USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 38 SER OG : rot -152:sc= 0.828 USER MOD Set 1.2: A 46 THR OG1 : rot -51:sc= 0.0668 USER MOD Set 1.3: A 69 GLN : amide:sc= 0.526 K(o=-2.8,f=-15!) USER MOD Set 1.4: A 71 MET CE :methyl -124:sc= -4.19! (180deg=-7.9!) USER MOD Set 2.1: A 61 SER OG : rot 82:sc= -1.05 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 160:sc= 0.504 (180deg=0.257) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= 0.324 (180deg=-1.64) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4.07! C(o=-4.1!,f=-1.9!) USER MOD Single : A 52 MET CE :methyl 163:sc= -2.53! (180deg=-4.58!) USER MOD Single : A 53 MET CE :methyl -164:sc= -2.68! (180deg=-3.25!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0257 K(o=-0.026,f=-0.98) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc=-0.00724 (180deg=-0.0948) USER MOD Single : A 65 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.47) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -10.5! C(o=-10!,f=-7.5!) USER MOD Single : A 76 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.025 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 53:sc= -3.76! USER MOD Single : A 87 GLN : amide:sc= -7.45! C(o=-7.4!,f=-12!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.14) USER MOD Single : A 96 GLN : amide:sc= -2.13 K(o=-2.1,f=-5.9!) USER MOD Single : A 97 SER OG : rot 12:sc= 1.54 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.386 -4.967 -10.459 1.00 0.00 N ATOM 17 CA PHE A 18 -0.181 -4.181 -10.226 1.00 0.00 C ATOM 18 C PHE A 18 -0.402 -2.723 -10.615 1.00 0.00 C ATOM 19 O PHE A 18 -1.134 -2.431 -11.562 1.00 0.00 O ATOM 20 CB PHE A 18 0.993 -4.763 -11.016 1.00 0.00 C ATOM 21 CG PHE A 18 2.128 -5.225 -10.149 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.703 -4.371 -9.223 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.616 -6.517 -10.260 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.747 -4.795 -8.424 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.661 -6.949 -9.463 1.00 0.00 C ATOM 26 CZ PHE A 18 4.226 -6.086 -8.544 1.00 0.00 C ATOM 0 HA PHE A 18 0.053 -4.222 -9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.638 -5.602 -11.614 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.361 -4.009 -11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.331 -3.362 -9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.176 -7.194 -10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.188 -4.119 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.034 -7.958 -9.559 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.042 -6.420 -7.920 1.00 0.00 H new ATOM 36 N LYS A 19 0.231 -1.811 -9.885 1.00 0.00 N ATOM 37 CA LYS A 19 0.092 -0.389 -10.171 1.00 0.00 C ATOM 38 C LYS A 19 1.313 0.404 -9.726 1.00 0.00 C ATOM 39 O LYS A 19 1.889 0.148 -8.669 1.00 0.00 O ATOM 40 CB LYS A 19 -1.142 0.180 -9.475 1.00 0.00 C ATOM 41 CG LYS A 19 -1.170 -0.107 -7.997 1.00 0.00 C ATOM 42 CD LYS A 19 -2.266 -1.103 -7.642 1.00 0.00 C ATOM 43 CE LYS A 19 -3.401 -0.439 -6.877 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.603 -0.239 -7.731 1.00 0.00 N ATOM 0 H LYS A 19 0.841 -2.029 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.010 -0.295 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.175 1.258 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.037 -0.236 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.203 -0.501 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.329 0.821 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.657 -1.555 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.845 -1.909 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.666 -1.052 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.065 0.524 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.354 0.216 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.357 0.367 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.939 -1.160 -8.078 1.00 0.00 H new ATOM 58 N ASP A 20 1.661 1.397 -10.529 1.00 0.00 N ATOM 59 CA ASP A 20 2.776 2.287 -10.229 1.00 0.00 C ATOM 60 C ASP A 20 2.248 3.454 -9.416 1.00 0.00 C ATOM 61 O ASP A 20 2.114 4.572 -9.915 1.00 0.00 O ATOM 62 CB ASP A 20 3.429 2.787 -11.521 1.00 0.00 C ATOM 63 CG ASP A 20 4.741 2.087 -11.814 1.00 0.00 C ATOM 64 OD1 ASP A 20 5.630 2.101 -10.938 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.879 1.524 -12.920 1.00 0.00 O ATOM 0 H ASP A 20 1.182 1.610 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 20 3.536 1.750 -9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.744 2.632 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.602 3.861 -11.446 1.00 0.00 H new ATOM 70 N VAL A 21 1.919 3.173 -8.161 1.00 0.00 N ATOM 71 CA VAL A 21 1.371 4.180 -7.273 1.00 0.00 C ATOM 72 C VAL A 21 2.313 5.361 -7.133 1.00 0.00 C ATOM 73 O VAL A 21 3.484 5.204 -6.787 1.00 0.00 O ATOM 74 CB VAL A 21 1.054 3.584 -5.886 