USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 67 SER OG : rot -170:sc= 0.747 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 145:sc= 0.916 (180deg=-0.246) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -113:sc= -2.1 (180deg=-2.27) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.94) USER MOD Single : A 14 ASN : amide:sc= -0.936 X(o=-0.94,f=-0.62) USER MOD Single : A 16 SER OG : rot -140:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.34 K(o=-1.3,f=-13!) USER MOD Single : A 26 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.53) USER MOD Single : A 27 HIS : no HE2:sc= 0.732 K(o=0.73,f=-3.3!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 44 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-0.27) USER MOD Single : A 52 CYS SG : rot -30:sc= -4.86! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.967 -3.237 2.202 1.00 64.54 N ATOM 2 CA GLY A 1 -11.195 -3.130 0.941 1.00 63.31 C ATOM 3 C GLY A 1 -11.621 -4.169 -0.083 1.00 45.41 C ATOM 4 O GLY A 1 -10.994 -5.224 -0.190 1.00 52.30 O ATOM 0 H1 GLY A 1 -11.643 -2.509 2.870 1.00 64.54 H new ATOM 0 H2 GLY A 1 -12.978 -3.098 2.003 1.00 64.54 H new ATOM 0 H3 GLY A 1 -11.822 -4.179 2.619 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -11.326 -2.133 0.520 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -10.133 -3.248 1.156 1.00 63.31 H new ATOM 10 N PRO A 2 -12.692 -3.903 -0.856 1.00 71.21 N ATOM 11 CA PRO A 2 -13.196 -4.849 -1.853 1.00 1.44 C ATOM 12 C PRO A 2 -12.329 -4.886 -3.116 1.00 72.44 C ATOM 13 O PRO A 2 -12.434 -4.019 -3.986 1.00 54.42 O ATOM 14 CB PRO A 2 -14.602 -4.318 -2.163 1.00 51.43 C ATOM 15 CG PRO A 2 -14.499 -2.845 -1.932 1.00 23.45 C ATOM 16 CD PRO A 2 -13.496 -2.661 -0.819 1.00 11.23 C ATOM 0 HA PRO A 2 -13.189 -5.876 -1.487 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -14.894 -4.540 -3.189 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -15.351 -4.771 -1.513 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -14.175 -2.331 -2.837 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -15.467 -2.426 -1.657 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -12.876 -1.779 -0.981 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -13.988 -2.532 0.145 1.00 11.23 H new ATOM 24 N GLY A 3 -11.452 -5.880 -3.189 1.00 40.44 N ATOM 25 CA GLY A 3 -10.612 -6.072 -4.359 1.00 52.53 C ATOM 26 C GLY A 3 -10.371 -7.543 -4.621 1.00 44.43 C ATOM 27 O GLY A 3 -10.047 -8.286 -3.700 1.00 41.21 O ATOM 0 H GLY A 3 -11.306 -6.566 -2.448 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -11.086 -5.617 -5.229 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -9.659 -5.564 -4.213 1.00 52.53 H new ATOM 31 N SER A 4 -10.530 -7.961 -5.869 1.00 41.10 N ATOM 32 CA SER A 4 -10.421 -9.368 -6.249 1.00 64.44 C ATOM 33 C SER A 4 -9.002 -9.919 -6.028 1.00 54.20 C ATOM 34 O SER A 4 -8.063 -9.165 -5.755 1.00 10.33 O ATOM 35 CB SER A 4 -10.828 -9.523 -7.720 1.00 64.41 C ATOM 36 OG SER A 4 -12.107 -8.953 -7.949 1.00 10.53 O ATOM 0 H SER A 4 -10.738 -7.337 -6.648 1.00 41.10 H new ATOM 0 HA SER A 4 -11.090 -9.946 -5.612 1.00 64.44 H new ATOM 0 HB2 SER A 4 -10.089 -9.040 -8.360 1.00 64.41 H new ATOM 0 HB3 SER A 4 -10.841 -10.579 -7.990 1.00 64.41 H new ATOM 0 HG SER A 4 -12.349 -9.060 -8.893 1.00 10.53 H new ATOM 42 N MET A 5 -8.869 -11.246 -6.109 1.00 31.34 N ATOM 43 CA MET A 5 -7.567 -11.911 -6.033 1.00 4.33 C ATOM 44 C MET A 5 -6.764 -11.648 -7.301 1.00 34.52 C ATOM 45 O MET A 5 -5.705 -11.021 -7.269 1.00 40.22 O ATOM 46 CB MET A 5 -7.751 -13.429 -5.854 1.00 72.43 C ATOM 47 CG MET A 5 -6.476 -14.244 -6.086 1.00 13.45 C ATOM 48 SD MET A 5 -5.209 -13.936 -4.845 1.00 24.43 S ATOM 49 CE MET A 5 -6.004 -14.658 -3.417 1.00 72.00 C ATOM 0 H MET A 5 -9.655 -11.885 -6.228 1.00 31.34 H new ATOM 0 HA MET A 5 -7.028 -11.510 -5.175 1.00 4.33 H new ATOM 0 HB2 MET A 5 -8.116 -13.624 -4.845 1.00 72.43 H new ATOM 0 HB3 MET A 5 -8.521 -13.775 -6.544 1.00 72.43 H new ATOM 0 HG2 MET A 5 -6.725 -15.305 -6.088 1.00 13.45 H new ATOM 0 HG3 MET A 5 -6.076 -14.009 -7.072 1.00 13.45 H new ATOM 0 HE1 MET A 5 -6.247 -13.873 -2.700 1.00 72.00 H new ATOM 0 HE2 MET A 5 -6.919 -15.163 -3.727 1.00 72.00 H new ATOM 0 HE3 MET A 5 -5.331 -15.379 -2.952 1.00 72.00 H new ATOM 59 N SER A 6 -7.282 -12.163 -8.409 1.00 74.20 N ATOM 60 CA SER A 6 -6.674 -11.967 -9.722 1.00 0.11 C ATOM 61 C SER A 6 -6.846 -10.516 -10.179 1.00 25.10 C ATOM 62 O SER A 6 -7.722 -9.799 -9.684 1.00 15.20 O ATOM 63 CB SER A 6 -7.310 -12.931 -10.734 1.00 43.50 C ATOM 64 OG SER A 6 -7.184 -14.278 -10.295 1.00 53.04 O ATOM 0 H SER A 6 -8.132 -12.726 -8.425 1.00 74.20 H new ATOM 0 HA SER A 6 -5.607 -12.177 -9.656 1.00 0.11 H new ATOM 0 HB2 SER A 6 -8.363 -12.684 -10.866 1.00 43.50 H new ATOM 0 HB3 SER A 6 -6.830 -12.814 -11.706 1.00 43.50 H new ATOM 0 HG SER A 6 -7.597 -14.876 -10.952 1.00 53.04 H new ATOM 70 N ILE A 7 -5.993 -10.089 -11.111 1.00 31.23 N ATOM 71 CA ILE A 7 -6.014 -8.722 -11.616 1.00 15.14 C ATOM 72 C ILE A 7 -7.347 -8.422 -12.305 1.00 55.21 C ATOM 73 O ILE A 7 -7.531 -8.704 -13.491 1.00 65.33 O ATOM 74 CB ILE A 7 -4.839 -8.455 -12.597 1.00 4.15 C ATOM 75 CG1 ILE A 7 -3.494 -8.794 -11.930 1.00 23.20 C ATOM 76 CG2 ILE A 7 -4.852 -7.003 -13.081 1.00 34.01 C ATOM 77 CD1 ILE A 7 -3.196 -7.981 -10.684 1.00 34.15 C ATOM 0 H ILE A 7 -5.275 -10.678 -11.532 1.00 31.23 H new ATOM 0 HA ILE A 7 -5.897 -8.058 -10.760 1.00 15.14 H new ATOM 0 HB ILE A 7 -4.966 -9.101 -13.466 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -3.487 -9.853 -11.670 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -2.693 -8.638 -12.653 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -4.020 -6.840 -13.766 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -5.791 -6.799 -13.595 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -4.754 -6.334 -12.226 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -2.231 -8.281 -10.276 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -3.169 -6.922 -10.939 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -3.974 -8.155 -9.941 1.00 34.15 H new ATOM 89 N ASN A 8 -8.279 -7.888 -11.529 1.00 54.12 N ATOM 90 CA ASN A 8 -9.598 -7.501 -12.024 1.00 25.44 C ATOM 91 C ASN A 8 -9.763 -5.989 -11.877 1.00 50.11 C ATOM 92 O ASN A 8 -9.311 -5.427 -10.881 1.00 64.43 O ATOM 93 CB ASN A 8 -10.690 -8.255 -11.240 1.00 20.10 C ATOM 94 CG ASN A 8 -12.104 -7.887 -11.668 1.00 43.15 C ATOM 95 OD1 ASN A 8 -12.716 -6.976 -11.115 1.00 32.04 O ATOM 96 ND2 ASN A 8 -12.629 -8.596 -12.655 1.00 53.11 N ATOM 0 H ASN A 8 -8.144 -7.709 -10.534 1.00 54.12 H new ATOM 0 HA ASN A 8 -9.694 -7.764 -13.077 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -10.546 -9.327 -11.371 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -10.574 -8.045 -10.177 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -13.574 -8.394 -12.982 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -12.089 -9.345 -13.089 1.00 53.11 H new ATOM 103 N PRO A 9 -10.383 -5.312 -12.874 1.00 24.42 N ATOM 104 CA PRO A 9 -10.547 -3.849 -12.882 1.00 34.30 C ATOM 105 C PRO A 9 -10.934 -3.249 -11.520 1.00 64.14 C ATOM 106 O PRO A 9 -12.115 -3.144 -11.174 1.00 71.44 O ATOM 107 CB PRO A 9 -11.658 -3.637 -13.914 1.00 41.24 C ATOM 108 CG PRO A 9 -11.451 -4.737 -14.898 1.00 53.41 C ATOM 109 CD PRO A 9 -10.962 -5.922 -14.097 1.00 62.43 C ATOM 0 HA PRO A 9 -9.609 -3.345 -13.117 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -12.645 -3.693 -13.455 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -11.581 -2.658 -14.388 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -12.378 -4.974 -15.420 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -10.722 -4.451 -15.657 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -11.777 -6.605 -13.856 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -10.217 -6.497 -14.648 1.00 62.43 H new ATOM 117 N PHE A 10 -9.910 -2.905 -10.748 1.00 40.41 N ATOM 118 CA PHE A 10 -10.043 -2.145 -9.511 1.00 31.52 C ATOM 119 C PHE A 10 -8.848 -1.205 -9.441 1.00 72.32 C ATOM 120 O PHE A 10 -7.723 -1.651 -9.203 1.00 51.11 O ATOM 121 CB PHE A 10 -10.082 -3.082 -8.295 1.00 3.43 C ATOM 122 CG PHE A 10 -10.257 -2.364 -6.979 1.00 33.53 C ATOM 123 CD1 PHE A 10 -11.482 -1.811 -6.636 1.00 51.51 C ATOM 124 CD2 PHE A 10 -9.197 -2.237 -6.091 1.00 15.31 C ATOM 125 CE1 PHE A 10 -11.647 -1.150 -5.436 1.00 54.40 C ATOM 126 CE2 PHE A 10 -9.358 -1.574 -4.891 1.00 50.24 C ATOM 127 CZ PHE A 10 -10.584 -1.029 -4.562 1.00 35.42 C ATOM 0 H PHE A 10 -8.945 -3.151 -10.969 1.00 40.41 H new ATOM 0 HA PHE A 10 -10.976 -1.582 -9.499 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -10.898 -3.793 -8.422 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -9.158 -3.660 -8.263 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -12.316 -1.899 -7.316 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -8.236 -2.662 -6.342 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -12.607 -0.727 -5.180 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -8.525 -1.481 -4.209 1.00 50.24 H new ATOM 0 HZ PHE A 10 -10.711 -0.510 -3.624 1.00 35.42 H new ATOM 137 N ASP A 11 -9.097 0.083 -9.675 1.00 1.54 N ATOM 138 CA ASP A 11 -8.038 1.033 -10.021 1.00 3.31 C ATOM 139 C ASP A 11 -7.408 0.560 -11.334 1.00 75.40 C ATOM 140 O ASP A 11 -6.393 -0.137 -11.343 1.00 13.31 O ATOM 141 CB ASP A 11 -6.983 1.175 -8.905 1.00 