 0.700 0.617 1.00 0.12 C ATOM 437 O PHE A 49 -0.176 0.121 -0.068 1.00 0.17 O ATOM 438 CB PHE A 49 3.148 0.341 0.488 1.00 0.13 C ATOM 439 CG PHE A 49 2.974 -1.131 0.234 1.00 0.17 C ATOM 440 CD1 PHE A 49 2.036 -1.871 0.937 1.00 0.24 C ATOM 441 CD2 PHE A 49 3.737 -1.770 -0.732 1.00 0.21 C ATOM 442 CE1 PHE A 49 1.863 -3.219 0.684 1.00 0.31 C ATOM 443 CE2 PHE A 49 3.569 -3.117 -0.986 1.00 0.26 C ATOM 444 CZ PHE A 49 2.631 -3.842 -0.280 1.00 0.30 C ATOM 0 H PHE A 49 3.016 2.766 0.904 1.00 0.11 H new ATOM 0 HA PHE A 49 1.911 1.107 -1.085 1.00 0.11 H new ATOM 0 HB2 PHE A 49 4.060 0.680 -0.003 1.00 0.13 H new ATOM 0 HB3 PHE A 49 3.283 0.502 1.557 1.00 0.13 H new ATOM 0 HD1 PHE A 49 1.433 -1.388 1.692 1.00 0.24 H new ATOM 0 HD2 PHE A 49 4.470 -1.208 -1.292 1.00 0.21 H new ATOM 0 HE1 PHE A 49 1.129 -3.784 1.239 1.00 0.31 H new ATOM 0 HE2 PHE A 49 4.172 -3.603 -1.738 1.00 0.26 H new ATOM 0 HZ PHE A 49 2.498 -4.895 -0.481 1.00 0.30 H new ATOM 454 N ASN A 50 0.515 0.932 1.921 1.00 0.16 N ATOM 455 CA ASN A 50 -0.680 0.513 2.641 1.00 0.21 C ATOM 456 C ASN A 50 -1.935 1.126 2.030 1.00 0.22 C ATOM 457 O ASN A 50 -2.934 0.437 1.823 1.00 0.28 O ATOM 458 CB ASN A 50 -0.574 0.901 4.116 1.00 0.27 C ATOM 459 CG ASN A 50 -0.211 -0.281 4.994 1.00 0.31 C ATOM 460 OD1 ASN A 50 -1.023 -0.746 5.795 1.00 0.89 O ATOM 461 ND2 ASN A 50 1.012 -0.774 4.845 1.00 0.61 N ATOM 0 H ASN A 50 1.207 1.409 2.498 1.00 0.16 H new ATOM 0 HA ASN A 50 -0.756 -0.571 2.561 1.00 0.21 H new ATOM 0 HB2 ASN A 50 0.178 1.682 4.232 1.00 0.27 H new ATOM 0 HB3 ASN A 50 -1.523 1.321 4.449 1.00 0.27 H new ATOM 0 HD21 ASN A 50 1.313 -1.571 5.407 1.00 0.61 H new ATOM 0 HD22 ASN A 50 1.651 -0.356 4.169 1.00 0.61 H new ATOM 468 N SER A 51 -1.885 2.423 1.737 1.00 0.23 N ATOM 469 CA SER A 51 -3.027 3.110 1.147 1.00 0.27 C ATOM 470 C SER A 51 -3.452 2.403 -0.132 1.00 0.25 C ATOM 471 O SER A 51 -4.635 2.151 -0.352 1.00 0.29 O ATOM 472 CB SER A 51 -2.685 4.573 0.848 1.00 0.32 C ATOM 473 OG SER A 51 -3.835 5.397 0.947 1.00 0.45 O ATOM 0 H SER A 51 -1.070 3.015 1.898 1.00 0.23 H new ATOM 0 HA SER A 51 -3.850 3.088 1.861 1.00 0.27 H new ATOM 0 HB2 SER A 51 -1.923 4.921 1.545 1.00 0.32 H new ATOM 0 HB3 SER A 51 -2.261 4.653 -0.153 1.00 0.32 H new ATOM 0 HG SER A 51 -3.590 6.326 0.753 1.00 0.45 H new ATOM 479 N ALA A 52 -2.473 2.055 -0.954 1.00 0.23 N ATOM 480 CA ALA A 52 -2.745 1.347 -2.191 1.00 0.23 C ATOM 481 C ALA A 52 -3.246 -0.056 -1.887 1.00 0.24 C ATOM 482 O ALA A 52 -4.072 -0.599 -2.613 1.00 0.31 O ATOM 483 CB ALA A 52 -1.497 1.287 -3.054 1.00 0.21 C ATOM 0 H ALA A 52 -1.486 2.252 -0.785 1.00 0.23 H new ATOM 0 HA ALA A 52 -3.517 1.886 -2.741 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.719 0.753 -3.978 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.169 2.299 -3.290 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.706 0.766 -2.514 1.00 0.21 H new ATOM 489 N TRP A 53 -2.752 -0.623 -0.789 1.00 0.21 N ATOM 490 CA TRP A 53 -3.156 -1.956 -0.358 1.00 0.25 C ATOM 491 C TRP A 53 -4.630 -1.935 0.042 1.00 0.30 C ATOM 492 O TRP A 53 -5.426 -2.736 -0.445 1.00 0.34 O ATOM 493 CB TRP A 53 -2.248 -2.403 0.807 1.00 0.27 C ATOM 494 CG TRP A 53 -2.842 -3.412 1.756 1.00 0.36 C ATOM 495 CD1 TRP A 53 -2.659 -4.764 1.730 1.00 0.46 C ATOM 496 CD2 TRP A 53 -3.684 -3.148 2.888 1.00 0.44 C ATOM 497 NE1 TRP A 53 -3.343 -5.357 2.761 1.00 0.55 N ATOM 498 CE2 TRP A 53 -3.982 -4.390 3.485 1.00 0.53 C ATOM 499 CE3 TRP A 53 -4.220 -1.988 3.451 1.00 0.51 C ATOM 500 CZ2 TRP A 53 -4.790 -4.498 4.614 1.00 0.63 C ATOM 501 CZ3 TRP A 53 -5.021 -2.098 4.572 1.00 0.63 C ATOM 502 CH2 TRP A 53 -5.299 -3.345 5.143 1.00 0.67 C ATOM 0 H TRP A 53 -2.067 -0.176 -0.179 1.00 0.21 H new ATOM 0 HA TRP A 53 -3.044 -2.675 -1.170 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -1.333 -2.822 0.389 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -1.962 -1.520 1.379 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -2.061 -5.292 1.002 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -3.370 -6.358 2.956 1.00 0.55 H new ATOM 0 HE3 TRP A 53 -4.012 -1.021 3.018 1.00 0.51 H new ATOM 0 HZ2 TRP A 53 -5.007 -5.459 5.056 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -5.440 -1.206 5.015 1.00 0.63 H new ATOM 0 HH2 TRP A 53 -5.928 -3.397 6.019 1.00 0.67 H new ATOM 513 N ASP A 54 -4.989 -1.001 0.923 1.00 0.33 N ATOM 514 CA ASP A 54 -6.368 -0.864 1.374 1.00 0.40 C ATOM 515 C ASP A 54 -7.252 -0.381 0.231 1.00 0.40 C ATOM 516 O ASP A 