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.621 4.664 -4.900 1.00 0.00 C ATOM 76 CG2 VAL A 21 -0.021 2.515 -6.010 1.00 0.00 C ATOM 0 H VAL A 21 2.024 2.251 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 21 0.441 4.534 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 21 1.965 3.129 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.406 4.209 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.421 5.395 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.274 5.161 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.237 2.101 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.927 2.957 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.330 1.721 -6.669 1.00 0.00 H new ATOM 86 N PHE A 22 1.787 6.546 -7.402 1.00 0.00 N ATOM 87 CA PHE A 22 2.567 7.761 -7.302 1.00 0.00 C ATOM 88 C PHE A 22 2.001 8.662 -6.215 1.00 0.00 C ATOM 89 O PHE A 22 0.976 9.314 -6.409 1.00 0.00 O ATOM 90 CB PHE A 22 2.571 8.502 -8.642 1.00 0.00 C ATOM 91 CG PHE A 22 3.865 9.199 -8.970 1.00 0.00 C ATOM 92 CD1 PHE A 22 4.938 9.187 -8.086 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.009 9.867 -10.176 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.118 9.825 -8.399 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.190 10.506 -10.493 1.00 0.00 C ATOM 96 CZ PHE A 22 6.244 10.484 -9.603 1.00 0.00 C ATOM 0 H PHE A 22 0.819 6.688 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 22 3.592 7.494 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.346 7.790 -9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.768 9.239 -8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.845 8.671 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.187 9.888 -10.876 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.943 9.809 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.289 11.023 -11.436 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.169 10.984 -9.850 1.00 0.00 H new ATOM 106 N ILE A 23 2.672 8.696 -5.074 1.00 0.00 N ATOM 107 CA ILE A 23 2.227 9.521 -3.964 1.00 0.00 C ATOM 108 C ILE A 23 3.033 10.809 -3.905 1.00 0.00 C ATOM 109 O ILE A 23 4.182 10.816 -3.469 1.00 0.00 O ATOM 110 CB ILE A 23 2.354 8.776 -2.624 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.793 7.357 -2.756 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.648 9.544 -1.516 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.282 7.298 -2.865 1.00 0.00 C ATOM 0 H ILE A 23 3.523 8.164 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 23 1.176 9.756 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 23 3.409 8.704 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.229 6.886 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.108 6.771 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.749 9.001 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.097 10.532 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.592 9.649 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.036 6.259 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.165 7.738 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.041 7.854 -3.745 1.00 0.00 H new ATOM 125 N GLU A 24 2.413 11.891 -4.354 1.00 0.00 N ATOM 126 CA GLU A 24 3.054 13.199 -4.371 1.00 0.00 C ATOM 127 C GLU A 24 2.594 14.038 -3.182 1.00 0.00 C ATOM 128 O GLU A 24 1.397 14.143 -2.914 1.00 0.00 O ATOM 129 CB GLU A 24 2.723 13.923 -5.680 1.00 0.00 C ATOM 130 CG GLU A 24 3.707 15.022 -6.044 1.00 0.00 C ATOM 131 CD GLU A 24 3.326 16.365 -5.455 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.490 16.546 -4.229 1.00 0.00 O ATOM 133 OE2 GLU A 24 2.860 17.238 -6.218 1.00 0.00 O ATOM 0 H GLU A 24 1.459 11.888 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 24 4.133 13.059 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.693 13.193 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.725 14.354 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.701 14.745 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.764 15.109 -7.129 1.00 0.00 H new ATOM 140 N LYS A 25 3.547 14.635 -2.475 1.00 0.00 N ATOM 141 CA LYS A 25 3.226 15.467 -1.318 1.00 0.00 C ATOM 142 C LYS A 25 4.310 16.512 -1.080 1.00 0.00 C ATOM 143 O LYS A 25 5.226 16.663 -1.887 1.00 0.00 O ATOM 144 CB LYS A 25 3.039 14.609 -0.055 1.00 0.00 C ATOM 145 CG LYS A 25 3.705 13.243 -0.116 1.00 0.00 C ATOM 146 CD LYS A 25 5.210 13.355 -0.279 1.00 0.00 C ATOM 147 CE LYS A 25 5.861 11.986 -0.385 1.00 0.00 C ATOM 148 NZ LYS A 25 6.269 11.461 0.947 1.00 0.00 N ATOM 0 H LYS A 25 4.543 14.560 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 25 2.288 15.979 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.435 15.154 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.972 14.471 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.479 12.688 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.291 12.674 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.438 