60.33 C ATOM 142 CG ASP A 11 -7.550 1.788 -7.627 1.00 70.42 C ATOM 143 OD1 ASP A 11 -8.187 1.054 -6.837 1.00 63.02 O ATOM 144 OD2 ASP A 11 -7.367 3.003 -7.402 1.00 15.20 O ATOM 0 H ASP A 11 -10.029 0.495 -9.631 1.00 1.54 H new ATOM 0 HA ASP A 11 -8.466 2.029 -10.139 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -6.567 0.193 -8.678 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -6.161 1.794 -9.265 1.00 60.33 H new ATOM 149 N ASP A 12 -8.064 0.932 -12.435 1.00 41.24 N ATOM 150 CA ASP A 12 -7.854 0.317 -13.755 1.00 42.44 C ATOM 151 C ASP A 12 -6.386 0.076 -14.109 1.00 73.54 C ATOM 152 O ASP A 12 -5.604 1.011 -14.276 1.00 63.12 O ATOM 153 CB ASP A 12 -8.500 1.169 -14.856 1.00 5.22 C ATOM 154 CG ASP A 12 -10.016 1.187 -14.770 1.00 31.25 C ATOM 155 OD1 ASP A 12 -10.663 0.278 -15.327 1.00 14.35 O ATOM 156 OD2 ASP A 12 -10.568 2.117 -14.145 1.00 43.52 O ATOM 0 H ASP A 12 -8.763 1.675 -12.440 1.00 41.24 H new ATOM 0 HA ASP A 12 -8.330 -0.662 -13.693 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -8.124 2.190 -14.787 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -8.200 0.784 -15.831 1.00 5.22 H new ATOM 161 N ASP A 13 -6.043 -1.201 -14.231 1.00 11.11 N ATOM 162 CA ASP A 13 -4.760 -1.627 -14.790 1.00 23.12 C ATOM 163 C ASP A 13 -4.822 -1.536 -16.306 1.00 30.54 C ATOM 164 O ASP A 13 -3.805 -1.512 -17.000 1.00 12.41 O ATOM 165 CB ASP A 13 -4.481 -3.071 -14.389 1.00 74.53 C ATOM 166 CG ASP A 13 -5.372 -4.076 -15.112 1.00 12.31 C ATOM 167 OD1 ASP A 13 -6.600 -4.064 -14.871 1.00 73.14 O ATOM 168 OD2 ASP A 13 -4.848 -4.880 -15.917 1.00 60.13 O ATOM 0 H ASP A 13 -6.645 -1.973 -13.946 1.00 11.11 H new ATOM 0 HA ASP A 13 -3.967 -0.983 -14.410 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -3.437 -3.304 -14.598 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -4.623 -3.177 -13.313 1.00 74.53 H new ATOM 173 N ASN A 14 -6.049 -1.469 -16.783 1.00 10.01 N ATOM 174 CA ASN A 14 -6.370 -1.442 -18.218 1.00 44.32 C ATOM 175 C ASN A 14 -5.916 -0.148 -18.908 1.00 62.12 C ATOM 176 O ASN A 14 -6.298 0.114 -20.054 1.00 31.00 O ATOM 177 CB ASN A 14 -7.888 -1.618 -18.419 1.00 31.51 C ATOM 178 CG ASN A 14 -8.387 -3.003 -18.030 1.00 23.43 C ATOM 179 OD1 ASN A 14 -7.680 -4.000 -18.175 1.00 1.41 O ATOM 180 ND2 ASN A 14 -9.616 -3.077 -17.536 1.00 73.33 N ATOM 0 H ASN A 14 -6.873 -1.431 -16.184 1.00 10.01 H new ATOM 0 HA ASN A 14 -5.824 -2.266 -18.677 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -8.416 -0.869 -17.828 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -8.134 -1.430 -19.464 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -10.002 -3.981 -17.263 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -10.175 -2.230 -17.429 1.00 73.33 H new ATOM 187 N GLY A 15 -5.105 0.657 -18.224 1.00 55.21 N ATOM 188 CA GLY A 15 -4.492 1.812 -18.859 1.00 55.10 C ATOM 189 C GLY A 15 -3.622 1.389 -20.032 1.00 5.11 C ATOM 190 O GLY A 15 -2.476 0.991 -19.844 1.00 2.02 O ATOM 0 H GLY A 15 -4.862 0.530 -17.242 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -5.267 2.496 -19.204 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -3.889 2.355 -18.131 1.00 55.10 H new ATOM 194 N SER A 16 -4.185 1.449 -21.236 1.00 4.14 N ATOM 195 CA SER A 16 -3.532 0.924 -22.431 1.00 63.44 C ATOM 196 C SER A 16 -2.245 1.685 -22.768 1.00 71.32 C ATOM 197 O SER A 16 -1.199 1.069 -22.979 1.00 2.12 O ATOM 198 CB SER A 16 -4.523 0.962 -23.591 1.00 1.03 C ATOM 199 OG SER A 16 -5.764 0.401 -23.189 1.00 70.32 O ATOM 0 H SER A 16 -5.102 1.861 -21.410 1.00 4.14 H new ATOM 0 HA SER A 16 -3.231 -0.107 -22.242 1.00 63.44 H new ATOM 0 HB2 SER A 16 -4.670 1.990 -23.921 1.00 1.03 H new ATOM 0 HB3 SER A 16 -4.123 0.408 -24.440 1.00 1.03 H new ATOM 0 HG SER A 16 -6.129 -0.142 -23.918 1.00 70.32 H new ATOM 205 N PHE A 17 -2.326 3.020 -22.831 1.00 33.31 N ATOM 206 CA PHE A 17 -1.130 3.860 -22.988 1.00 3.42 C ATOM 207 C PHE A 17 -0.258 3.775 -21.734 1.00 71.15 C ATOM 208 O PHE A 17 -0.414 2.855 -20.933 1.00 4.05 O ATOM 209 CB PHE A 17 -1.549 5.314 -23.249 1.00 25.25 C ATOM 210 CG PHE A 17 -0.526 6.140 -23.995 1.00 23.11 C ATOM 211 CD1 PHE A 17 0.114 5.626 -25.118 1.00 3.25 C ATOM 212 CD2 PHE A 17 -0.225 7.435 -23.594 1.00 74.21 C ATOM 213 CE1 PHE A 17 1.027 6.386 -25.823 1.00 25.21 C ATOM 214 CE2 PHE A 17 0.691 8.196 -24.294 1.00 70.22 C ATOM 215 CZ PHE A 17 1.317 7.672 -25.410 1.00 45.40 C ATOM 0 H PHE A 17 -3.202 3.540 -22.776 1.00 33.31 H new ATOM 0 HA PHE A 17 -0.550 3.501 -23.838 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -2.480 5.314 -23.816 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -1.758 5.795 -22.294 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -0.106 4.620 -25.443 1.00 3.25 H new ATOM 0 HD2 PHE A 17 -0.713 7.852 -22.725 1.00 74.21 H new ATOM 0 HE1 PHE A 17 1.513 5.976 -26.696 1.00 25.21 H new ATOM 0 HE2 PHE A 17 0.918 9.201 -23.969 1.00 70.22 H new ATOM 0 HZ PHE A 17 2.032 8.268 -25.958 1.00 45.40 H new ATOM 225 N PHE A 18 0.624 4.745 -21.518 1.00 10.51 N ATOM 226 CA PHE A 18 1.624 4.613 -20.469 1.00 50.04 C ATOM 227 C PHE A 18 1.531 5.779 -19.516 1.00 10.14 C ATOM 228 O PHE A 18 1.363 6.931 -19.927 1.00 64.22 O ATOM 229 CB PHE A 18 3.049 4.508 -21.048 1.00 0.03 C ATOM 230 CG PHE A 18 3.534 5.686 -21.869 1.00 53.34 C ATOM 231 CD1 PHE A 18 3.978 6.856 -21.261 1.00 52.42 C ATOM 232 CD2 PHE A 18 3.582 5.605 -23.255 1.00 61.11 C ATOM 233 CE1 PHE A 18 4.445 7.915 -22.015 1.00 42.02 C ATOM 234 CE2 PHE A 18 4.056 6.661 -24.010 1.00 74.44 C ATOM 235 CZ PHE A 18 4.487 7.816 -23.389 1.00 11.54 C ATOM 0 H PHE A 18 0.666 5.617 -22.046 1.00 10.51 H new ATOM 0 HA PHE A 18 1.420 3.688 -19.929 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.743 4.360 -20.221 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.099 3.615 -21.670 1.00 0.03 H new ATOM 0 HD1 PHE A 18 3.957 6.937 -20.184 1.00 52.42 H new ATOM 0 HD2 PHE A 18 3.245 4.706 -23.749 1.00 61.11 H new ATOM 0 HE1 PHE A 18 4.777 8.820 -21.528 1.00 42.02 H new ATOM 0 HE2 PHE A 18 4.089 6.583 -25.087 1.00 74.44 H new ATOM 0 HZ PHE A 18 4.857 8.641 -23.979 1.00 11.54 H new ATOM 245 N VAL A 19 1.618 5.458 -18.230 1.00 64.01 N ATOM 246 CA VAL A 19 1.297 6.416 -17.179 1.00 61.04 C ATOM 247 C VAL A 19 2.205 6.239 -15.961 1.00 43.40 C ATOM 248 O VAL A 19 2.376 5.126 -15.439 1.00 52.44 O ATOM 249 CB VAL A 19 -0.196 6.302 -16.743 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.140 6.733 -17.871 1.00 65.33 C ATOM 251 CG2 VAL A 19 -0.527 4.881 -16.293 1.00 2.33 C ATOM 0 H VAL A 19 1.908 4.541 -17.890 1.00 64.01 H new ATOM 0 HA VAL A 19 1.465 7.409 -17.596 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.342 6.977 -15.899 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.173 6.642 -17.536 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.936 7.769 -18.140 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.983 6.095 -18.740 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -1.574 4.829 -15.994 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -0.349 4.188 -17.115 1.00 2.33 H new ATOM 0 HG23 VAL A 19 0.106 4.610 -15.448 1.00 2.33 H new ATOM 261 N LEU A 20 2.788 7.350 -15.530 1.00 71.33 N ATOM 262 CA LEU A 20 3.637 7.396 -14.349 1.00 52.24 C ATOM 263 C LEU A 20 2.886 8.095 -13.219 1.00 2.41 C ATOM 264 O LEU A 20 2.292 9.152 -13.429 1.00 61.32 O ATOM 265 CB LEU A 20 4.932 8.158 -14.665 1.00 34.34 C ATOM 266 CG LEU A 20 5.951 8.223 -13.518 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.460 6.828 -13.176 1.00 45.00 C ATOM 268 CD2 LEU A 20 7.103 9.158 -13.876 1.00 31.20 C ATOM 0 H LEU A 20 2.683 8.252 -15.995 1.00 71.33 H new ATOM 0 HA LEU A 20 3.892 6.381 -14.044 1.00 52.24 H new ATOM 0 HB2 LEU A 20 5.409 7.690 -15.526 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.673 9.176 -14.957 1.00 34.34 H new ATOM 0 HG LEU A 20 5.455 8.626 -12.635 1.00 23.03 H new ATOM 0 HD11 LEU A 20 7.181 6.893 -12.361 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.623 6.200 -12.870 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.940 6.391 -14.051 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.815 9.191 -13.051 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.603 8.792 -14.773 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.715 10.160 -14.060 1.00 31.20 H new ATOM 280 N VAL A 21 2.897 7.506 -12.033 1.00 52.14 N ATOM 281 CA VAL A 21 2.193 8.077 -10.891 1.00 71.23 C ATOM 282 C VAL A 21 3.155 8.358 -9.747 1.00 12.22 C ATOM 283 O VAL A 21 3.901 7.477 -9.316 1.00 72.33 O ATOM 284 CB VAL A 21 1.069 7.137 -10.390 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.325 7.750 -9.201 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.102 6.808 -11.521 1.00 14.24 C ATOM 0 H VAL A 21 3.385 6.633 -11.834 1.00 52.14 H new ATOM 0 HA VAL A 21 1.745 9.012 -11.227 1.00 71.23 H new ATOM 0 HB VAL A 21 1.531 6.210 -10.052 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -0.458 7.068 -8.871 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.025 7.922 -8.383 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.122 8.698 -9.501 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.681 6.146 -11.150 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.347 7.728 -11.895 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.642 6.314 -12.329 1.00 14.24 H new ATOM 296 N ASN A 22 3.135 9.594 -9.272 1.00 5.53 N ATOM 297 CA ASN A 22 