54 -8.401 -0.804 0.094 1.00 0.48 O ATOM 517 CB ASP A 54 -6.457 0.122 2.543 1.00 0.43 C ATOM 518 CG ASP A 54 -7.648 -0.153 3.442 1.00 0.49 C ATOM 519 OD1 ASP A 54 -7.565 -1.089 4.265 1.00 1.17 O ATOM 520 OD2 ASP A 54 -8.660 0.568 3.323 1.00 0.86 O ATOM 0 H ASP A 54 -4.342 -0.330 1.337 1.00 0.33 H new ATOM 0 HA ASP A 54 -6.715 -1.842 1.709 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -5.541 0.068 3.131 1.00 0.43 H new ATOM 0 HB3 ASP A 54 -6.526 1.138 2.154 1.00 0.43 H new ATOM 525 N GLN A 55 -6.702 0.507 -0.595 1.00 0.38 N ATOM 526 CA GLN A 55 -7.439 1.043 -1.732 1.00 0.45 C ATOM 527 C GLN A 55 -7.663 -0.042 -2.771 1.00 0.49 C ATOM 528 O GLN A 55 -8.621 0.000 -3.542 1.00 0.59 O ATOM 529 CB GLN A 55 -6.691 2.226 -2.353 1.00 0.49 C ATOM 530 CG GLN A 55 -6.862 3.528 -1.588 1.00 0.52 C ATOM 531 CD GLN A 55 -6.917 4.739 -2.498 1.00 0.59 C ATOM 532 OE1 GLN A 55 -7.966 5.073 -3.045 1.00 0.68 O ATOM 533 NE2 GLN A 55 -5.780 5.405 -2.662 1.00 0.59 N ATOM 0 H GLN A 55 -5.753 0.868 -0.497 1.00 0.38 H new ATOM 0 HA GLN A 55 -8.407 1.397 -1.378 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -5.630 1.984 -2.408 1.00 0.49 H new ATOM 0 HB3 GLN A 55 -7.039 2.368 -3.376 1.00 0.49 H new ATOM 0 HG2 GLN A 55 -7.777 3.480 -0.998 1.00 0.52 H new ATOM 0 HG3 GLN A 55 -6.036 3.643 -0.886 1.00 0.52 H new ATOM 0 HE21 GLN A 55 -4.933 5.092 -2.188 1.00 0.59 H new ATOM 0 HE22 GLN A 55 -5.754 6.230 -3.262 1.00 0.59 H new ATOM 542 N TYR A 56 -6.770 -1.015 -2.772 1.00 0.44 N ATOM 543 CA TYR A 56 -6.847 -2.137 -3.697 1.00 0.52 C ATOM 544 C TYR A 56 -7.973 -3.092 -3.302 1.00 0.68 C ATOM 545 O TYR A 56 -7.772 -4.303 -3.228 1.00 0.79 O ATOM 546 CB TYR A 56 -5.514 -2.884 -3.709 1.00 0.49 C ATOM 547 CG TYR A 56 -5.114 -3.409 -5.059 1.00 0.35 C ATOM 548 CD1 TYR A 56 -4.799 -2.549 -6.102 1.00 0.29 C ATOM 549 CD2 TYR A 56 -5.041 -4.771 -5.285 1.00 0.38 C ATOM 550 CE1 TYR A 56 -4.426 -3.040 -7.335 1.00 0.26 C ATOM 551 CE2 TYR A 56 -4.668 -5.270 -6.511 1.00 0.34 C ATOM 552 CZ TYR A 56 -4.359 -4.404 -7.536 1.00 0.26 C ATOM 553 OH TYR A 56 -3.989 -4.898 -8.766 1.00 0.35 O ATOM 0 H TYR A 56 -5.974 -1.052 -2.136 1.00 0.44 H new ATOM 0 HA TYR A 56 -7.059 -1.751 -4.694 1.00 0.52 H new ATOM 0 HB2 TYR A 56 -4.733 -2.216 -3.345 1.00 0.49 H new ATOM 0 HB3 TYR A 56 -5.571 -3.718 -3.010 1.00 0.49 H new ATOM 0 HD1 TYR A 56 -4.847 -1.481 -5.946 1.00 0.29 H new ATOM 0 HD2 TYR A 56 -5.281 -5.455 -4.485 1.00 0.38 H new ATOM 0 HE1 TYR A 56 -4.187 -2.361 -8.140 1.00 0.26 H new ATOM 0 HE2 TYR A 56 -4.618 -6.337 -6.669 1.00 0.34 H new ATOM 0 HH TYR A 56 -3.381 -4.266 -9.203 1.00 0.35 H new ATOM 563 N LYS A 57 -9.160 -2.545 -3.055 1.00 0.76 N ATOM 564 CA LYS A 57 -10.314 -3.355 -2.670 1.00 0.95 C ATOM 565 C LYS A 57 -10.913 -4.080 -3.873 1.00 1.08 C ATOM 566 O LYS A 57 -11.924 -4.770 -3.750 1.00 1.26 O ATOM 567 CB LYS A 57 -11.378 -2.477 -2.009 1.00 1.01 C ATOM 568 CG LYS A 57 -11.445 -2.640 -0.500 1.00 0.94 C ATOM 569 CD LYS A 57 -12.870 -2.512 0.010 1.00 1.21 C ATOM 570 CE LYS A 57 -13.709 -3.722 -0.369 1.00 2.33 C ATOM 571 NZ LYS A 57 -15.157 -3.389 -0.461 1.00 3.35 N ATOM 0 H LYS A 57 -9.349 -1.544 -3.114 1.00 0.76 H new ATOM 0 HA LYS A 57 -9.971 -4.106 -1.958 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -11.174 -1.433 -2.245 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -12.352 -2.716 -2.436 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -11.043 -3.614 -0.220 1.00 0.94 H new ATOM 0 HG3 LYS A 57 -10.818 -1.887 -0.023 1.00 0.94 H new ATOM 0 HD2 LYS A 57 -12.861 -2.400 1.094 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -13.325 -1.610 -0.400 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -13.366 -4.116 -1.326 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -13.564 -4.510 0.370 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -15.693 -4.241 -0.722 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 -15.491 -3.037 0.459 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 -15.299 -2.656 -1.185 1.00 3.35 H new ATOM 718 N ALA A 66 -0.941 -10.999 -5.000 1.00 0.47 N ATOM 719 CA ALA A 66 0.376 -10.463 -5.331 1.00 0.50 C ATOM 720 C ALA A 66 0.257 -9.135 -6.068 1.00 0.44 C ATOM 721 O ALA A 66 0.980 -8.185 -5.771 1.00 0.45 O ATOM 722 CB ALA A 66 1.176 -11.447 -6.160 1.00 0.63 C ATOM 0 HA ALA A 66 0.904 -10.294 -4.392 1.00 0.50 H new ATOM 0 HB1 ALA A 66 2.152 -11.020 -6.391 1.00 0.63 H new ATOM 0 HB2 ALA A 66 1.309 -12.372 -5.599 1.00 0.63 H new ATOM 0 HB3 