13.938 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.630 13.894 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.166 11.289 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.735 12.049 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.281 11.221 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.097 12.185 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.715 10.610 1.169 1.00 0.00 H new ATOM 162 N GLN A 26 4.199 17.230 0.032 1.00 0.00 N ATOM 163 CA GLN A 26 5.173 18.258 0.375 1.00 0.00 C ATOM 164 C GLN A 26 6.241 17.691 1.304 1.00 0.00 C ATOM 165 O GLN A 26 5.956 16.836 2.142 1.00 0.00 O ATOM 166 CB GLN A 26 4.480 19.448 1.043 1.00 0.00 C ATOM 167 CG GLN A 26 3.182 19.856 0.365 1.00 0.00 C ATOM 168 CD GLN A 26 3.372 20.200 -1.100 1.00 0.00 C ATOM 169 OE1 GLN A 26 3.994 21.206 -1.438 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.836 19.360 -1.979 1.00 0.00 N ATOM 0 H GLN A 26 3.445 17.119 0.710 1.00 0.00 H new ATOM 0 HA GLN A 26 5.650 18.598 -0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.274 19.200 2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.161 20.299 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.460 19.044 0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.760 20.716 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.328 18.537 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.933 19.538 -2.979 1.00 0.00 H new ATOM 179 N LYS A 27 7.472 18.170 1.149 1.00 0.00 N ATOM 180 CA LYS A 27 8.582 17.708 1.977 1.00 0.00 C ATOM 181 C LYS A 27 8.202 17.740 3.454 1.00 0.00 C ATOM 182 O LYS A 27 7.799 18.776 3.984 1.00 0.00 O ATOM 183 CB LYS A 27 9.825 18.559 1.723 1.00 0.00 C ATOM 184 CG LYS A 27 10.940 17.807 1.018 1.00 0.00 C ATOM 185 CD LYS A 27 10.719 17.763 -0.483 1.00 0.00 C ATOM 186 CE LYS A 27 11.780 16.927 -1.179 1.00 0.00 C ATOM 187 NZ LYS A 27 11.903 17.274 -2.622 1.00 0.00 N ATOM 0 H LYS A 27 7.726 18.877 0.459 1.00 0.00 H new ATOM 0 HA LYS A 27 8.808 16.677 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.546 19.425 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.198 18.937 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.895 18.286 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.998 16.791 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.733 17.350 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.733 18.777 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.741 17.077 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.532 15.870 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.637 16.682 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.993 17.107 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.165 18.276 -2.717 1.00 0.00 H new ATOM 201 N GLY A 28 8.307 16.587 4.099 1.00 0.00 N ATOM 202 CA GLY A 28 7.947 16.475 5.495 1.00 0.00 C ATOM 203 C GLY A 28 6.590 15.820 5.650 1.00 0.00 C ATOM 204 O GLY A 28 5.963 15.910 6.706 1.00 0.00 O ATOM 0 H GLY A 28 8.638 15.721 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.700 15.891 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.932 17.464 5.952 1.00 0.00 H new ATOM 208 N GLU A 29 6.136 15.167 4.581 1.00 0.00 N ATOM 209 CA GLU A 29 4.838 14.496 4.585 1.00 0.00 C ATOM 210 C GLU A 29 4.980 13.007 4.287 1.00 0.00 C ATOM 211 O GLU A 29 5.462 12.621 3.222 1.00 0.00 O ATOM 212 CB GLU A 29 3.908 15.143 3.559 1.00 0.00 C ATOM 213 CG GLU A 29 3.564 16.590 3.875 1.00 0.00 C ATOM 214 CD GLU A 29 3.017 16.766 5.278 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.032 16.081 5.621 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.575 17.591 6.033 1.00 0.00 O ATOM 0 H GLU A 29 6.648 15.089 3.702 1.00 0.00 H new ATOM 0 HA GLU A 29 4.410 14.604 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.377 15.096 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.986 14.564 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.456 17.206 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.830 16.951 3.155 1.00 0.00 H new ATOM 223 N ILE A 30 4.551 12.173 5.230 1.00 0.00 N ATOM 224 CA ILE A 30 4.622 10.733 5.064 1.00 0.00 C ATOM 225 C ILE A 30 3.503 10.236 4.154 1.00 0.00 C ATOM 226 O ILE A 30 2.432 10.837 4.090 1.00 0.00 O ATOM 227 CB ILE A 30 4.543 10.010 6.420 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.170 10.221 7.053 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.645 10.498 7.348 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.466 8.932 7.422 1.00 0.00 C ATOM 0 H ILE A 30 4.150 12.475 6.118 1.00 0.00 H new ATOM 0 HA ILE A 30 5.584 10.506 4.604 1.00 0.00 H new ATOM 0 HB ILE A 30 4.685 8.942 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.282 10.833 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.543 10.782 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.574 9.976 8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.616 10.298 