3.917 9.991 -8.112 1.00 74.14 C ATOM 298 C ASN A 22 3.203 9.512 -6.851 1.00 13.30 C ATOM 299 O ASN A 22 1.970 9.504 -6.801 1.00 42.42 O ATOM 300 CB ASN A 22 4.082 11.522 -8.085 1.00 33.32 C ATOM 301 CG ASN A 22 5.031 12.007 -6.997 1.00 72.42 C ATOM 302 OD1 ASN A 22 5.214 11.356 -5.970 1.00 41.10 O ATOM 303 ND2 ASN A 22 5.626 13.170 -7.202 1.00 14.32 N ATOM 0 H ASN A 22 2.579 10.347 -9.678 1.00 5.53 H new ATOM 0 HA ASN A 22 4.909 9.541 -8.163 1.00 74.14 H new ATOM 0 HB2 ASN A 22 4.450 11.858 -9.054 1.00 33.32 H new ATOM 0 HB3 ASN A 22 3.105 11.983 -7.938 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.258 13.551 -6.497 1.00 14.32 H new ATOM 0 HD22 ASN A 22 5.453 13.686 -8.065 1.00 14.32 H new ATOM 310 N ASP A 23 3.969 9.117 -5.839 1.00 70.14 N ATOM 311 CA ASP A 23 3.402 8.637 -4.576 1.00 12.10 C ATOM 312 C ASP A 23 2.539 9.721 -3.923 1.00 71.41 C ATOM 313 O ASP A 23 1.703 9.432 -3.059 1.00 71.12 O ATOM 314 CB ASP A 23 4.517 8.200 -3.619 1.00 34.54 C ATOM 315 CG ASP A 23 3.979 7.468 -2.398 1.00 42.35 C ATOM 316 OD1 ASP A 23 3.566 6.294 -2.539 1.00 24.14 O ATOM 317 OD2 ASP A 23 3.967 8.048 -1.290 1.00 1.54 O ATOM 0 H ASP A 23 4.989 9.119 -5.866 1.00 70.14 H new ATOM 0 HA ASP A 23 2.770 7.776 -4.793 1.00 12.10 H new ATOM 0 HB2 ASP A 23 5.215 7.552 -4.150 1.00 34.54 H new ATOM 0 HB3 ASP A 23 5.079 9.076 -3.296 1.00 34.54 H new ATOM 322 N GLU A 24 2.743 10.968 -4.359 1.00 62.34 N ATOM 323 CA GLU A 24 1.947 12.110 -3.906 1.00 11.53 C ATOM 324 C GLU A 24 0.531 12.073 -4.501 1.00 61.53 C ATOM 325 O GLU A 24 -0.251 13.006 -4.311 1.00 72.22 O ATOM 326 CB GLU A 24 2.643 13.430 -4.290 1.00 73.32 C ATOM 327 CG GLU A 24 4.040 13.596 -3.696 1.00 13.22 C ATOM 328 CD GLU A 24 4.683 14.929 -4.063 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.325 15.020 -5.134 1.00 51.24 O ATOM 330 OE2 GLU A 24 4.553 15.896 -3.279 1.00 11.22 O ATOM 0 H GLU A 24 3.465 11.213 -5.036 1.00 62.34 H new ATOM 0 HA GLU A 24 1.862 12.050 -2.821 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.713 13.488 -5.376 1.00 73.32 H new ATOM 0 HB3 GLU A 24 2.021 14.264 -3.965 1.00 73.32 H new ATOM 0 HG2 GLU A 24 3.981 13.513 -2.611 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.677 12.783 -4.044 1.00 13.22 H new ATOM 337 N GLU A 25 0.224 10.993 -5.230 1.00 62.13 N ATOM 338 CA GLU A 25 -1.110 10.759 -5.792 1.00 0.22 C ATOM 339 C GLU A 25 -1.398 11.708 -6.958 1.00 61.13 C ATOM 340 O GLU A 25 -2.390 12.440 -6.955 1.00 70.13 O ATOM 341 CB GLU A 25 -2.196 10.874 -4.704 1.00 4.34 C ATOM 342 CG GLU A 25 -1.996 9.903 -3.546 1.00 45.50 C ATOM 343 CD GLU A 25 -3.095 9.988 -2.502 1.00 73.30 C ATOM 344 OE1 GLU A 25 -4.115 9.291 -2.649 1.00 62.44 O ATOM 345 OE2 GLU A 25 -2.938 10.743 -1.521 1.00 32.12 O ATOM 0 H GLU A 25 0.895 10.256 -5.447 1.00 62.13 H new ATOM 0 HA GLU A 25 -1.130 9.741 -6.182 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -2.206 11.893 -4.317 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -3.172 10.695 -5.155 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -1.951 8.886 -3.936 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.036 10.105 -3.072 1.00 45.50 H new ATOM 352 N GLN A 26 -0.517 11.679 -7.956 1.00 10.22 N ATOM 353 CA GLN A 26 -0.701 12.461 -9.180 1.00 54.01 C ATOM 354 C GLN A 26 -0.201 11.659 -10.381 1.00 30.13 C ATOM 355 O GLN A 26 0.900 11.102 -10.345 1.00 21.03 O ATOM 356 CB GLN A 26 0.042 13.806 -9.091 1.00 31.13 C ATOM 357 CG GLN A 26 -0.189 14.718 -10.297 1.00 12.34 C ATOM 358 CD GLN A 26 -1.634 15.178 -10.422 1.00 24.51 C ATOM 359 OE1 GLN A 26 -2.333 15.360 -9.426 1.00 3.34 O ATOM 360 NE2 GLN A 26 -2.093 15.361 -11.650 1.00 4.44 N ATOM 0 H GLN A 26 0.336 11.120 -7.942 1.00 10.22 H new ATOM 0 HA GLN A 26 -1.763 12.671 -9.303 1.00 54.01 H new ATOM 0 HB2 GLN A 26 -0.275 14.327 -8.187 1.00 31.13 H new ATOM 0 HB3 GLN A 26 1.110 13.615 -8.991 1.00 31.13 H new ATOM 0 HG2 GLN A 26 0.459 15.591 -10.216 1.00 12.34 H new ATOM 0 HG3 GLN A 26 0.099 14.190 -11.206 1.00 12.34 H new ATOM 0 HE21 GLN A 26 -1.483 15.200 -12.452 1.00 4.44 H new ATOM 0 HE22 GLN A 26 -3.056 15.663 -11.795 1.00 4.44 H new ATOM 369 N HIS A 27 -1.014 11.588 -11.435 1.00 62.23 N ATOM 370 CA HIS A 27 -0.656 10.829 -12.636 1.00 32.31 C ATOM 371 C HIS A 27 -0.155 11.763 -13.737 1.00 32.43 C ATOM 372 O HIS A 27 -0.704 12.850 -13.942 1.00 70.43 O ATOM 373 CB HIS A 27 -1.852 10.001 -13.145 1.00 4.31 C ATOM 374 CG HIS A 27 -2.943 10.806 -13.789 1.00 71.13 C ATOM 375 ND1 HIS A 27 -3.956 11.405 -13.080 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.184 11.093 -15.091 1.00 74.11 C ATOM 377 CE1 HIS A 27 -4.770 12.023 -13.909 1.00 60.13 C ATOM 378 NE2 HIS A 27 -4.326 11.851 -15.136 1.00 72.25 N ATOM 0 H HIS A 27 -1.924 12.046 -11.483 1.00 62.23 H new ATOM 0 HA HIS A 27 0.147 10.143 -12.368 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -1.488 9.267 -13.864 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.275 9.446 -12.308 1.00 4.31 H new ATOM 0 HD1 HIS A 27 -4.061 11.375 -12.066 1.00 63.43 H new ATOM 0 HD2 HIS A 27 -2.588 10.783 -15.936 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.653 12.578 -13.630 1.00 60.13 H new ATOM 387 N SER A 28 0.888 11.330 -14.435 1.00 43.31 N ATOM 388 CA SER A 28 1.484 12.085 -15.534 1.00 70.43 C ATOM 389 C SER A 28 2.191 11.118 -16.487 1.00 3.04 C ATOM 390 O SER A 28 2.054 9.900 -16.350 1.00 45.11 O ATOM 391 CB SER A 28 2.470 13.136 -14.992 1.00 24.32 C ATOM 392 OG SER A 28 1.827 14.030 -14.095 1.00 33.21 O ATOM 0 H SER A 28 1.349 10.438 -14.254 1.00 43.31 H new ATOM 0 HA SER A 28 0.700 12.611 -16.078 1.00 70.43 H new ATOM 0 HB2 SER A 28 3.294 12.637 -14.483 1.00 24.32 H new ATOM 0 HB3 SER A 28 2.900 13.697 -15.822 1.00 24.32 H new ATOM 0 HG SER A 28 2.476 14.686 -13.765 1.00 33.21 H new ATOM 398 N LEU A 29 2.915 11.656 -17.465 1.00 3.41 N ATOM 399 CA LEU A 29 3.702 10.839 -18.395 1.00 62.52 C ATOM 400 C LEU A 29 5.194 11.090 -18.168 1.00 23.32 C ATOM 401 O LEU A 29 5.571 12.092 -17.556 1.00 31.35 O ATOM 402 CB LEU A 29 3.329 11.149 -19.859 1.00 32.03 C ATOM 403 CG LEU A 29 1.913 10.725 -20.309 1.00 23.25 C ATOM 404 CD1 LEU A 29 0.831 11.577 -19.649 1.00 5.44 C ATOM 405 CD2 LEU A 29 1.790 10.792 -21.830 1.00 25.14 C ATOM 0 H LEU A 29 2.975 12.660 -17.637 1.00 3.41 H new ATOM 0 HA LEU A 29 3.478 9.789 -18.205 1.00 62.52 H new ATOM 0 HB2 LEU A 29 3.432 12.222 -20.018 1.00 32.03 H new ATOM 0 HB3 LEU A 29 4.055 10.660 -20.508 1.00 32.03 H new ATOM 0 HG LEU A 29 1.763 9.694 -19.989 1.00 23.25 H new ATOM 0 HD11 LEU A 29 -0.150 11.248 -19.991 1.00 5.44 H new ATOM 0 HD12 LEU A 29 0.893 11.469 -18.566 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.977 12.623 -19.918 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.786 10.490 -22.127 1.00 25.14 H new ATOM 0 HD22 LEU A 29 1.976 11.812 -22.166 1.00 25.14 H new ATOM 0 HD23 LEU A 29 2.520 10.122 -22.284 1.00 25.14 H new ATOM 417 N TRP A 30 6.040 10.188 -18.662 1.00 23.42 N ATOM 418 CA TRP A 30 7.486 10.309 -18.490 1.00 41.14 C ATOM 419 C TRP A 30 8.190 9.960 -19.802 1.00 34.24 C ATOM 420 O TRP A 30 7.590 9.327 -20.675 1.00 3.43 O ATOM 421 CB TRP A 30 7.970 9.377 -17.359 1.00 13.11 C ATOM 422 CG TRP A 30 8.231 7.959 -17.801 1.00 12.31 C ATOM 423 CD1 TRP A 30 9.452 7.391 -18.043 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.256 6.937 -18.065 1.00 3.12 C ATOM 425 NE1 TRP A 30 9.296 6.088 -18.444 1.00 33.35 N ATOM 426 CE2 TRP A 30 7.961 5.785 -18.466 1.00 25.44 C ATOM 427 CE3 TRP A 30 5.858 6.884 -18.002 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.316 4.598 -18.804 1.00 51.20 C ATOM 429 CZ3 TRP A 30 5.223 5.702 -18.338 1.00 55.34 C ATOM 430 CH2 TRP A 30 5.951 4.575 -18.734 1.00 73.31 C ATOM 0 H TRP A 30 5.748 9.363 -19.186 1.00 23.42 H new ATOM 0 HA TRP A 30 7.728 11.336 -18.217 1.00 41.14 H new ATOM 0 HB2 TRP A 30 8.885 9.787 -16.931 1.00 13.11 H new ATOM 0 HB3 TRP A 30 7.223 9.367 -16.565 1.00 13.11 H new ATOM 0 HD1 TRP A 30 10.401 7.895 -17.934 1.00 71.00 H new ATOM 0 HE1 TRP A 30 10.053 5.448 -18.687 1.00 33.35 H new ATOM 0 HE3 TRP A 30 5.287 7.749 -17.697 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 7.875 3.726 -19.111 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 4.145 5.648 -18.294 1.00 55.34 H new ATOM 0 HH2 TRP A 30 5.424 3.668 -18.990 1.00 73.31 H new ATOM 441 N PRO A 31 9.454 10.389 -19.979 1.00 52.54 N ATOM 442 CA PRO A 31 10.261 9.976 -21.130 1.00 35.33 C ATOM 443 C PRO A 31 10.430 8.453 -21.165 1.00 43.41 C ATOM 444 O PRO A 31 11.273 7.894 -20.464 1.00 35.31 O ATOM 445 CB PRO A 31 11.611 10.686 -20.912 1.00 30.22 C ATOM 446 CG PRO A 31 11.303 11.811 -19.978 1.00 33.12 C ATOM 447 CD PRO A 31 10.186 11.319 -19.096 1.00 24.30 C ATOM 0 HA PRO A 31 9.802 10.240 -22.083 1.00 35.33 H new ATOM 0 HB2 PRO A 31 12.350 10.008 -20.485 1.00 30.22 H new ATOM 0 HB3 PRO A 31 12.021 11.054 -21.853 1.00 30.22 H new ATOM 0 HG2 PRO A 31 12.179 12.079 -19.387 1.00 33.12 H new ATOM 0 HG3 PRO A 31 11.003 12.704 -20.527 1.00 33.12 H new ATOM 0 HD2 PRO A 31 10.565 10.817 -18.206 1.00 24.30 H new ATOM 0 HD3 PRO A 31 9.551 12.136 -18.755 1.00 24.30 H new ATOM 455 N ALA A 32 9.601 7.792 -21.970 1.00 64.13 N ATOM 456 CA ALA A 32 9.564 6.329 -22.040 1.00 5.22 C ATOM 457 C ALA A 32 10.945 5.724 -22.306 1.00 54.03 C ATOM 458 O ALA A 32 11.204 4.573 -21.961 1.00 51.42 O ATOM 459 CB ALA A 32 8.578 5.889 -23.114 1.00 