ALA A 66 0.644 -11.658 -7.088 1.00 0.63 H new ATOM 728 N SER A 67 -0.673 -9.065 -7.017 1.00 0.41 N ATOM 729 CA SER A 67 -0.892 -7.839 -7.778 1.00 0.40 C ATOM 730 C SER A 67 -1.055 -6.670 -6.826 1.00 0.32 C ATOM 731 O SER A 67 -0.472 -5.604 -7.022 1.00 0.36 O ATOM 732 CB SER A 67 -2.128 -7.971 -8.656 1.00 0.39 C ATOM 733 OG SER A 67 -2.164 -6.957 -9.644 1.00 0.44 O ATOM 0 H SER A 67 -1.284 -9.839 -7.276 1.00 0.41 H new ATOM 0 HA SER A 67 -0.029 -7.664 -8.420 1.00 0.40 H new ATOM 0 HB2 SER A 67 -2.134 -8.950 -9.135 1.00 0.39 H new ATOM 0 HB3 SER A 67 -3.024 -7.913 -8.038 1.00 0.39 H new ATOM 0 HG SER A 67 -2.781 -6.249 -9.364 1.00 0.44 H new ATOM 739 N ARG A 68 -1.831 -6.893 -5.776 1.00 0.28 N ATOM 740 CA ARG A 68 -2.046 -5.871 -4.763 1.00 0.24 C ATOM 741 C ARG A 68 -0.699 -5.405 -4.238 1.00 0.22 C ATOM 742 O ARG A 68 -0.313 -4.251 -4.413 1.00 0.29 O ATOM 743 CB ARG A 68 -2.898 -6.418 -3.618 1.00 0.25 C ATOM 744 CG ARG A 68 -3.126 -5.410 -2.503 1.00 0.40 C ATOM 745 CD ARG A 68 -2.068 -5.534 -1.418 1.00 0.67 C ATOM 746 NE ARG A 68 -2.237 -6.752 -0.625 1.00 1.77 N ATOM 747 CZ ARG A 68 -1.233 -7.422 -0.065 1.00 2.72 C ATOM 748 NH1 ARG A 68 0.019 -7.005 -0.212 1.00 3.09 N ATOM 749 NH2 ARG A 68 -1.480 -8.509 0.652 1.00 3.77 N ATOM 0 H ARG A 68 -2.321 -7.771 -5.603 1.00 0.28 H new ATOM 0 HA ARG A 68 -2.578 -5.030 -5.208 1.00 0.24 H new ATOM 0 HB2 ARG A 68 -3.863 -6.737 -4.013 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -2.414 -7.303 -3.205 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -3.111 -4.401 -2.914 1.00 0.40 H new ATOM 0 HG3 ARG A 68 -4.114 -5.563 -2.069 1.00 0.40 H new ATOM 0 HD2 ARG A 68 -1.078 -5.533 -1.875 1.00 0.67 H new ATOM 0 HD3 ARG A 68 -2.117 -4.665 -0.762 1.00 0.67 H new ATOM 0 HE ARG A 68 -3.183 -7.110 -0.493 1.00 1.77 H new ATOM 0 HH11 ARG A 68 0.216 -6.166 -0.757 1.00 3.09 H new ATOM 0 HH12 ARG A 68 0.783 -7.524 0.220 1.00 3.09 H new ATOM 0 HH21 ARG A 68 -2.440 -8.832 0.774 1.00 3.77 H new ATOM 0 HH22 ARG A 68 -0.710 -9.023 1.081 1.00 3.77 H new ATOM 763 N GLU A 69 0.024 -6.329 -3.609 1.00 0.22 N ATOM 764 CA GLU A 69 1.342 -6.031 -3.079 1.00 0.21 C ATOM 765 C GLU A 69 2.167 -5.322 -4.145 1.00 0.19 C ATOM 766 O GLU A 69 2.724 -4.250 -3.907 1.00 0.22 O ATOM 767 CB GLU A 69 2.033 -7.318 -2.626 1.00 0.27 C ATOM 768 CG GLU A 69 3.365 -7.077 -1.946 1.00 0.28 C ATOM 769 CD GLU A 69 3.839 -8.276 -1.150 1.00 0.36 C ATOM 770 OE1 GLU A 69 3.970 -9.369 -1.742 1.00 0.43 O ATOM 771 OE2 GLU A 69 4.080 -8.122 0.065 1.00 0.79 O ATOM 0 H GLU A 69 -0.285 -7.289 -3.457 1.00 0.22 H new ATOM 0 HA GLU A 69 1.246 -5.376 -2.213 1.00 0.21 H new ATOM 0 HB2 GLU A 69 1.375 -7.853 -1.941 1.00 0.27 H new ATOM 0 HB3 GLU A 69 2.186 -7.963 -3.491 1.00 0.27 H new ATOM 0 HG2 GLU A 69 4.113 -6.827 -2.699 1.00 0.28 H new ATOM 0 HG3 GLU A 69 3.280 -6.216 -1.283 1.00 0.28 H new ATOM 778 N GLU A 70 2.209 -5.917 -5.335 1.00 0.27 N ATOM 779 CA GLU A 70 2.929 -5.340 -6.462 1.00 0.29 C ATOM 780 C GLU A 70 2.532 -3.880 -6.650 1.00 0.27 C ATOM 781 O GLU A 70 3.359 -2.979 -6.527 1.00 0.28 O ATOM 782 CB GLU A 70 2.621 -6.130 -7.736 1.00 0.35 C ATOM 783 CG GLU A 70 3.644 -5.928 -8.840 1.00 0.42 C ATOM 784 CD GLU A 70 4.814 -6.884 -8.726 1.00 0.64 C ATOM 785 OE1 GLU A 70 5.516 -6.842 -7.694 1.00 1.27 O ATOM 786 OE2 GLU A 70 5.028 -7.675 -9.668 1.00 1.11 O ATOM 0 H GLU A 70 1.749 -6.804 -5.542 1.00 0.27 H new ATOM 0 HA GLU A 70 3.999 -5.391 -6.258 1.00 0.29 H new ATOM 0 HB2 GLU A 70 2.568 -7.191 -7.491 1.00 0.35 H new ATOM 0 HB3 GLU A 70 1.638 -5.838 -8.105 1.00 0.35 H new ATOM 0 HG2 GLU A 70 3.161 -6.063 -9.808 1.00 0.42 H new ATOM 0 HG3 GLU A 70 4.012 -4.902 -8.807 1.00 0.42 H new ATOM 793 N THR A 71 1.254 -3.654 -6.940 1.00 0.27 N ATOM 794 CA THR A 71 0.746 -2.298 -7.133 1.00 0.27 C ATOM 795 C THR A 71 1.128 -1.411 -5.960 1.00 0.23 C ATOM 796 O THR A 71 1.687 -0.332 -6.145 1.00 0.28 O ATOM 797 CB THR A 71 -0.774 -2.301 -7.297 1.00 0.28 C ATOM 798 OG1 THR A 71 -1.152 -3.016 -8.460 1.00 0.35 O ATOM 799 CG2 THR A 71 -1.361 -0.907 -7.399 1.00 0.31 C ATOM 0 H THR A 71 0.554 -4.388 -7.046 1.00 0.27 H new ATOM 0 HA THR A 71 1.197 -1.902 -8.043 1.00 0.27 H new ATOM 0 HB THR A 71 -1.165 -2.780 -6.399 1.00 0.28 H new ATOM 0 HG1 THR A 71 -1.035 -3.977 -8.306 1.00 0.35 H new ATOM 0 HG21 THR A 71 -2.443 -0.975 -7.514 1.00 0.31 H new ATOM 0 HG22 THR A 71 -1.127 -0.347 -6.494 1.00 0.31 H new ATOM 0 HG23 THR A 71 -0.936 -0.396 -8.263 1.00 0.31 H new ATOM 807 N ALA A 72 0.834 -1.869 -4.747 1.00 0.16 N ATOM 808 CA ALA A 72 1.165 -1.099 -3.557 1.00 0.15 C ATOM 809 C ALA A 72 2.625 -0.667 -3.625 1.00 0.17 C ATOM 810 O ALA A 72 2.951 0.498 -3.392 1.00 0.23 O ATOM 811 CB ALA A 72 0.871 -1.903 -2.301 1.00 0.16 C ATOM 0 H ALA A 72 0.372 -2.760 -4.565 1.00 0.16 H new ATOM 0 HA ALA A 72 0.544 -0.204 -3.516 1.00 0.15 H new ATOM 0 HB1 ALA A 72 1.125 -1.311 -1.422 1.00 0.16 H new ATOM 0 HB2 ALA A 72 -0.188 -2.159 -2.272 1.00 0.16 H new ATOM 0 HB3 ALA A 72 1.465 -2.817 -2.307 1.00 0.16 H new ATOM 817 N HIS A 73 3.493 -1.605 -3.996 1.00 0.17 N ATOM 818 CA HIS A 73 4.910 -1.303 -4.152 1.00 0.23 C ATOM 819 C HIS A 73 5.054 -0.152 -5.144 1.00 0.25 C ATOM 820 O HIS A 73 5.768 0.821 -4.894 1.00 0.32 O ATOM 821 CB HIS A 73 5.676 -2.527 -4.661 1.00 0.27 C ATOM 822 CG HIS A 73 6.044 -3.506 -3.590 1.00 0.28 C ATOM 823 ND1 HIS A 73 7.087 -3.305 -2.713 1.00 0.33 N ATOM 824 CD2 HIS A 73 5.508 -4.707 -3.264 1.00 0.28 C ATOM 825 CE1 HIS A 73 7.179 -4.338 -1.895 1.00 0.35 C ATOM 826 NE2 HIS A 73 6.233 -5.202 -2.209 1.00 0.31 N ATOM 0 H HIS A 73 3.241 -2.574 -4.193 1.00 0.17 H new ATOM 0 HA HIS A 73 5.327 -1.024 -3.185 1.00 0.23 H new ATOM 0 HB2 HIS A 73 5.070 -3.036 -5.411 1.00 0.27 H new ATOM 0 HB3 HIS A 73 6.585 -2.192 -5.160 1.00 0.27 H new ATOM 0 HD1 HIS A 73 7.694 -2.486 -2.698 1.00 0.33 H new ATOM 0 HD2 HIS A 73 4.667 -5.185 -3.745 1.00 0.28 H new ATOM 0 HE1 HIS A 73 7.905 -4.455 -1.104 1.00 0.35 H new ATOM 834 N LYS A 74 4.352 -0.281 -6.272 1.00 0.23 N ATOM 835 CA LYS A 74 4.367 0.731 -7.322 1.00 0.28 C ATOM 836 C LYS A 74 3.902 2.075 -6.785 1.00 0.31 C ATOM 837 O LYS A 74 4.490 3.115 -7.081 1.00 0.54 O ATOM 838 CB LYS A 74 3.469 0.297 -8.489 1.00 0.37 C ATOM 839 CG LYS A 74 4.096 -0.768 -9.374 1.00 0.58 C ATOM 840 CD LYS A 74 3.155 -1.934 -9.627 1.00 0.64 C ATOM 841 CE LYS A 74 2.172 -1.622 -10.743 1.00 1.29 C ATOM 842 NZ LYS A 74 0.841 -1.208 -10.215 1.00 1.78 N ATOM 0 H LYS A 74 3.761 -1.086 -6.479 1.00 0.23 H new ATOM 0 HA LYS A 74 5.392 0.836 -7.678 1.00 0.28 H new ATOM 0 HB2 LYS A 74 2.527 -0.081 -8.091 1.00 0.37 H new ATOM 0 HB3 LYS A 74 3.231 1.169 -9.097 1.00 0.37 H new ATOM 0 HG2 LYS A 74 4.384 -0.323 -10.326 1.00 0.58 H new ATOM 0 HG3 LYS A 74 5.009 -1.136 -8.905 1.00 0.58 H new ATOM 0 HD2 LYS A 74 3.734 -2.820 -9.887 1.00 0.64 H new ATOM 0 HD3 LYS A 74 2.608 -2.167 -8.713 1.00 0.64 H new ATOM 0 HE2 LYS A 74 2.576 -0.828 -11.371 1.00 1.29 H new ATOM 0 HE3 LYS A 74 2.053 -2.500 -11.378 1.00 1.29 H new ATOM 0 HZ1 LYS A 74 0.269 -0.812 -10.988 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 0.355 -2.035 -9.812 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 0.969 -0.488 -9.476 1.00 1.78 H new ATOM 856 N VAL A 75 2.844 2.043 -5.989 1.00 0.21 N ATOM 857 CA VAL A 75 2.294 3.252 -5.403 1.00 0.21 C ATOM 858 C VAL A 75 3.256 3.848 -4.385 1.00 0.21 C ATOM 859 O VAL A 75 3.673 4.999 -4.505 1.00 0.29 O ATOM 860 CB VAL A 75 0.949 2.969 -4.725 1.00 0.20 C ATOM 861 CG1 VAL A 75 0.372 4.243 -4.122 1.00 0.24 C ATOM 862 CG2 VAL A 75 -0.001 2.357 -5.735 1.00 0.21 C ATOM 0 H VAL A 75 2.349 1.188 -5.734 1.00 0.21 H new ATOM 0 HA VAL A 75 2.142 3.967 -6.211 1.00 0.21 H new ATOM 0 HB VAL A 75 1.096 2.262 -3.909 1.00 0.20 H new ATOM 0 HG11 VAL A 75 -0.583 4.020 -3.646 1.00 0.24 H new ATOM 0 HG12 VAL A 75 1.064 4.640 -3.379 1.00 0.24 H new ATOM 0 HG13 VAL A 75 0.221 4.982 -4.909 1.00 0.24 H new ATOM 0 HG21 VAL A 75 -0.959 2.154 -5.257 1.00 0.21 H new ATOM 0 HG22 VAL A 75 -0.148 3.051 -6.563 1.00 0.21 H new ATOM 0 HG23 VAL A 75 0.420 1.425 -6.113 1.00 0.21 H new ATOM 872 N ALA A 76 3.596 3.059 -3.375 1.00 0.14 N ATOM 873 CA ALA A 76 4.501 3.508 -2.326 1.00 0.16 C ATOM 874 C ALA A 76 5.728 4.189 -2.908 1.00 0.19 C ATOM 875 O ALA A 76 6.112 5.276 -2.475 1.00 0.24 O ATOM 876 CB ALA A 76 4.904 2.348 -1.441 1.00 0.16 C ATOM 0 H ALA A 76 3.258 2.103 -3.260 1.00 0.14 H new ATOM 0 HA ALA A 76 3.971 4.242 -1.718 1.00 0.16 H new ATOM 0 HB1 ALA A 76 5.580 2.702 -0.663 1.00 0.16 H new ATOM 0 HB2 ALA A 76 4.016 1.916 -0.981 1.00 0.16 H new ATOM 0 HB3 ALA A 76 5.407 1.590 -2.041 1.00 0.16 H new ATOM 882 N TRP A 77 6.331 3.557 -3.903 1.00 0.18 N ATOM 883 CA TRP A 77 7.500 4.130 -4.546 1.00 0.23 C ATOM 884 C TRP A 77 7.148 5.496 -5.112 1.00 0.26 C ATOM 885 O TRP A 77 7.919 6.444 -4.993 1.00 0.30 O ATOM 886 CB TRP A 77 8.031 3.217 -5.642 1.00 0.26 C ATOM 887 CG TRP A 77 9.096 2.285 -5.160 1.00 0.25 C ATOM 888 CD1 TRP A 77 9.011 0.933 -5.094 1.00 