31.45 C ATOM 0 H ALA A 32 8.936 8.252 -22.592 1.00 64.13 H new ATOM 0 HA ALA A 32 9.237 5.961 -21.068 1.00 5.22 H new ATOM 0 HB1 ALA A 32 8.554 4.800 -23.162 1.00 31.45 H new ATOM 0 HB2 ALA A 32 7.584 6.263 -22.870 1.00 31.45 H new ATOM 0 HB3 ALA A 32 8.889 6.288 -24.079 1.00 31.45 H new ATOM 465 N PHE A 33 11.826 6.513 -22.912 1.00 65.24 N ATOM 466 CA PHE A 33 13.173 6.057 -23.248 1.00 41.30 C ATOM 467 C PHE A 33 14.164 6.400 -22.132 1.00 64.43 C ATOM 468 O PHE A 33 15.354 6.613 -22.390 1.00 54.03 O ATOM 469 CB PHE A 33 13.624 6.691 -24.569 1.00 70.23 C ATOM 470 CG PHE A 33 12.743 6.336 -25.742 1.00 14.54 C ATOM 471 CD1 PHE A 33 12.902 5.128 -26.409 1.00 34.35 C ATOM 472 CD2 PHE A 33 11.755 7.209 -26.178 1.00 21.21 C ATOM 473 CE1 PHE A 33 12.094 4.802 -27.485 1.00 3.51 C ATOM 474 CE2 PHE A 33 10.947 6.887 -27.253 1.00 25.54 C ATOM 475 CZ PHE A 33 11.117 5.684 -27.906 1.00 72.43 C ATOM 0 H PHE A 33 11.631 7.477 -23.182 1.00 65.24 H new ATOM 0 HA PHE A 33 13.151 4.973 -23.359 1.00 41.30 H new ATOM 0 HB2 PHE A 33 13.643 7.775 -24.454 1.00 70.23 H new ATOM 0 HB3 PHE A 33 14.645 6.376 -24.784 1.00 70.23 H new ATOM 0 HD1 PHE A 33 13.664 4.435 -26.085 1.00 34.35 H new ATOM 0 HD2 PHE A 33 11.616 8.152 -25.671 1.00 21.21 H new ATOM 0 HE1 PHE A 33 12.227 3.859 -27.995 1.00 3.51 H new ATOM 0 HE2 PHE A 33 10.184 7.577 -27.581 1.00 25.54 H new ATOM 0 HZ PHE A 33 10.487 5.431 -28.746 1.00 72.43 H new ATOM 485 N ALA A 34 13.669 6.445 -20.897 1.00 11.31 N ATOM 486 CA ALA A 34 14.501 6.731 -19.730 1.00 4.15 C ATOM 487 C ALA A 34 14.009 5.944 -18.514 1.00 15.35 C ATOM 488 O ALA A 34 12.855 5.507 -18.470 1.00 1.33 O ATOM 489 CB ALA A 34 14.510 8.226 -19.431 1.00 42.14 C ATOM 0 H ALA A 34 12.686 6.285 -20.677 1.00 11.31 H new ATOM 0 HA ALA A 34 15.522 6.419 -19.952 1.00 4.15 H new ATOM 0 HB1 ALA A 34 15.135 8.419 -18.559 1.00 42.14 H new ATOM 0 HB2 ALA A 34 14.909 8.766 -20.290 1.00 42.14 H new ATOM 0 HB3 ALA A 34 13.493 8.563 -19.230 1.00 42.14 H new ATOM 495 N ASP A 35 14.892 5.763 -17.535 1.00 65.10 N ATOM 496 CA ASP A 35 14.566 5.021 -16.315 1.00 21.44 C ATOM 497 C ASP A 35 14.022 5.965 -15.248 1.00 35.34 C ATOM 498 O ASP A 35 14.622 7.001 -14.957 1.00 10.32 O ATOM 499 CB ASP A 35 15.806 4.280 -15.785 1.00 10.33 C ATOM 500 CG ASP A 35 16.252 3.154 -16.704 1.00 71.31 C ATOM 501 OD1 ASP A 35 17.012 3.422 -17.663 1.00 74.13 O ATOM 502 OD2 ASP A 35 15.833 1.997 -16.480 1.00 62.15 O ATOM 0 H ASP A 35 15.846 6.122 -17.562 1.00 65.10 H new ATOM 0 HA ASP A 35 13.799 4.285 -16.556 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.624 4.990 -15.663 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.587 3.873 -14.798 1.00 10.33 H new ATOM 507 N VAL A 36 12.883 5.603 -14.668 1.00 51.02 N ATOM 508 CA VAL A 36 12.220 6.448 -13.679 1.00 14.20 C ATOM 509 C VAL A 36 12.669 6.095 -12.251 1.00 74.22 C ATOM 510 O VAL A 36 12.700 4.918 -11.876 1.00 4.35 O ATOM 511 CB VAL A 36 10.675 6.338 -13.808 1.00 52.15 C ATOM 512 CG1 VAL A 36 10.203 4.887 -13.678 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.984 7.230 -12.779 1.00 3.12 C ATOM 0 H VAL A 36 12.398 4.728 -14.866 1.00 51.02 H new ATOM 0 HA VAL A 36 12.511 7.480 -13.876 1.00 14.20 H new ATOM 0 HB VAL A 36 10.399 6.684 -14.804 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.118 4.847 -13.773 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.658 4.284 -14.464 1.00 54.14 H new ATOM 0 HG13 VAL A 36 10.496 4.495 -12.704 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.903 7.139 -12.886 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.277 6.922 -11.775 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.278 8.267 -12.940 1.00 3.12 H new ATOM 523 N PRO A 37 13.046 7.111 -11.442 1.00 42.20 N ATOM 524 CA PRO A 37 13.513 6.903 -10.061 1.00 21.34 C ATOM 525 C PRO A 37 12.398 6.435 -9.113 1.00 1.14 C ATOM 526 O PRO A 37 11.236 6.302 -9.510 1.00 71.23 O ATOM 527 CB PRO A 37 14.040 8.290 -9.631 1.00 33.33 C ATOM 528 CG PRO A 37 14.108 9.102 -10.884 1.00 74.14 C ATOM 529 CD PRO A 37 13.063 8.538 -11.805 1.00 3.15 C ATOM 0 HA PRO A 37 14.265 6.116 -10.015 1.00 21.34 H new ATOM 0 HB2 PRO A 37 13.376 8.752 -8.900 1.00 33.33 H new ATOM 0 HB3 PRO A 37 15.021 8.208 -9.163 1.00 33.33 H new ATOM 0 HG2 PRO A 37 13.917 10.155 -10.677 1.00 74.14 H new ATOM 0 HG3 PRO A 37 15.099 9.040 -11.335 1.00 74.14 H new ATOM 0 HD2 PRO A 37 12.091 9.007 -11.650 1.00 3.15 H new ATOM 0 HD3 PRO A 37 13.325 8.686 -12.853 1.00 3.15 H new ATOM 537 N ALA A 38 12.775 6.190 -7.861 1.00 5.25 N ATOM 538 CA ALA A 38 11.839 5.765 -6.823 1.00 34.34 C ATOM 539 C ALA A 38 10.916 6.915 -6.422 1.00 32.33 C ATOM 540 O ALA A 38 11.286 8.086 -6.532 1.00 13.31 O ATOM 541 CB ALA A 38 12.602 5.240 -5.613 1.00 11.05 C ATOM 0 H ALA A 38 13.738 6.280 -7.537 1.00 5.25 H new ATOM 0 HA ALA A 38 11.220 4.961 -7.221 1.00 34.34 H new ATOM 0 HB1 ALA A 38 11.895 4.926 -4.845 1.00 11.05 H new ATOM 0 HB2 ALA A 38 13.216 4.390 -5.911 1.00 11.05 H new ATOM 0 HB3 ALA A 38 13.242 6.028 -5.216 1.00 11.05 H new ATOM 547 N GLY A 39 9.715 6.571 -5.965 1.00 34.21 N ATOM 548 CA GLY A 39 8.723 7.574 -5.617 1.00 13.01 C ATOM 549 C GLY A 39 7.733 7.779 -6.739 1.00 60.32 C ATOM 550 O GLY A 39 6.549 8.029 -6.506 1.00 53.32 O ATOM 0 H GLY A 39 9.409 5.607 -5.829 1.00 34.21 H new ATOM 0 HA2 GLY A 39 8.194 7.268 -4.714 1.00 13.01 H new ATOM 0 HA3 GLY A 39 9.220 8.517 -5.391 1.00 13.01 H new ATOM 554 N TRP A 40 8.230 7.678 -7.965 1.00 51.51 N ATOM 555 CA TRP A 40 7.394 7.734 -9.149 1.00 73.43 C ATOM 556 C TRP A 40 7.167 6.313 -9.658 1.00 13.52 C ATOM 557 O TRP A 40 8.049 5.725 -10.286 1.00 74.51 O ATOM 558 CB TRP A 40 8.062 8.579 -10.241 1.00 45.14 C ATOM 559 CG TRP A 40 8.460 9.961 -9.803 1.00 44.13 C ATOM 560 CD1 TRP A 40 9.566 10.305 -9.078 1.00 34.43 C ATOM 561 CD2 TRP A 40 7.768 11.185 -10.078 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.594 11.660 -8.877 1.00 74.20 N ATOM 563 CE2 TRP A 40 8.505 12.223 -9.482 1.00 71.13 C ATOM 564 CE3 TRP A 40 6.597 11.500 -10.771 1.00 32.41 C ATOM 565 CZ2 TRP A 40 8.108 13.554 -9.556 1.00 14.53 C ATOM 566 CZ3 TRP A 40 6.202 12.822 -10.845 1.00 71.15 C ATOM 567 CH2 TRP A 40 6.957 13.837 -10.240 1.00 62.31 C ATOM 0 H TRP A 40 9.223 7.555 -8.163 1.00 51.51 H new ATOM 0 HA TRP A 40 6.440 8.197 -8.896 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.949 8.055 -10.597 1.00 45.14 H new ATOM 0 HB3 TRP A 40 7.380 8.662 -11.087 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.310 9.610 -8.716 1.00 34.43 H new ATOM 0 HE1 TRP A 40 10.312 12.167 -8.359 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.011 10.724 -11.241 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 8.688 14.337 -9.090 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 5.298 13.078 -11.377 1.00 71.15 H new ATOM 0 HH2 TRP A 40 6.624 14.862 -10.315 1.00 62.31 H new ATOM 578 N ARG A 41 6.005 5.752 -9.355 1.00 24.31 N ATOM 579 CA ARG A 41 5.690 4.381 -9.737 1.00 20.05 C ATOM 580 C ARG A 41 4.953 4.352 -11.073 1.00 55.23 C ATOM 581 O ARG A 41 3.939 5.028 -11.250 1.00 13.03 O ATOM 582 CB ARG A 41 4.845 3.712 -8.644 1.00 53.34 C ATOM 583 CG ARG A 41 4.503 2.248 -8.919 1.00 52.42 C ATOM 584 CD ARG A 41 5.748 1.368 -8.987 1.00 12.34 C ATOM 585 NE ARG A 41 6.542 1.442 -7.760 1.00 63.22 N ATOM 586 CZ ARG A 41 7.049 0.380 -7.123 1.00 44.45 C ATOM 587 NH1 ARG A 41 6.816 -0.853 -7.568 1.00 42.12 N ATOM 588 NH2 ARG A 41 7.773 0.559 -6.026 1.00 31.14 N ATOM 0 H ARG A 41 5.261 6.227 -8.843 1.00 24.31 H new ATOM 0 HA ARG A 41 6.622 3.827 -9.850 1.00 20.05 H new ATOM 0 HB2 ARG A 41 5.381 3.776 -7.697 1.00 53.34 H new ATOM 0 HB3 ARG A 41 3.918 4.273 -8.524 1.00 53.34 H new ATOM 0 HG2 ARG A 41 3.841 1.878 -8.136 1.00 52.42 H new ATOM 0 HG3 ARG A 41 3.957 2.175 -9.859 1.00 52.42 H new ATOM 0 HD2 ARG A 41 5.451 0.334 -9.165 1.00 12.34 H new ATOM 0 HD3 ARG A 41 6.362 1.674 -9.834 1.00 12.34 H new ATOM 0 HE ARG A 41 6.721 2.365 -7.364 1.00 63.22 H new ATOM 0 HH11 ARG A 41 6.246 -0.995 -8.402 1.00 42.12 H new ATOM 0 HH12 ARG A 41 7.207 -1.656 -7.075 1.00 42.12 H new ATOM 0 HH21 ARG A 41 7.940 1.501 -5.673 1.00 31.14 H new ATOM 0 HH22 ARG A 41 8.163 -0.246 -5.535 1.00 31.14 H new ATOM 602 N VAL A 42 5.467 3.571 -12.014 1.00 41.41 N ATOM 603 CA VAL A 42 4.835 3.423 -13.319 1.00 54.33 C ATOM 604 C VAL A 42 3.729 2.370 -13.249 1.00 41.04 C ATOM 605 O VAL A 42 3.945 1.263 -12.751 1.00 60.22 O ATOM 606 CB VAL A 42 5.873 3.048 -14.411 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.639 1.784 -14.036 1.00 41.04 C ATOM 608 CG2 VAL A 42 5.202 2.896 -15.774 1.00 13.44 C ATOM 0 H VAL A 42 6.323 3.028 -11.897 1.00 41.41 H new ATOM 0 HA VAL A 42 4.397 4.382 -13.594 1.00 54.33 H new ATOM 0 HB VAL A 42 6.592 3.864 -14.478 1.00 3.04 H new ATOM 0 HG11 VAL A 42 7.358 1.548 -14.821 1.00 41.04 H new ATOM 0 HG12 VAL A 42 7.167 1.944 -13.096 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.940 0.955 -13.923 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.951 2.633 -16.521 1.00 13.44 H new ATOM 0 HG22 VAL A 42 4.449 2.110 -15.723 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.726 3.836 -16.052 1.00 13.44 H new ATOM 618 N VAL A 43 2.536 2.730 -13.718 1.00 12.04 N ATOM 619 CA VAL A 43 1.395 1.815 -13.686 1.00 4.12 C ATOM 620 C VAL A 43 1.348 0.987 -14.964 1.00 0.32 C ATOM 621 O VAL A 43 1.143 -0.228 -14.924 1.00 14.03 O ATOM 622 CB