0.32 C ATOM 889 CD2 TRP A 77 10.395 2.632 -4.664 1.00 0.29 C ATOM 890 NE1 TRP A 77 10.179 0.405 -4.602 1.00 0.32 N ATOM 891 CE2 TRP A 77 11.046 1.429 -4.328 1.00 0.30 C ATOM 892 CE3 TRP A 77 11.073 3.839 -4.473 1.00 0.43 C ATOM 893 CZ2 TRP A 77 12.338 1.399 -3.814 1.00 0.38 C ATOM 894 CZ3 TRP A 77 12.355 3.808 -3.962 1.00 0.54 C ATOM 895 CH2 TRP A 77 12.977 2.595 -3.636 1.00 0.50 C ATOM 0 H TRP A 77 6.033 2.657 -4.279 1.00 0.18 H new ATOM 0 HA TRP A 77 8.288 4.240 -3.801 1.00 0.23 H new ATOM 0 HB2 TRP A 77 7.206 2.636 -6.054 1.00 0.26 H new ATOM 0 HB3 TRP A 77 8.429 3.826 -6.454 1.00 0.26 H new ATOM 0 HD1 TRP A 77 8.148 0.354 -5.387 1.00 0.32 H new ATOM 0 HE1 TRP A 77 10.370 -0.587 -4.463 1.00 0.32 H new ATOM 0 HE3 TRP A 77 10.602 4.779 -4.721 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 12.819 0.465 -3.564 1.00 0.38 H new ATOM 0 HZ3 TRP A 77 12.888 4.735 -3.811 1.00 0.54 H new ATOM 0 HH2 TRP A 77 13.980 2.605 -3.236 1.00 0.50 H new ATOM 906 N ALA A 78 5.960 5.597 -5.710 1.00 0.24 N ATOM 907 CA ALA A 78 5.495 6.861 -6.267 1.00 0.27 C ATOM 908 C ALA A 78 5.599 7.961 -5.215 1.00 0.29 C ATOM 909 O ALA A 78 6.109 9.049 -5.485 1.00 0.39 O ATOM 910 CB ALA A 78 4.062 6.733 -6.777 1.00 0.27 C ATOM 0 H ALA A 78 5.307 4.821 -5.819 1.00 0.24 H new ATOM 0 HA ALA A 78 6.128 7.125 -7.114 1.00 0.27 H new ATOM 0 HB1 ALA A 78 3.736 7.688 -7.188 1.00 0.27 H new ATOM 0 HB2 ALA A 78 4.019 5.970 -7.554 1.00 0.27 H new ATOM 0 HB3 ALA A 78 3.407 6.450 -5.953 1.00 0.27 H new ATOM 916 N ALA A 79 5.148 7.652 -3.998 1.00 0.24 N ATOM 917 CA ALA A 79 5.224 8.588 -2.892 1.00 0.24 C ATOM 918 C ALA A 79 6.683 8.857 -2.573 1.00 0.25 C ATOM 919 O ALA A 79 7.099 10.002 -2.397 1.00 0.32 O ATOM 920 CB ALA A 79 4.500 8.030 -1.676 1.00 0.23 C ATOM 0 H ALA A 79 4.726 6.755 -3.760 1.00 0.24 H new ATOM 0 HA ALA A 79 4.738 9.524 -3.169 1.00 0.24 H new ATOM 0 HB1 ALA A 79 4.566 8.743 -0.854 1.00 0.23 H new ATOM 0 HB2 ALA A 79 3.453 7.857 -1.924 1.00 0.23 H new ATOM 0 HB3 ALA A 79 4.962 7.089 -1.377 1.00 0.23 H new ATOM 926 N VAL A 80 7.458 7.779 -2.515 1.00 0.21 N ATOM 927 CA VAL A 80 8.871 7.865 -2.237 1.00 0.22 C ATOM 928 C VAL A 80 9.574 8.730 -3.282 1.00 0.26 C ATOM 929 O VAL A 80 10.351 9.613 -2.940 1.00 0.31 O ATOM 930 CB VAL A 80 9.500 6.460 -2.182 1.00 0.19 C ATOM 931 CG1 VAL A 80 11.004 6.559 -2.006 1.00 0.19 C ATOM 932 CG2 VAL A 80 8.879 5.665 -1.046 1.00 0.20 C ATOM 0 H VAL A 80 7.118 6.828 -2.660 1.00 0.21 H new ATOM 0 HA VAL A 80 9.000 8.335 -1.262 1.00 0.22 H new ATOM 0 HB VAL A 80 9.302 5.945 -3.122 1.00 0.19 H new ATOM 0 HG11 VAL A 80 11.433 5.558 -1.969 1.00 0.19 H new ATOM 0 HG12 VAL A 80 11.433 7.107 -2.845 1.00 0.19 H new ATOM 0 HG13 VAL A 80 11.228 7.084 -1.077 1.00 0.19 H new ATOM 0 HG21 VAL A 80 9.326 4.672 -1.010 1.00 0.20 H new ATOM 0 HG22 VAL A 80 9.059 6.178 -0.102 1.00 0.20 H new ATOM 0 HG23 VAL A 80 7.805 5.574 -1.210 1.00 0.20 H new ATOM 942 N LYS A 81 9.294 8.481 -4.555 1.00 0.25 N ATOM 943 CA LYS A 81 9.902 9.252 -5.635 1.00 0.31 C ATOM 944 C LYS A 81 9.423 10.702 -5.624 1.00 0.40 C ATOM 945 O LYS A 81 10.019 11.565 -6.267 1.00 0.66 O ATOM 946 CB LYS A 81 9.562 8.624 -6.984 1.00 0.36 C ATOM 947 CG LYS A 81 10.163 7.245 -7.188 1.00 0.45 C ATOM 948 CD LYS A 81 9.297 6.393 -8.103 1.00 0.73 C ATOM 949 CE LYS A 81 9.922 5.031 -8.361 1.00 0.68 C ATOM 950 NZ LYS A 81 10.189 4.804 -9.807 1.00 1.55 N ATOM 0 H LYS A 81 8.651 7.753 -4.866 1.00 0.25 H new ATOM 0 HA LYS A 81 10.981 9.241 -5.480 1.00 0.31 H new ATOM 0 HB2 LYS A 81 8.478 8.555 -7.079 1.00 0.36 H new ATOM 0 HB3 LYS A 81 9.911 9.283 -7.779 1.00 0.36 H new ATOM 0 HG2 LYS A 81 11.161 7.341 -7.615 1.00 0.45 H new ATOM 0 HG3 LYS A 81 10.275 6.749 -6.224 1.00 0.45 H new ATOM 0 HD2 LYS A 81 8.312 6.262 -7.654 1.00 0.73 H new ATOM 0 HD3 LYS A 81 9.149 6.911 -9.051 1.00 0.73 H new ATOM 0 HE2 LYS A 81 10.855 4.949 -7.803 1.00 0.68 H new ATOM 0 HE3 LYS A 81 9.258 4.251 -7.988 1.00 0.68 H new ATOM 0 HZ1 LYS A 81 10.615 3.864 -9.938 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 9.296 4.856 -10.337 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 10.843 5.532 -10.158 1.00 1.55 H new ATOM 964 N HIS A 82 8.350 10.962 -4.889 1.00 0.32 N ATOM 965 CA HIS A 82 7.799 12.308 -4.796 1.00 0.37 C ATOM 966 C HIS A 82 8.505 13.101 -3.701 1.00 0.61 C ATOM 967 O HIS A 82 8.909 14.245 -3.904 1.00 1.20 O ATOM 968 CB HIS A 82 6.296 12.249 -4.512 1.00 0.54 C ATOM 969 CG HIS A 82 5.549 13.470 -4.953 1.00 0.67 C ATOM 970 ND1 HIS A 82 4.957 13.585 -6.194 1.00 1.21 N ATOM 971 CD2 HIS A 82 5.294 14.635 -4.310 1.00 1.16 C ATOM 972 CE1 HIS A 82 4.370 14.765 -6.294 1.00 1.10 C ATOM 973 NE2 HIS A 82 4.560 15.422 -5.166 1.00 1.00 N ATOM 0 H HIS A 82 7.844 10.260 -4.349 1.00 0.32 H new ATOM 0 HA HIS A 82 7.959 12.810 -5.750 1.00 0.37 H new ATOM 0 HB2 HIS A 82 5.875 11.377 -5.012 1.00 0.54 H new ATOM 0 HB3 HIS A 82 6.143 12.108 -3.442 1.00 0.54 H new ATOM 0 HD2 HIS A 82 5.609 14.897 -3.311 1.00 1.16 H new ATOM 0 HE1 HIS A 82 3.827 15.129 -7.153 1.00 1.10 H new ATOM 0 HE2 HIS A 82 4.218 16.361 -4.962 1.00 1.00 H new ATOM 981 N GLU A 83 8.644 12.472 -2.540 1.00 0.36 N ATOM 982 CA GLU A 83 9.294 13.096 -1.391 1.00 0.48 C ATOM 983 C GLU A 83 10.769 12.717 -1.318 1.00 0.45 C ATOM 984 O GLU A 83 11.532 13.322 -0.571 1.00 0.86 O ATOM 985 CB GLU A 83 8.582 12.675 -0.107 1.00 0.65 C ATOM 986 CG GLU A 83 7.102 12.397 -0.310 1.00 0.70 C ATOM 987 CD GLU A 83 6.247 12.874 0.848 1.00 0.99 C ATOM 988 OE1 GLU A 83 6.372 14.055 1.231 1.00 1.34 O ATOM 989 OE2 GLU A 83 5.455 12.064 1.374 1.00 1.20 O ATOM 0 H GLU A 83 8.313 11.523 -2.368 1.00 0.36 H new ATOM 0 HA GLU A 83 9.230 14.178 -1.507 1.00 0.48 H new ATOM 0 HB2 GLU A 83 9.062 11.781 0.291 1.00 0.65 H new ATOM 0 HB3 GLU A 83 8.699 13.460 0.640 1.00 0.65 H new ATOM 0 HG2 GLU A 83 6.768 12.884 -1.226 1.00 0.70 H new ATOM 0 HG3 GLU A 83 6.954 11.326 -0.447 1.00 0.70 H new ATOM 996 N TYR A 84 11.153 11.697 -2.077 1.00 0.32 N ATOM 997 CA TYR A 84 12.533 11.217 -2.086 1.00 0.35 C ATOM 998 C TYR A 84 13.037 10.994 -3.513 1.00 0.39 C ATOM 999 O TYR A 84 12.273 10.642 -4.410 1.00 0.45 O ATOM 1000 CB TYR A 84 12.650 9.927 -1.264 1.00 0.30 C ATOM 1001 CG TYR A 84 12.642 10.165 0.230 1.00 0.26 C ATOM 1002 CD1 TYR A 84 11.448 10.315 0.921 1.00 0.29 C ATOM 1003 CD2 TYR A 84 13.827 10.260 0.946 1.00 0.36 C ATOM 1004 CE1 TYR A 84 11.440 10.553 2.285 1.00 0.32 C ATOM 1005 CE2 TYR A 84 13.824 10.502 2.306 1.00 0.36 C ATOM 1006 CZ TYR A 84 12.629 10.648 2.970 1.00 0.29 C ATOM 1007 OH TYR A 84 12.622 10.892 4.324 1.00 0.36 O ATOM 0 H TYR A 84 10.526 11.184 -2.697 1.00 0.32 H new ATOM 0 HA TYR A 84 13.160 11.983 -1.631 1.00 0.35 H new ATOM 0 HB2 TYR A 84 11.825 9.263 -1.523 1.00 0.30 H new ATOM 0 HB3 TYR A 84 13.571 9.413 -1.538 1.00 0.30 H new ATOM 0 HD1 TYR A 84 10.512 10.245 0.387 1.00 0.29 H new ATOM 0 HD2 TYR A 84 14.769 10.143 0.431 1.00 0.36 H new ATOM 0 HE1 TYR A 84 10.503 10.664 2.810 1.00 0.32 H new ATOM 0 HE2 TYR A 84 14.757 10.576 2.846 1.00 0.36 H new ATOM 0 HH TYR A 84 13.544 10.928 4.655 1.00 0.36 H new ATOM 1017 N ALA A 85 14.337 11.210 -3.702 1.00 0.44 N ATOM 1018 CA ALA A 85 14.974 11.043 -5.006 1.00 0.51 C ATOM 1019 C ALA A 85 16.121 10.044 -4.941 1.00 0.64 C ATOM 1020 O ALA A 85 16.838 9.985 -3.947 1.00 0.68 O ATOM 1021 CB ALA A 85 15.493 12.384 -5.507 1.00 0.52 C ATOM 0 H ALA A 85 14.974 11.504 -2.962 1.00 0.44 H new ATOM 0 HA ALA A 85 14.224 10.657 -5.697 1.00 0.51 H new ATOM 0 HB1 ALA A 85 15.966 12.251 -6.480 1.00 0.52 H new ATOM 0 HB2 ALA A 85 14.662 13.084 -5.601 1.00 0.52 H new ATOM 0 HB3 ALA A 85 16.222 12.779 -4.800 1.00 0.52 H new ATOM 1027 N LYS A 86 16.316 9.286 -6.019 1.00 0.80 N ATOM 1028 CA LYS A 86 17.410 8.321 -6.075 1.00 1.00 C ATOM 1029 C LYS A 86 18.639 8.967 -6.686 1.00 1.41 C ATOM 1030 O LYS A 86 18.608 9.403 -7.837 1.00 1.94 O ATOM 1031 CB LYS A 86 17.029 7.093 -6.898 1.00 1.31 C ATOM 1032 CG LYS A 86 17.979 5.923 -6.707 1.00 1.31 C ATOM 1033 CD LYS A 86 17.495 4.682 -7.440 1.00 1.52 C ATOM 1034 CE LYS A 86 18.268 4.456 -8.730 1.00 2.11 C ATOM 1035 NZ LYS A 86 17.367 4.150 -9.875 1.00 3.09 N ATOM 0 H LYS A 86 15.736 9.321 -6.857 1.00 0.80 H new ATOM 0 HA LYS A 86 17.623 8.002 -5.055 1.00 1.00 H new ATOM 0 HB2 LYS A 86 16.020 6.781 -6.627 1.00 1.31 H new ATOM 0 HB3 LYS A 86 17.006 7.365 -7.953 1.00 1.31 H new ATOM 0 HG2 LYS A 86 18.970 6.196 -7.069 1.00 1.31 H new ATOM 0 HG3 LYS A 86 18.077 5.703 -5.644 1.00 1.31 H new ATOM 0 HD2 LYS A 86 17.603 3.811 -6.793 1.00 1.52 H new ATOM 0 HD3 LYS A 86 16.433 4.782 -7.664 1.00 1.52 H new ATOM 0 HE2 LYS A 86 18.857 5.344 -8.960 1.00 2.11 H new ATOM 0 HE3 LYS A 86 18.971 3.634 -8.592 1.00 2.11 H new ATOM 0 HZ1 LYS A 86 17.935 4.003 -10.734 1.00 3.09 H new ATOM 0 HZ2 LYS A 86 16.823 3.288 -9.668 1.00 3.09 H new ATOM 0 HZ3 LYS A 86 16.713 4.945 -10.024 1.00 3.09 H new ATOM 1049 N GLY A 87 19.726 9.025 -5.928 1.00 1.29 N ATOM 1050 CA GLY A 87 20.932 9.621 -6.451 