VAL A 43 0.060 2.580 -13.496 1.00 51.33 C ATOM 623 CG1 VAL A 43 -1.136 1.625 -13.510 1.00 51.05 C ATOM 624 CG2 VAL A 43 0.103 3.388 -12.201 1.00 73.33 C ATOM 0 H VAL A 43 2.334 3.644 -14.123 1.00 12.04 H new ATOM 0 HA VAL A 43 1.525 1.150 -12.832 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.066 3.267 -14.333 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -2.057 2.193 -13.374 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -1.171 1.100 -14.464 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -1.033 0.902 -12.701 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -0.838 3.923 -12.074 1.00 73.33 H new ATOM 0 HG22 VAL A 43 0.254 2.715 -11.357 1.00 73.33 H new ATOM 0 HG23 VAL A 43 0.924 4.104 -12.246 1.00 73.33 H new ATOM 634 N HIS A 44 1.573 1.643 -16.098 1.00 64.55 N ATOM 635 CA HIS A 44 1.665 0.952 -17.380 1.00 44.42 C ATOM 636 C HIS A 44 2.795 1.561 -18.196 1.00 73.35 C ATOM 637 O HIS A 44 2.903 2.798 -18.290 1.00 2.12 O ATOM 638 CB HIS A 44 0.341 1.023 -18.156 1.00 33.41 C ATOM 639 CG HIS A 44 0.301 0.133 -19.369 1.00 64.22 C ATOM 640 ND1 HIS A 44 -0.303 -1.107 -19.374 1.00 63.31 N ATOM 641 CD2 HIS A 44 0.789 0.311 -20.621 1.00 24.33 C ATOM 642 CE1 HIS A 44 -0.186 -1.647 -20.574 1.00 61.35 C ATOM 643 NE2 HIS A 44 0.474 -0.807 -21.349 1.00 12.24 N ATOM 0 H HIS A 44 1.695 2.654 -16.155 1.00 64.55 H new ATOM 0 HA HIS A 44 1.873 -0.101 -17.193 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.476 0.749 -17.488 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.167 2.053 -18.467 1.00 33.41 H new ATOM 0 HD2 HIS A 44 1.328 1.176 -20.980 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -0.566 -2.613 -20.871 1.00 61.35 H new ATOM 0 HE2 HIS A 44 0.711 -0.964 -22.329 1.00 12.24 H new ATOM 652 N GLY A 45 3.632 0.687 -18.760 1.00 42.11 N ATOM 653 CA GLY A 45 4.811 1.111 -19.496 1.00 12.53 C ATOM 654 C GLY A 45 4.496 1.563 -20.907 1.00 61.03 C ATOM 655 O GLY A 45 3.330 1.601 -21.301 1.00 13.13 O ATOM 0 H GLY A 45 3.508 -0.324 -18.717 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.295 1.927 -18.958 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.524 0.288 -19.535 1.00 12.53 H new ATOM 659 N GLU A 46 5.544 1.892 -21.663 1.00 70.20 N ATOM 660 CA GLU A 46 5.409 2.465 -23.008 1.00 12.32 C ATOM 661 C GLU A 46 4.385 1.712 -23.874 1.00 41.42 C ATOM 662 O GLU A 46 4.255 0.492 -23.783 1.00 12.04 O ATOM 663 CB GLU A 46 6.788 2.548 -23.693 1.00 10.22 C ATOM 664 CG GLU A 46 7.753 1.397 -23.373 1.00 43.31 C ATOM 665 CD GLU A 46 7.271 0.030 -23.840 1.00 74.34 C ATOM 666 OE1 GLU A 46 7.406 -0.272 -25.045 1.00 62.12 O ATOM 667 OE2 GLU A 46 6.782 -0.755 -23.001 1.00 5.12 O ATOM 0 H GLU A 46 6.511 1.770 -21.363 1.00 70.20 H new ATOM 0 HA GLU A 46 5.017 3.476 -22.896 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.637 2.584 -24.772 1.00 10.22 H new ATOM 0 HB3 GLU A 46 7.261 3.487 -23.406 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.717 1.607 -23.835 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.916 1.364 -22.296 1.00 43.31 H new ATOM 674 N ALA A 47 3.657 2.458 -24.716 1.00 23.10 N ATOM 675 CA ALA A 47 2.518 1.902 -25.451 1.00 63.51 C ATOM 676 C ALA A 47 2.283 2.615 -26.786 1.00 73.41 C ATOM 677 O ALA A 47 3.020 3.533 -27.155 1.00 62.32 O ATOM 678 CB ALA A 47 1.264 1.970 -24.590 1.00 61.02 C ATOM 0 H ALA A 47 3.837 3.444 -24.903 1.00 23.10 H new ATOM 0 HA ALA A 47 2.751 0.862 -25.679 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.421 1.555 -25.142 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.418 1.395 -23.677 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.054 3.009 -24.334 1.00 61.02 H new ATOM 684 N ASP A 48 1.233 2.185 -27.491 1.00 43.44 N ATOM 685 CA ASP A 48 0.959 2.626 -28.863 1.00 51.31 C ATOM 686 C ASP A 48 -0.055 3.775 -28.930 1.00 41.22 C ATOM 687 O ASP A 48 -0.709 4.131 -27.938 1.00 41.42 O ATOM 688 CB ASP A 48 0.410 1.449 -29.685 1.00 34.15 C ATOM 689 CG ASP A 48 1.396 0.302 -29.831 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.613 -0.431 -28.841 1.00 44.10 O ATOM 691 OD2 ASP A 48 1.947 0.118 -30.935 1.00 61.52 O ATOM 0 H ASP A 48 0.549 1.522 -27.128 1.00 43.44 H new ATOM 0 HA ASP A 48 1.904 2.987 -29.269 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.499 1.078 -29.212 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.131 1.807 -30.676 1.00 34.15 H new ATOM 696 N ARG A 49 -0.199 4.327 -30.137 1.00 53.53 N ATOM 697 CA ARG A 49 -1.210 5.341 -30.426 1.00 35.31 C ATOM 698 C ARG A 49 -2.605 4.812 -30.085 1.00 63.41 C ATOM 699 O ARG A 49 -3.394 5.494 -29.443 1.00 64.05 O ATOM 700 CB ARG A 49 -1.125 5.748 -31.908 1.00 64.50 C ATOM 701 CG ARG A 49 -2.221 6.707 -32.388 1.00 25.32 C ATOM 702 CD ARG A 49 -2.328 7.963 -31.527 1.00 61.13 C ATOM 703 NE ARG A 49 -1.039 8.633 -31.335 1.00 44.12 N ATOM 704 CZ ARG A 49 -0.899 9.940 -31.108 1.00 64.24 C ATOM 705 NH1 ARG A 49 -1.947 10.750 -31.166 1.00 24.55 N ATOM 706 NH2 ARG A 49 0.297 10.439 -30.842 1.00 74.33 N ATOM 0 H ARG A 49 0.382 4.083 -30.939 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.024 6.221 -29.811 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.155 6.213 -32.085 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.162 4.846 -32.518 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.019 6.995 -33.419 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -3.179 6.187 -32.385 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.027 8.658 -31.992 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -2.742 7.697 -30.554 1.00 61.13 H new ATOM 0 HE ARG A 49 -0.194 8.063 -31.378 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -2.870 10.375 -31.386 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -1.830 11.748 -30.991 1.00 24.55 H new ATOM 0 HH21 ARG A 49 1.111 9.825 -30.811 1.00 74.33 H new ATOM 0 HH22 ARG A 49 0.406 11.438 -30.668 1.00 74.33 H new ATOM 720 N ALA A 50 -2.895 3.584 -30.501 1.00 72.03 N ATOM 721 CA ALA A 50 -4.165 2.946 -30.155 1.00 51.03 C ATOM 722 C ALA A 50 -4.331 2.895 -28.633 1.00 12.03 C ATOM 723 O ALA A 50 -5.430 3.051 -28.101 1.00 12.24 O ATOM 724 CB ALA A 50 -4.236 1.546 -30.752 1.00 12.12 C ATOM 0 H ALA A 50 -2.275 3.012 -31.074 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.981 3.536 -30.573 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -5.187 1.085 -30.486 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -4.155 1.609 -31.837 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.417 0.942 -30.361 1.00 12.12 H new ATOM 730 N ALA A 51 -3.207 2.723 -27.945 1.00 52.32 N ATOM 731 CA ALA A 51 -3.180 2.593 -26.491 1.00 4.44 C ATOM 732 C ALA A 51 -3.463 3.931 -25.799 1.00 42.22 C ATOM 733 O ALA A 51 -4.029 3.969 -24.685 1.00 11.11 O ATOM 734 CB ALA A 51 -1.834 2.041 -26.063 1.00 13.05 C ATOM 0 H ALA A 51 -2.286 2.670 -28.381 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.969 1.904 -26.189 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.810 1.942 -24.978 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.680 1.063 -26.520 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -1.044 2.720 -26.383 1.00 13.05 H new ATOM 740 N CYS A 52 -3.026 5.028 -26.428 1.00 32.44 N ATOM 741 CA CYS A 52 -3.379 6.367 -25.940 1.00 51.42 C ATOM 742 C CYS A 52 -4.852 6.659 -26.208 1.00 23.32 C ATOM 743 O CYS A 52 -5.541 7.248 -25.371 1.00 3.22 O ATOM 744 CB CYS A 52 -2.492 7.458 -26.561 1.00 61.32 C ATOM 745 SG CYS A 52 -2.742 7.739 -28.326 1.00 33.32 S ATOM 0 H CYS A 52 -2.438 5.018 -27.261 1.00 32.44 H new ATOM 0 HA CYS A 52 -3.204 6.380 -24.864 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -2.670 8.394 -26.032 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -1.448 7.192 -26.396 1.00 61.32 H new ATOM 0 HG CYS A 52 -3.110 6.629 -28.894 1.00 33.32 H new ATOM 751 N LEU A 53 -5.331 6.221 -27.369 1.00 43.35 N ATOM 752 CA LEU A 53 -6.737 6.376 -27.736 1.00 74.32 C ATOM 753 C LEU A 53 -7.634 5.659 -26.728 1.00 2.01 C ATOM 754 O LEU A 53 -8.734 6.123 -26.414 1.00 41.12 O ATOM 755 CB LEU A 53 -6.991 5.835 -29.151 1.00 44.01 C ATOM 756 CG LEU A 53 -6.236 6.559 -30.280 1.00 62.22 C ATOM 757 CD1 LEU A 53 -6.556 5.933 -31.635 1.00 70.12 C ATOM 758 CD2 LEU A 53 -6.565 8.050 -30.281 1.00 15.11 C ATOM 0 H LEU A 53 -4.763 5.753 -28.076 1.00 43.35 H new ATOM 0 HA LEU A 53 -6.977 7.439 -27.724 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -6.718 4.780 -29.173 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.060 5.892 -29.357 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.167 6.447 -30.099 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -6.011 6.461 -32.418 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -6.259 4.884 -31.631 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -7.627 6.006 -31.826 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -6.021 8.542 -31.087 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -7.636 8.186 -30.431 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -6.274 8.488 -29.326 1.00 15.11 H new ATOM 770 N GLU A 54 -7.165 4.525 -26.227 1.00 54.41 N ATOM 771 CA GLU A 54 -7.893 3.783 -25.208 1.00 14.33 C ATOM 772 C GLU A 54 -7.729 4.444 -23.840 1.00 52.22 C ATOM 773 O GLU A 54 -8.681 4.516 -23.066 1.00 22.30 O ATOM 774 CB GLU A 54 -7.429 2.326 -25.172 1.00 0.25 C ATOM 775 CG GLU A 54 -7.693 1.575 -26.472 1.00 41.53 C ATOM 776 CD GLU A 54 -7.326 0.106 -26.382 1.00 73.12 C ATOM 777 OE1 GLU A 54 -8.133 -0.677 -25.840 1.00 65.32 O ATOM 778 OE2 GLU A 54 -6.233 -0.280 -26.852 1.00 55.44 O ATOM 0 H GLU A 54 -6.283 4.099 -26.510 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.953 3.795 -25.462 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -6.361 2.298 -24.955 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -7.934 1.811 -24.355 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -8.747 1.667 -26.733 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -7.124 2.039 -27.277 1.00 41.53 H new ATOM 785 N TYR A 55 -6.521 4.937 -23.550 1.00 63.34 N ATOM 786 CA TYR A 55 -6.251 5.630 -22.283 1.00 53.30 C ATOM 787 C TYR A 55 -7.212 6.811 -22.065 1.00 12.43 C ATOM 788 O TYR A 55 -7.789 6.953 -20.983 1.00 25.40 O ATOM 789 CB TYR A 55 -4.787 6.109 -22.227 1.00 54.33 C ATOM 790 CG TYR A 55 -4.498 7.148 -21.155 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.519 6.812 -19.805 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.192 8.464 -21.497 1.00 54.33 C ATOM 793 CE1 TYR A 55 -4.247 7.753 -18.832 1.00 5.14 C ATOM 794 CE2 TYR A 55 -3.919 9.410 -20.527 1.00 14.43 C ATOM 795 CZ TYR A 55 -3.948 9.048 -19.198 1.00 71.24 C ATOM 796 OH TYR A 55 -3.668 9.985 -18.229 1.00 1.32 O ATOM 0 H TYR A 55 -5.716 4.870 -24.172 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.417 4.915 -21.477 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -4.143 5.246 -22.060 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.518 6.524 -23.198 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.752 5.799 -19.513 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.168 8.750 -22.538 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -4.268 7.476 -17.788 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.685 10.426 -20.809 1.00 14.43 H new ATOM 0 HH TYR A 55 -3.477 10.847 -18.653 1.00 1.32 H new ATOM 806 N ILE A 56 -7.377 7.655 -23.085 1.00 72.14 N ATOM 807 CA ILE A 56 -8.262 8.820 -22.976 1.00 54.34 C ATOM 808 C ILE A 56 -9.711 8.392 -22.746 1.00 35.30 C ATOM 809 O ILE A 56 -10.405 8.943 -21.883 1.00 14.25 O ATOM 810 CB ILE A 56 -8.178 9.743 -24.226 1.00 50.34 C ATOM 811 CG1 ILE A 56 -9.244 10.852 -24.156 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.326 8.942 -25.516 1.00 54.41 C ATOM 813 CD1 ILE A 56 -9.181 11.838 -25.307 1.00 32.34 C ATOM 0 H ILE A 56 -6.915 7.557 -23.989 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.917 9.390 -22.114 1.00 54.34 H new ATOM 0 HB ILE A 56 -7.192 10.208 -24.230 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -10.232 10.392 -24.138 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -9.128 11.395 -23.218 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.263 9.615 -26.371 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.529 8.201 -25.578 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.292 8.437 -25.522 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -9.963 12.588 -25.187 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -8.207 12.327 -25.314 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -9.328 11.308 -26.248 1.00 32.34 H new ATOM 825 N GLU A 57 -10.155 7.405 -23.515 1.00 31.32 N ATOM 826 CA GLU A 57 -11.512 6.880 -23.399 1.00 13.01 C ATOM 827 C GLU A 57 -11.741 6.307 -22.004 1.00 51.21 C ATOM 828 O GLU A 57 -12.735 6.618 -21.345 1.00 71.31 O ATOM 829 CB GLU A 57 -11.744 5.804 -24.470 1.00 52.35 C ATOM 830 CG GLU A 57 -13.100 5.105 -24.384 1.00 14.33 C ATOM 831 CD GLU A 57 -14.271 6.059 -24.569 1.00 72.01 C ATOM 832 OE1 GLU A 57 -14.594 6.397 -25.726 1.00 53.13 O ATOM 833 OE2 GLU A 57 -14.880 6.473 -23.560 1.00 43.21 O ATOM 0 H GLU A 57 -9.591 6.948 -24.231 1.00 31.32 H new ATOM 0 HA GLU A 57 -12.223 7.691 -23.555 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.648 6.263 -25.454 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.957 5.054 -24.390 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -13.150 4.325 -25.144 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.189 4.613 -23.416 1.00 14.33 H new ATOM 840 N GLU A 58 -10.797 5.492 -21.552 1.00 12.22 N ATOM 841 CA GLU A 58 -10.886 4.851 -20.246 1.00 60.15 C ATOM 842 C GLU A 58 -10.993 5.906 -19.145 1.00 33.10 C ATOM 843 O GLU A 58 -11.699 5.714 -18.153 1.00 31.32 O ATOM 844 CB GLU A 58 -9.658 3.956 -20.012 1.00 74.11 C ATOM 845 CG GLU A 58 -9.836 2.937 -18.890 1.00 63.14 C ATOM 846 CD GLU A 58 -10.931 1.925 -19.198 1.00 0.13 C ATOM 847 OE1 GLU A 58 -10.679 0.992 -19.992 1.00 52.44 O ATOM 848 OE2 GLU A 58 -12.051 2.062 -18.665 1.00 74.42 O ATOM 0 H GLU A 58 -9.954 5.258 -22.076 1.00 12.22 H new ATOM 0 HA GLU A 58 -11.781 4.230 -20.219 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -9.426 3.426 -20.936 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.800 4.587 -19.782 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -8.895 2.412 -18.726 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -10.076 3.458 -17.963 1.00 63.14 H new ATOM 855 N HIS A 59 -10.312 7.034 -19.359 1.00 11.51 N ATOM 856 CA HIS A 59 -10.280 8.133 -18.394 1.00 45.14 C ATOM 857 C HIS A 59 -9.644 7.669 -17.087 1.00 52.43 C ATOM 858 O HIS A 59 -10.318 7.118 -16.215 1.00 13.30 O ATOM 859 CB HIS A 59 -11.689 8.694 -18.139 1.00 40.10 C ATOM 860 CG HIS A 59 -11.718 9.839 -17.167 1.00 63.15 C ATOM 861 ND1 HIS A 59 -11.905 9.675 -15.809 1.00 32.20 N ATOM 862 CD2 HIS A 59 -11.583 11.171 -17.366 1.00 71.52 C ATOM 863 CE1 HIS A 59 -11.884 10.856 -15.216 1.00 40.20 C ATOM 864 NE2 HIS A 59 -11.689 11.777 -16.139 1.00 25.42 N ATOM 0 H HIS A 59 -9.769 7.210 -20.204 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.674 8.935 -18.815 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -12.116 9.023 -19.086 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -12.326 7.894 -17.763 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -11.422 11.665 -18.313 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -12.006 11.036 -14.158 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -11.627 12.781 -15.968 1.00 25.42 H new ATOM 873 N TRP A 60 -8.342 7.878 -16.963 1.00 72.13 N ATOM 874 CA TRP A 60 -7.598 7.406 -15.807 1.00 71.34 C ATOM 875 C TRP A 60 -7.174 8.595 -14.934 1.00 40.15 C ATOM 876 O TRP A 60 -6.271 9.351 -15.302 1.00 70.12 O ATOM 877 CB TRP A 60 -6.379 6.599 -16.276 1.00 31.04 C ATOM 878 CG TRP A 60 -5.908 5.584 -15.279 1.00 11.01 C ATOM 879 CD1 TRP A 60 -6.443 4.347 -15.066 1.00 44.10 C ATOM 880 CD2 TRP A 60 -4.813 5.710 -14.370 1.00 62.15 C ATOM 881 NE1 TRP A 60 -5.745 3.696 -14.083 1.00 64.53 N ATOM 882 CE2 TRP A 60 -4.741 4.512 -13.638 1.00 60.21 C ATOM 883 CE3 TRP A 60 -3.886 6.720 -14.105 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -3.781 4.294 -12.658 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -2.933 6.502 -13.131 1.00 24.12 C ATOM 886 CH2 TRP A 60 -2.887 5.297 -12.419 1.00 3.21 C ATOM 0 H TRP A 60 -7.777 8.374 -17.653 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.231 6.755 -15.204 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -6.627 6.091 -17.208 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -5.562 7.286 -16.495 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -7.292 3.941 -15.595 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -5.942 2.756 -13.739 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -3.914 7.652 -14.651 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.744 3.366 -12.106 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -2.210 7.274 -12.914 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -2.127 5.158 -11.664 1.00 3.21 H new ATOM 897 N PRO A 61 -7.847 8.794 -13.780 1.00 53.15 N ATOM 898 CA PRO A 61 -7.571 9.912 -12.873 1.00 60.42 C ATOM 899 C PRO A 61 -6.424 9.602 -11.907 1.00 63.32 C ATOM 900 O PRO A 61 -5.604 8.717 -12.161 1.00 74.04 O ATOM 901 CB PRO A 61 -8.897 10.059 -12.126 1.00 23.13 C ATOM 902 CG PRO A 61 -9.416 8.663 -12.024 1.00 54.12 C ATOM 903 CD PRO A 61 -8.936 7.936 -13.261 1.00 12.01 C ATOM 0 HA PRO A 61 -7.252 10.815 -13.393 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -8.752 10.503 -11.141 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -9.590 10.703 -12.667 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -9.047 8.177 -11.121 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -10.505 8.657 -11.968 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -8.576 6.935 -13.022 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -9.736 7.821 -13.992 1.00 12.01 H new ATOM 911 N ASP A 62 -6.362 10.342 -10.804 1.00 32.11 N ATOM 912 CA ASP A 62 -5.324 10.133 -9.800 1.00 14.31 C ATOM 913 C ASP A 62 -5.770 9.043 -8.836 1.00 34.34 C ATOM 914 O ASP A 62 -6.442 9.318 -7.841 1.00 74.44 O ATOM 915 CB ASP A 62 -5.019 11.430 -9.031 1.00 44.51 C ATOM 916 CG ASP A 62 -4.661 12.583 -9.949 1.00 24.42 C ATOM 917 OD1 ASP A 62 -3.629 12.496 -10.647 1.00 61.41 O ATOM 918 OD2 ASP A 62 -5.423 13.571 -10.002 1.00 14.01 O ATOM 0 H ASP A 62 -7.018 11.091 -10.583 1.00 32.11 H new ATOM 0 HA ASP A 62 -4.408 9.826 -10.306 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -5.886 11.704 -8.431 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -4.196 11.252 -8.339 1.00 44.51 H new ATOM 923 N ILE A 63 -5.434 7.803 -9.163 1.00 0.00 N ATOM 924 CA ILE A 63 -5.821 6.653 -8.353 1.00 44.50 C ATOM 925 C ILE A 63 -4.608 5.774 -8.059 1.00 