1.00 1.77 C ATOM 1051 C GLY A 87 21.458 8.854 -7.643 1.00 2.25 C ATOM 1052 O GLY A 87 20.774 7.972 -8.163 1.00 2.39 O ATOM 0 H GLY A 87 19.792 8.674 -4.973 1.00 1.29 H new ATOM 0 HA2 GLY A 87 20.733 10.653 -6.740 1.00 1.77 H new ATOM 0 HA3 GLY A 87 21.693 9.649 -5.671 1.00 1.77 H new ATOM 1056 N ASP A 88 22.661 9.184 -8.092 1.00 2.65 N ATOM 1057 CA ASP A 88 23.244 8.510 -9.243 1.00 3.15 C ATOM 1058 C ASP A 88 23.894 7.179 -8.866 1.00 2.99 C ATOM 1059 O ASP A 88 24.859 6.761 -9.502 1.00 3.40 O ATOM 1060 CB ASP A 88 24.271 9.417 -9.928 1.00 3.64 C ATOM 1061 CG ASP A 88 25.286 9.991 -8.958 1.00 3.89 C ATOM 1062 OD1 ASP A 88 25.769 9.239 -8.085 1.00 4.30 O ATOM 1063 OD2 ASP A 88 25.601 11.194 -9.074 1.00 4.11 O ATOM 0 H ASP A 88 23.248 9.909 -7.680 1.00 2.65 H new ATOM 0 HA ASP A 88 22.430 8.294 -9.934 1.00 3.15 H new ATOM 0 HB2 ASP A 88 24.792 8.850 -10.700 1.00 3.64 H new ATOM 0 HB3 ASP A 88 23.751 10.234 -10.429 1.00 3.64 H new ATOM 1068 N ASP A 89 23.361 6.498 -7.847 1.00 2.50 N ATOM 1069 CA ASP A 89 23.913 5.213 -7.444 1.00 2.33 C ATOM 1070 C ASP A 89 22.815 4.159 -7.370 1.00 1.98 C ATOM 1071 O ASP A 89 22.561 3.431 -8.331 1.00 1.80 O ATOM 1072 CB ASP A 89 24.655 5.345 -6.107 1.00 2.17 C ATOM 1073 CG ASP A 89 25.576 6.551 -6.077 1.00 2.86 C ATOM 1074 OD1 ASP A 89 25.066 7.682 -5.925 1.00 3.51 O ATOM 1075 OD2 ASP A 89 26.803 6.365 -6.206 1.00 3.11 O ATOM 0 H ASP A 89 22.561 6.813 -7.298 1.00 2.50 H new ATOM 0 HA ASP A 89 24.633 4.889 -8.195 1.00 2.33 H new ATOM 0 HB2 ASP A 89 23.929 5.424 -5.297 1.00 2.17 H new ATOM 0 HB3 ASP A 89 25.237 4.441 -5.926 1.00 2.17 H new ATOM 1080 N ASP A 90 22.163 4.102 -6.231 1.00 2.01 N ATOM 1081 CA ASP A 90 21.073 3.174 -5.993 1.00 1.83 C ATOM 1082 C ASP A 90 20.474 3.466 -4.632 1.00 1.46 C ATOM 1083 O ASP A 90 19.922 2.591 -3.972 1.00 1.56 O ATOM 1084 CB ASP A 90 21.566 1.731 -6.064 1.00 2.05 C ATOM 1085 CG ASP A 90 20.858 0.927 -7.138 1.00 2.47 C ATOM 1086 OD1 ASP A 90 21.179 1.116 -8.330 1.00 2.68 O ATOM 1087 OD2 ASP A 90 19.984 0.108 -6.784 1.00 2.98 O ATOM 0 H ASP A 90 22.374 4.703 -5.434 1.00 2.01 H new ATOM 0 HA ASP A 90 20.312 3.301 -6.763 1.00 1.83 H new ATOM 0 HB2 ASP A 90 22.638 1.726 -6.259 1.00 2.05 H new ATOM 0 HB3 ASP A 90 21.415 1.251 -5.097 1.00 2.05 H new ATOM 1092 N LYS A 91 20.597 4.723 -4.233 1.00 1.26 N ATOM 1093 CA LYS A 91 20.082 5.183 -2.960 1.00 0.94 C ATOM 1094 C LYS A 91 19.159 6.368 -3.159 1.00 0.97 C ATOM 1095 O LYS A 91 19.222 7.047 -4.181 1.00 1.41 O ATOM 1096 CB LYS A 91 21.238 5.583 -2.059 1.00 1.05 C ATOM 1097 CG LYS A 91 21.690 4.477 -1.129 1.00 0.97 C ATOM 1098 CD LYS A 91 22.752 4.963 -0.153 1.00 1.26 C ATOM 1099 CE LYS A 91 23.920 3.993 -0.072 1.00 1.48 C ATOM 1100 NZ LYS A 91 24.862 4.349 1.024 1.00 2.02 N ATOM 0 H LYS A 91 21.056 5.448 -4.784 1.00 1.26 H new ATOM 0 HA LYS A 91 19.518 4.374 -2.496 1.00 0.94 H new ATOM 0 HB2 LYS A 91 22.080 5.893 -2.678 1.00 1.05 H new ATOM 0 HB3 LYS A 91 20.943 6.448 -1.465 1.00 1.05 H new ATOM 0 HG2 LYS A 91 20.833 4.095 -0.574 1.00 0.97 H new ATOM 0 HG3 LYS A 91 22.086 3.648 -1.715 1.00 0.97 H new ATOM 0 HD2 LYS A 91 23.113 5.943 -0.465 1.00 1.26 H new ATOM 0 HD3 LYS A 91 22.310 5.085 0.836 1.00 1.26 H new ATOM 0 HE2 LYS A 91 23.543 2.983 0.087 1.00 1.48 H new ATOM 0 HE3 LYS A 91 24.454 3.988 -1.022 1.00 1.48 H new ATOM 0 HZ1 LYS A 91 25.644 3.664 1.046 1.00 2.02 H new ATOM 0 HZ2 LYS A 91 25.242 5.303 0.859 1.00 2.02 H new ATOM 0 HZ3 LYS A 91 24.359 4.329 1.934 1.00 2.02 H new ATOM 1114 N TRP A 92 18.300 6.608 -2.184 1.00 0.52 N ATOM 1115 CA TRP A 92 17.356 7.712 -2.265 1.00 0.45 C ATOM 1116 C TRP A 92 17.569 8.726 -1.143 1.00 0.43 C ATOM 1117 O TRP A 92 18.104 8.398 -0.086 1.00 0.52 O ATOM 1118 CB TRP A 92 15.921 7.182 -2.222 1.00 0.42 C ATOM 1119 CG TRP A 92 15.599 6.230 -3.335 1.00 0.49 C ATOM 1120 CD1 TRP A 92 16.036 4.944 -3.464 1.00 0.60 C ATOM 1121 CD2 TRP A 92 14.771 6.486 -4.475 1.00 0.53 C ATOM 1122 NE1 TRP A 92 15.534 4.386 -4.613 1.00 0.72 N ATOM 1123 CE2 TRP A 92 14.754 5.311 -5.253 1.00 0.68 C ATOM 1124 CE3 TRP A 92 14.042 7.595 -4.916 1.00 0.52 C ATOM 1125 CZ2 TRP A 92 14.037 5.217 -6.443 1.00 0.79 C ATOM 1126 CZ3 TRP A 92 13.330 7.498 -6.096 1.00 0.62 C ATOM 1127 CH2 TRP A 92 13.332 6.315 -6.848 1.00 0.75 C ATOM 0 H TRP A 92 18.235 6.056 -1.329 1.00 0.52 H new ATOM 0 HA TRP A 92 17.529 8.223 -3.212 1.00 0.45 H new ATOM 0 HB2 TRP A 92 15.756 6.682 -1.268 1.00 0.42 H new ATOM 0 HB3 TRP A 92 15.230 8.024 -2.264 1.00 0.42 H new ATOM 0 HD1 TRP A 92 16.683 4.438 -2.763 1.00 0.60 H new ATOM 0 HE1 TRP A 92 15.713 3.436 -4.938 1.00 0.72 H new ATOM 0 HE3 TRP A 92 14.036 8.511 -4.344 1.00 0.52 H new ATOM 0 HZ2 TRP A 92 14.038 4.308 -7.026 1.00 0.79 H new ATOM 0 HZ3 TRP A 92 12.762 8.348 -6.445 1.00 0.62 H new ATOM 0 HH2 TRP A 92 12.765 6.271 -7.766 1.00 0.75 H new ATOM 1138 N HIS A 93 17.126 9.955 -1.392 1.00 0.40 N ATOM 1139 CA HIS A 93 17.232 11.045 -0.425 1.00 0.48 C ATOM 1140 C HIS A 93 15.995 11.931 -0.535 1.00 0.48 C ATOM 1141 O HIS A 93 15.491 12.152 -1.635 1.00 0.46 O ATOM 1142 CB HIS A 93 18.500 11.861 -0.673 1.00 0.62 C ATOM 1143 CG HIS A 93 18.570 12.454 -2.046 1.00 0.75 C ATOM 1144 ND1 HIS A 93 18.480 13.807 -2.287 1.00 1.11 N ATOM 1145 CD2 HIS A 93 18.730 11.866 -3.257 1.00 0.83 C ATOM 1146 CE1 HIS A 93 18.580 14.031 -3.585 1.00 1.15 C ATOM 1147 NE2 HIS A 93 18.732 12.870 -4.195 1.00 0.95 N ATOM 0 H HIS A 93 16.683 10.224 -2.270 1.00 0.40 H new ATOM 0 HA HIS A 93 17.292 10.631 0.582 1.00 0.48 H new ATOM 0 HB2 HIS A 93 18.557 12.662 0.064 1.00 0.62 H new ATOM 0 HB3 HIS A 93 19.370 11.223 -0.517 1.00 0.62 H new ATOM 0 HD2 HIS A 93 18.836 10.808 -3.448 1.00 0.83 H new ATOM 0 HE1 HIS A 93 18.544 14.998 -4.065 1.00 1.15 H new ATOM 0 HE2 HIS A 93 18.834 12.739 -5.201 1.00 0.95 H new ATOM 1155 N LYS A 94 15.471 12.402 0.593 1.00 0.49 N ATOM 1156 CA LYS A 94 14.255 13.209 0.563 1.00 0.48 C ATOM 1157 C LYS A 94 14.384 14.447 -0.304 1.00 0.49 C ATOM 1158 O LYS A 94 15.233 15.310 -0.080 1.00 0.51 O ATOM 1159 CB LYS A 94 13.785 13.624 1.954 1.00 0.58 C ATOM 1160 CG LYS A 94 12.286 13.895 1.985 1.00 0.57 C ATOM 1161 CD LYS A 94 11.832 14.461 3.321 1.00 0.75 C ATOM 1162 CE LYS A 94 10.338 14.251 3.527 1.00 0.86 C ATOM 1163 NZ LYS A 94 9.747 15.268 4.442 1.00 0.93 N ATOM 0 H LYS A 94 15.860 12.243 1.522 1.00 0.49 H new ATOM 0 HA LYS A 94 13.506 12.552 0.120 1.00 0.48 H new ATOM 0 HB2 LYS A 94 14.028 12.838 2.669 1.00 0.58 H new ATOM 0 HB3 LYS A 94 14.323 14.518 2.268 1.00 0.58 H new ATOM 0 HG2 LYS A 94 12.029 14.594 1.190 1.00 0.57 H new ATOM 0 HG3 LYS A 94 11.747 12.970 1.782 1.00 0.57 H new ATOM 0 HD2 LYS A 94 12.384 13.981 4.129 1.00 0.75 H new ATOM 0 HD3 LYS A 94 12.062 15.526 3.365 1.00 0.75 H new ATOM 0 HE2 LYS A 94 9.831 14.294 2.563 1.00 0.86 H new ATOM 0 HE3 LYS A 94 10.166 13.255 3.934 1.00 0.86 H new ATOM 0 HZ1 LYS A 94 8.729 15.086 4.553 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 10.212 15.211 5.371 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 9.887 16.218 4.042 1.00 0.93 H new ATOM 1177 N LYS A 95 13.495 14.521 -1.282 1.00 0.52 N ATOM 1178 CA LYS A 95 13.429 15.635 -2.193 1.00 0.58 C ATOM 1179 C LYS A 95 12.652 16.783 -1.552 1.00 0.68 C ATOM 1180 O LYS A 95 13.234 17.716 -0.999 1.00 0.93 O ATOM 1181 CB LYS A 95 12.762 15.197 -3.486 1.00 0.56 C ATOM 1182 CG LYS A 95 13.742 14.671 -4.512 1.00 0.56 C ATOM 1183 CD LYS A 95 14.260 15.786 -5.402 1.00 0.65 C ATOM 1184 CE LYS A 95 13.512 15.826 -6.724 1.00 0.96 C ATOM 1185 NZ LYS A 95 14.247 16.615 -7.753 1.00 1.87 N ATOM 0 H LYS A 95 12.796 13.800 -1.461 1.00 0.52 H new ATOM 0 HA LYS A 95 14.438 15.982 -2.418 1.00 0.58 H new ATOM 0 HB2 LYS A 95 12.027 14.423 -3.264 1.00 0.56 H new ATOM 0 HB3 LYS A 95 12.218 16.041 -3.911 1.00 0.56 H new ATOM 0 HG2 LYS A 95 14.578 14.189 -4.006 1.00 0.56 H new ATOM 0 HG3 LYS A 95 13.258 13.910 -5.124 1.00 0.56 H new ATOM 0 HD2 LYS A 95 14.152 16.743 -4.891 1.00 0.65 H new ATOM 0 HD3 LYS A 95 15.324 15.642 -5.588 1.00 0.65 H new ATOM 0 HE2 LYS A 95 13.360 14.809 -7.086 1.00 0.96 H new ATOM 0 HE3 LYS A 95 12.524 16.261 -6.570 1.00 0.96 H new ATOM 0 HZ1 LYS A 95 13.705 16.619 -8.640 1.00 1.87 H new ATOM 0 HZ2 LYS A 95 14.370 17.592 -7.419 1.00 1.87 H new ATOM 0 HZ3 LYS A 95 15.180 16.186 -7.919 1.00 1.87 H new ATOM 1199 N SER A 96 11.325 16.695 -1.625 1.00 0.74 N ATOM 1200 CA SER A 96 10.451 17.714 -1.052 1.00 0.87 C ATOM 1201 C SER A 96 10.308 17.521 0.456 1.00 0.86 C ATOM 1202 O SER A 96 9.654 18.368 1.099 1.00 1.19 O ATOM 1203 CB SER A 96 9.073 17.664 -1.713 1.00 1.27 C ATOM 1204 OG SER A 96 8.981 18.603 -2.771 1.00 1.84 O ATOM 1205 OXT SER A 96 10.851 16.524 0.979 1.00 1.65 O ATOM 0 H SER A 96 10.831 15.925 -2.077 1.00 0.74 H new ATOM 0 HA SER A 96 10.902 18.689 -1.237 1.00 0.87 H new ATOM 0 HB2 SER A 96 8.886 16.661 -2.096 1.00 1.27 H new ATOM 0 HB3 SER A 96 8.302 17.871 -0.971 1.00 1.27 H new ATOM 0 HG SER A 96 8.091 18.550 -3.179 1.00 1.84 H new