32.32 C ATOM 926 O ILE A 63 -3.535 5.968 -8.636 1.00 13.12 O ATOM 927 CB ILE A 63 -6.922 5.805 -9.051 1.00 41.40 C ATOM 928 CG1 ILE A 63 -6.478 5.412 -10.469 1.00 23.02 C ATOM 929 CG2 ILE A 63 -8.248 6.564 -9.088 1.00 3.52 C ATOM 930 CD1 ILE A 63 -7.486 4.566 -11.224 1.00 43.03 C ATOM 0 H ILE A 63 -4.889 7.565 -9.992 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.227 7.037 -7.417 1.00 44.50 H new ATOM 0 HB ILE A 63 -7.072 4.893 -8.473 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -6.281 6.319 -11.040 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -5.537 4.865 -10.405 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -9.004 5.952 -9.581 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -8.568 6.787 -8.070 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -8.119 7.495 -9.640 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -7.096 4.332 -12.215 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -7.666 3.640 -10.677 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -8.421 5.117 -11.323 1.00 43.03 H new ATOM 942 N ARG A 64 -4.786 4.819 -7.155 1.00 63.13 N ATOM 943 CA ARG A 64 -3.719 3.907 -6.758 1.00 42.30 C ATOM 944 C ARG A 64 -4.322 2.630 -6.158 1.00 24.20 C ATOM 945 O ARG A 64 -5.064 2.691 -5.176 1.00 71.42 O ATOM 946 CB ARG A 64 -2.762 4.596 -5.766 1.00 5.01 C ATOM 947 CG ARG A 64 -3.425 5.084 -4.477 1.00 72.23 C ATOM 948 CD ARG A 64 -2.512 6.009 -3.675 1.00 23.51 C ATOM 949 NE ARG A 64 -1.219 5.391 -3.356 1.00 24.12 N ATOM 950 CZ ARG A 64 -0.139 6.075 -2.954 1.00 51.34 C ATOM 951 NH1 ARG A 64 -0.204 7.393 -2.792 1.00 21.41 N ATOM 952 NH2 ARG A 64 0.999 5.440 -2.707 1.00 1.45 N ATOM 0 H ARG A 64 -5.672 4.654 -6.677 1.00 63.13 H new ATOM 0 HA ARG A 64 -3.138 3.630 -7.638 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -1.964 3.900 -5.508 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -2.295 5.446 -6.263 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -4.348 5.609 -4.721 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -3.700 4.226 -3.864 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -2.343 6.925 -4.241 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -3.012 6.294 -2.749 1.00 23.51 H new ATOM 0 HE ARG A 64 -1.138 4.378 -3.446 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -1.078 7.887 -2.974 1.00 21.41 H new ATOM 0 HH12 ARG A 64 0.620 7.910 -2.486 1.00 21.41 H new ATOM 0 HH21 ARG A 64 1.054 4.428 -2.823 1.00 1.45 H new ATOM 0 HH22 ARG A 64 1.819 5.964 -2.401 1.00 1.45 H new ATOM 966 N PRO A 65 -4.024 1.460 -6.762 1.00 13.42 N ATOM 967 CA PRO A 65 -4.602 0.170 -6.349 1.00 21.15 C ATOM 968 C PRO A 65 -4.488 -0.086 -4.843 1.00 52.11 C ATOM 969 O PRO A 65 -3.388 -0.150 -4.288 1.00 62.12 O ATOM 970 CB PRO A 65 -3.785 -0.857 -7.141 1.00 31.52 C ATOM 971 CG PRO A 65 -3.337 -0.117 -8.355 1.00 32.30 C ATOM 972 CD PRO A 65 -3.102 1.304 -7.907 1.00 31.11 C ATOM 0 HA PRO A 65 -5.673 0.128 -6.548 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -2.936 -1.222 -6.562 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -4.388 -1.726 -7.405 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -2.426 -0.553 -8.765 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -4.092 -0.160 -9.140 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -2.065 1.466 -7.613 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -3.323 2.017 -8.701 1.00 31.11 H new ATOM 980 N LYS A 66 -5.638 -0.219 -4.190 1.00 32.35 N ATOM 981 CA LYS A 66 -5.684 -0.536 -2.764 1.00 12.54 C ATOM 982 C LYS A 66 -5.439 -2.030 -2.554 1.00 64.54 C ATOM 983 O LYS A 66 -4.974 -2.457 -1.495 1.00 64.34 O ATOM 984 CB LYS A 66 -7.040 -0.145 -2.147 1.00 13.42 C ATOM 985 CG LYS A 66 -7.375 1.346 -2.216 1.00 20.12 C ATOM 986 CD LYS A 66 -7.769 1.789 -3.623 1.00 14.20 C ATOM 987 CE LYS A 66 -8.081 3.282 -3.685 1.00 34.20 C ATOM 988 NZ LYS A 66 -8.458 3.714 -5.054 1.00 63.22 N ATOM 0 H LYS A 66 -6.554 -0.112 -4.626 1.00 32.35 H new ATOM 0 HA LYS A 66 -4.903 0.039 -2.267 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -7.827 -0.703 -2.654 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -7.050 -0.457 -1.103 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -8.191 1.565 -1.527 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -6.513 1.925 -1.883 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -6.960 1.558 -4.316 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -8.640 1.222 -3.951 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -8.893 3.512 -2.996 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -7.211 3.848 -3.353 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -8.579 4.747 -5.071 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -7.709 3.442 -5.722 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -9.350 3.256 -5.329 1.00 63.22 H new ATOM 1002 N SER A 67 -5.754 -2.816 -3.577 1.00 62.31 N ATOM 1003 CA SER A 67 -5.611 -4.261 -3.514 1.00 54.23 C ATOM 1004 C SER A 67 -4.158 -4.660 -3.770 1.00 53.41 C ATOM 1005 O SER A 67 -3.783 -5.001 -4.891 1.00 22.22 O ATOM 1006 CB SER A 67 -6.550 -4.926 -4.533 1.00 60.21 C ATOM 1007 OG SER A 67 -6.491 -6.336 -4.444 1.00 72.44 O ATOM 0 H SER A 67 -6.113 -2.470 -4.467 1.00 62.31 H new ATOM 0 HA SER A 67 -5.886 -4.604 -2.517 1.00 54.23 H new ATOM 0 HB2 SER A 67 -7.573 -4.591 -4.360 1.00 60.21 H new ATOM 0 HB3 SER A 67 -6.278 -4.612 -5.541 1.00 60.21 H new ATOM 0 HG SER A 67 -6.972 -6.732 -5.201 1.00 72.44 H new ATOM 1013 N LEU A 68 -3.335 -4.577 -2.727 1.00 64.11 N ATOM 1014 CA LEU A 68 -1.920 -4.937 -2.825 1.00 43.11 C ATOM 1015 C LEU A 68 -1.556 -6.002 -1.792 1.00 71.30 C ATOM 1016 O LEU A 68 -0.383 -6.196 -1.465 1.00 53.54 O ATOM 1017 CB LEU A 68 -1.040 -3.676 -2.674 1.00 3.52 C ATOM 1018 CG LEU A 68 -1.398 -2.716 -1.512 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -1.061 -3.322 -0.150 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -0.696 -1.371 -1.692 1.00 63.42 C ATOM 0 H LEU A 68 -3.624 -4.263 -1.801 1.00 64.11 H new ATOM 0 HA LEU A 68 -1.734 -5.365 -3.810 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -0.006 -3.996 -2.546 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -1.087 -3.114 -3.607 1.00 3.52 H new ATOM 0 HG LEU A 68 -2.476 -2.555 -1.540 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -1.327 -2.617 0.638 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -1.622 -4.247 -0.014 1.00 65.05 H new ATOM 0 HD13 LEU A 68 0.007 -3.535 -0.101 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -0.959 -0.710 -0.866 1.00 63.42 H new ATOM 0 HD22 LEU A 68 0.383 -1.523 -1.705 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -1.010 -0.920 -2.633 1.00 63.42 H new ATOM 1032 N ARG A 69 -2.564 -6.711 -1.299 1.00 72.54 N ATOM 1033 CA ARG A 69 -2.362 -7.739 -0.283 1.00 51.11 C ATOM 1034 C ARG A 69 -3.141 -9.002 -0.654 1.00 31.31 C ATOM 1035 O ARG A 69 -3.993 -8.969 -1.543 1.00 25.43 O ATOM 1036 CB ARG A 69 -2.801 -7.216 1.097 1.00 23.24 C ATOM 1037 CG ARG A 69 -2.320 -8.062 2.281 1.00 3.32 C ATOM 1038 CD ARG A 69 -0.850 -7.809 2.624 1.00 63.15 C ATOM 1039 NE ARG A 69 0.059 -8.074 1.501 1.00 63.40 N ATOM 1040 CZ ARG A 69 1.076 -8.941 1.545 1.00 21.44 C ATOM 1041 NH1 ARG A 69 1.284 -9.676 2.634 1.00 44.15 N ATOM 1042 NH2 ARG A 69 1.878 -9.076 0.498 1.00 11.13 N ATOM 0 H ARG A 69 -3.535 -6.593 -1.588 1.00 72.54 H new ATOM 0 HA ARG A 69 -1.302 -7.987 -0.235 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -2.431 -6.198 1.220 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -3.889 -7.164 1.122 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -2.936 -7.844 3.153 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -2.459 -9.118 2.049 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -0.731 -6.774 2.943 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -0.567 -8.437 3.468 1.00 63.15 H new ATOM 0 HE ARG A 69 -0.096 -7.564 0.631 1.00 63.40 H new ATOM 0 HH11 ARG A 69 0.666 -9.580 3.440 1.00 44.15 H new ATOM 0 HH12 ARG A 69 2.061 -10.336 2.663 1.00 44.15 H new ATOM 0 HH21 ARG A 69 1.719 -8.518 -0.341 1.00 11.13 H new ATOM 0 HH22 ARG A 69 2.654 -9.737 0.532 1.00 11.13 H new ATOM 1056 N ASP A 70 -2.834 -10.105 0.025 1.00 3.11 N ATOM 1057 CA ASP A 70 -3.490 -11.391 -0.217 1.00 55.45 C ATOM 1058 C ASP A 70 -5.009 -11.258 -0.134 1.00 61.12 C ATOM 1059 O ASP A 70 -5.529 -10.361 0.529 1.00 62.15 O ATOM 1060 CB ASP A 70 -3.010 -12.430 0.805 1.00 35.03 C ATOM 1061 CG ASP A 70 -1.501 -12.586 0.815 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -0.818 -11.729 1.419 1.00 72.12 O ATOM 1063 OD2 ASP A 70 -0.990 -13.567 0.235 1.00 32.01 O ATOM 0 H ASP A 70 -2.125 -10.134 0.758 1.00 3.11 H new ATOM 0 HA ASP A 70 -3.225 -11.718 -1.222 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -3.348 -12.139 1.800 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -3.469 -13.393 0.582 1.00 35.03 H new ATOM 1068 N LYS A 71 -5.712 -12.166 -0.799 1.00 32.23 N ATOM 1069 CA LYS A 71 -7.170 -12.124 -0.852 1.00 5.13 C ATOM 1070 C LYS A 71 -7.735 -13.528 -0.642 1.00 53.24 C ATOM 1071 O LYS A 71 -8.478 -14.043 -1.474 1.00 70.21 O ATOM 1072 CB LYS A 71 -7.623 -11.560 -2.209 1.00 1.23 C ATOM 1073 CG LYS A 71 -8.854 -10.665 -2.132 1.00 12.31 C ATOM 1074 CD LYS A 71 -8.572 -9.390 -1.336 1.00 64.40 C ATOM 1075 CE LYS A 71 -7.340 -8.650 -1.862 1.00 71.42 C ATOM 1076 NZ LYS A 71 -7.403 -8.409 -3.330 1.00 55.15 N ATOM 0 H LYS A 71 -5.295 -12.944 -1.311 1.00 32.23 H new ATOM 0 HA LYS A 71 -7.544 -11.475 -0.060 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -6.802 -10.993 -2.647 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -7.832 -12.390 -2.884 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -9.177 -10.402 -3.139 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -9.674 -11.212 -1.666 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -9.439 -8.732 -1.385 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -8.423 -9.643 -0.286 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -7.245 -7.696 -1.344 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -6.446 -9.229 -1.630 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -6.960 -7.494 -3.551 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -6.897 -9.168 -3.829 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -8.396 -8.396 -3.637 1.00 55.15 H new ATOM 1090 N LEU A 72 -7.377 -14.133 0.482 1.00 31.23 N ATOM 1091 CA LEU A 72 -7.750 -15.511 0.777 1.00 75.41 C ATOM 1092 C LEU A 72 -9.105 -15.512 1.485 1.00 62.01 C ATOM 1093 O LEU A 72 -9.248 -16.006 2.606 1.00 24.31 O ATOM 1094 CB LEU A 72 -6.659 -16.180 1.642 1.00 44.43 C ATOM 1095 CG LEU A 72 -6.471 -17.702 1.445 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -5.310 -18.215 2.295 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -7.751 -18.474 1.768 1.00 22.35 C ATOM 0 H LEU A 72 -6.823 -13.686 1.212 1.00 31.23 H new ATOM 0 HA LEU A 72 -7.835 -16.086 -0.145 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -5.709 -15.688 1.436 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -6.892 -15.996 2.691 1.00 44.43 H new ATOM 0 HG LEU A 72 -6.238 -17.871 0.394 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -5.194 -19.288 2.143 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -4.392 -17.705 2.003 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -5.515 -18.018 3.347 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -7.581 -19.540 1.618 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -8.033 -18.294 2.806 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -8.554 -18.139 1.111 1.00 22.35 H new ATOM 1109 N ALA A 73 -10.074 -14.890 0.831 1.00 21.05 N ATOM 1110 CA ALA A 73 -11.451 -14.847 1.313 1.00 32.42 C ATOM 1111 C ALA A 73 -12.379 -15.564 0.332 1.00 24.44 C ATOM 1112 O ALA A 73 -12.268 -15.384 -0.885 1.00 3.22 O ATOM 1113 CB ALA A 73 -11.900 -13.401 1.516 1.00 13.24 C ATOM 0 H ALA A 73 -9.930 -14.399 -0.051 1.00 21.05 H new ATOM 0 HA ALA A 73 -11.500 -15.360 2.273 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -12.929 -13.387 1.876 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -11.253 -12.918 2.248 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -11.839 -12.865 0.569 1.00 13.24 H new ATOM 1119 N THR A 74 -13.282 -16.384 0.862 1.00 10.11 N ATOM 1120 CA THR A 74 -14.224 -17.140 0.046 1.00 74.24 C ATOM 1121 C THR A 74 -15.640 -16.572 0.184 1.00 61.13 C ATOM 1122 O THR A 74 -16.265 -16.687 1.239 1.00 15.44 O ATOM 1123 CB THR A 74 -14.222 -18.632 0.454 1.00 41.53 C ATOM 1124 OG1 THR A 74 -12.876 -19.129 0.429 1.00 14.22 O ATOM 1125 CG2 THR A 74 -15.094 -19.465 -0.483 1.00 11.04 C ATOM 0 H THR A 74 -13.380 -16.542 1.865 1.00 10.11 H new ATOM 0 HA THR A 74 -13.909 -17.054 -0.994 1.00 74.24 H new ATOM 0 HB THR A 74 -14.633 -18.714 1.460 1.00 41.53 H new ATOM 0 HG1 THR A 74 -12.871 -20.074 0.689 1.00 14.22 H new ATOM 0 HG21 THR A 74 -15.071 -20.509 -0.169 1.00 11.04 H new ATOM 0 HG22 THR A 74 -16.120 -19.098 -0.448 1.00 11.04 H new ATOM 0 HG23 THR A 74 -14.714 -19.384 -1.501 1.00 11.04 H new ATOM 1133 N GLY A 75 -16.134 -15.952 -0.883 1.00 52.32 N ATOM 1134 CA GLY A 75 -17.465 -15.373 -0.872 1.00 72.52 C ATOM 1135 C GLY A 75 -18.403 -16.092 -1.820 1.00 42.43 C ATOM 1136 O GLY A 75 -18.747 -15.568 -2.884 1.00 43.23 O ATOM 0 H GLY A 75 -15.631 -15.840 -1.763 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -17.870 -15.414 0.139 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -17.405 -14.321 -1.149 1.00 72.52 H new ATOM 1140 N ARG A 76 -18.818 -17.296 -1.435 1.00 35.04 N ATOM 1141 CA ARG A 76 -19.700 -18.116 -2.252 1.00 4.50 C ATOM 1142 C ARG A 76 -20.780 -18.719 -1.362 1.00 12.31 C ATOM 1143 O ARG A 76 -20.541 -18.993 -0.183 1.00 73.20 O ATOM 1144 CB ARG A 76 -18.917 -19.244 -2.950 1.00 60.21 C ATOM 1145 CG ARG A 76 -19.715 -19.958 -4.040 1.00 70.14 C ATOM 1146 CD ARG A 76 -19.063 -21.269 -4.464 1.00 54.54 C ATOM 1147 NE ARG A 76 -19.190 -22.298 -3.429 1.00 2.04 N ATOM 1148 CZ ARG A 76 -18.658 -23.519 -3.509 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -17.934 -23.866 -4.564 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -18.859 -24.394 -2.536 1.00 60.43 N ATOM 0 H ARG A 76 -18.552 -17.727 -0.550 1.00 35.04 H new ATOM 0 HA ARG A 76 -20.151 -17.489 -3.021 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -18.010 -18.828 -3.389 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -18.604 -19.974 -2.203 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -20.724 -20.156 -3.679 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -19.809 -19.304 -4.907 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -19.523 -21.622 -5.387 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -18.008 -21.098 -4.679 1.00 54.54 H new ATOM 0 HE ARG A 76 -19.721 -22.065 -2.590 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -17.781 -23.198 -5.320 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -17.530 -24.801 -4.620 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -19.421 -24.135 -1.725 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -18.452 -25.327 -2.597 1.00 60.43 H new ATOM 1164 N GLY A 77 -21.958 -18.905 -1.923 1.00 43.11 N ATOM 1165 CA GLY A 77 -23.056 -19.515 -1.205 1.00 54.42 C ATOM 1166 C GLY A 77 -23.910 -20.367 -2.120 1.00 15.24 C ATOM 1167 O GLY A 77 -23.678 -20.417 -3.332 1.00 61.11 O ATOM 0 H GLY A 77 -22.179 -18.639 -2.883 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -22.665 -20.129 -0.394 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -23.671 -18.739 -0.750 1.00 54.42 H new ATOM 1171 N PHE A 78 -24.893 -21.037 -1.543 1.00 22.23 N ATOM 1172 CA PHE A 78 -25.804 -21.891 -2.306 1.00 73.44 C ATOM 1173 C PHE A 78 -27.170 -21.218 -2.441 1.00 12.01 C ATOM 1174 O PHE A 78 -27.360 -20.091 -1.978 1.00 2.23 O ATOM 1175 CB PHE A 78 -25.944 -23.267 -1.631 1.00 60.31 C ATOM 1176 CG PHE A 78 -26.569 -23.231 -0.252 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -25.782 -23.074 0.882 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -27.944 -23.363 -0.091 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -26.352 -23.046 2.141 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -28.517 -23.337 1.168 1.00 31.41 C ATOM 1181 CZ PHE A 78 -27.720 -23.179 2.285 1.00 42.13 C ATOM 0 H PHE A 78 -25.086 -21.009 -0.542 1.00 22.23 H new ATOM 0 HA PHE A 78 -25.390 -22.039 -3.303 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -26.545 -23.912 -2.272 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -24.957 -23.723 -1.557 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -24.712 -22.973 0.779 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -28.573 -23.487 -0.960 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -25.728 -22.920 3.013 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -29.586 -23.440 1.277 1.00 31.41 H new ATOM 0 HZ PHE A 78 -28.165 -23.159 3.269 1.00 42.13 H new ATOM 1191 N ASP A 79 -28.107 -21.908 -3.078 1.00 52.44 N ATOM 1192 CA ASP A 79 -29.475 -21.427 -3.215 1.00 4.14 C ATOM 1193 C ASP A 79 -30.427 -22.616 -3.240 1.00 34.43 C ATOM 1194 O ASP A 79 -30.473 -23.370 -4.216 1.00 22.44 O ATOM 1195 CB ASP A 79 -29.643 -20.578 -4.484 1.00 50.33 C ATOM 1196 CG ASP A 79 -31.048 -20.007 -4.615 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -31.406 -19.106 -3.823 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -31.797 -20.445 -5.513 1.00 74.11 O ATOM 0 H ASP A 79 -27.940 -22.815 -3.513 1.00 52.44 H new ATOM 0 HA ASP A 79 -29.709 -20.791 -2.361 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -28.921 -19.761 -4.470 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -29.418 -21.188 -5.359 1.00 50.33 H new ATOM 1203 N GLN A 80 -31.149 -22.801 -2.144 1.00 32.33 N ATOM 1204 CA GLN A 80 -32.050 -23.938 -1.982 1.00 51.35 C ATOM 1205 C GLN A 80 -33.336 -23.706 -2.778 1.00 60.12 C ATOM 1206 O GLN A 80 -34.096 -22.779 -2.423 1.00 14.05 O ATOM 1207 CB GLN A 80 -32.361 -24.153 -0.487 1.00 42.55 C ATOM 1208 CG GLN A 80 -32.870 -25.555 -0.131 1.00 4.25 C ATOM 1209 CD GLN A 80 -34.292 -25.855 -0.593 1.00 22.13 C ATOM 1210 OE1 GLN A 80 -34.623 -26.996 -0.916 1.00 60.13 O ATOM 1211 NE2 GLN A 80 -35.149 -24.847 -0.604 1.00 63.52 N ATOM 1212 OXT GLN A 80 -33.586 -24.454 -3.748 1.00 0.00 O ATOM 0 H GLN A 80 -31.128 -22.170 -1.343 1.00 32.33 H new ATOM 0 HA GLN A 80 -31.567 -24.837 -2.366 1.00 51.35 H new ATOM 0 HB2 GLN A 80 -31.458 -23.952 0.090 1.00 42.55 H new ATOM 0 HB3 GLN A 80 -33.107 -23.421 -0.177 1.00 42.55 H new ATOM 0 HG2 GLN A 80 -32.197 -26.293 -0.569 1.00 4.25 H new ATOM 0 HG3 GLN A 80 -32.820 -25.681 0.951 1.00 4.25 H new ATOM 0 HE21 GLN A 80 -34.842 -23.914 -0.330 1.00 63.52 H new ATOM 0 HE22 GLN A 80 -36.117 -25.003 -0.886 1.00 63.52 H new TER 1221 GLN A 80