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.535 11.570 7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.497 9.161 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.321 8.327 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.072 8.379 8.139 1.00 0.00 H new ATOM 242 N LEU A 31 3.758 9.137 3.453 1.00 0.00 N ATOM 243 CA LEU A 31 2.774 8.558 2.541 1.00 0.00 C ATOM 244 C LEU A 31 1.401 8.455 3.199 1.00 0.00 C ATOM 245 O LEU A 31 0.403 8.922 2.652 1.00 0.00 O ATOM 246 CB LEU A 31 3.241 7.176 2.086 1.00 0.00 C ATOM 247 CG LEU A 31 2.989 6.857 0.611 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.167 6.095 0.021 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.702 6.063 0.452 1.00 0.00 C ATOM 0 H LEU A 31 4.640 8.627 3.498 1.00 0.00 H new ATOM 0 HA LEU A 31 2.683 9.215 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.309 7.088 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.741 6.422 2.695 1.00 0.00 H new ATOM 0 HG LEU A 31 2.883 7.796 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.970 5.877 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.070 6.701 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.306 5.161 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.537 5.844 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.780 5.129 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.865 6.646 0.837 1.00 0.00 H new ATOM 261 N GLY A 32 1.357 7.845 4.379 1.00 0.00 N ATOM 262 CA GLY A 32 0.100 7.703 5.089 1.00 0.00 C ATOM 263 C GLY A 32 -0.438 6.283 5.072 1.00 0.00 C ATOM 264 O GLY A 32 -1.485 6.008 5.658 1.00 0.00 O ATOM 0 H GLY A 32 2.167 7.448 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.236 8.021 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.639 8.370 4.645 1.00 0.00 H new ATOM 268 N VAL A 33 0.272 5.375 4.405 1.00 0.00 N ATOM 269 CA VAL A 33 -0.162 3.985 4.333 1.00 0.00 C ATOM 270 C VAL A 33 0.497 3.143 5.415 1.00 0.00 C ATOM 271 O VAL A 33 1.722 3.063 5.500 1.00 0.00 O ATOM 272 CB VAL A 33 0.139 3.345 2.964 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.756 3.934 1.886 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.611 3.499 2.603 1.00 0.00 C ATOM 0 H VAL A 33 1.142 5.576 3.912 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.242 4.003 4.482 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.076 2.279 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.526 3.468 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.800 3.749 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.584 5.008 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.798 3.039 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.866 4.558 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.224 3.010 3.360 1.00 0.00 H new ATOM 284 N VAL A 34 -0.331 2.507 6.230 1.00 0.00 N ATOM 285 CA VAL A 34 0.154 1.654 7.303 1.00 0.00 C ATOM 286 C VAL A 34 0.149 0.197 6.856 1.00 0.00 C ATOM 287 O VAL A 34 -0.890 -0.464 6.867 1.00 0.00 O ATOM 288 CB VAL A 34 -0.703 1.814 8.572 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.137 0.984 9.712 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.791 3.283 8.965 1.00 0.00 C ATOM 0 H VAL A 34 -1.347 2.567 6.167 1.00 0.00 H new ATOM 0 HA VAL A 34 1.174 1.957 7.539 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.709 1.451 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.758 1.112 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.126 -0.068 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.879 1.311 9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.400 3.383 9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.210 3.668 9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.246 3.850 8.153 1.00 0.00 H new ATOM 300 N ILE A 35 1.313 -0.291 6.442 1.00 0.00 N ATOM 301 CA ILE A 35 1.428 -1.664 5.970 1.00 0.00 C ATOM 302 C ILE A 35 1.895 -2.610 7.070 1.00 0.00 C ATOM 303 O ILE A 35 2.636 -2.222 7.972 1.00 0.00 O ATOM 304 CB ILE A 35 2.382 -1.792 4.765 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.646 -0.952 4.960 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.671 -1.385 3.484 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.480 -1.359 6.156 1.00 0.00 C ATOM 0 H ILE A 35 2.184 0.240 6.424 1.00 0.00 H new ATOM 0 HA ILE A 35 0.424 -1.948 5.656 1.00 0.00 H new ATOM 0 HB ILE A 35 2.684 -2.836 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.259 -1.024 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.361 0.094 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.356 -1.480 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.808 -2.032 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.338 -0.350 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.357 -0.715 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.886 -1.260 7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.798 -2.395 6.042 1.00 0.00 H new ATOM 319 N VAL A 36 1.455 -3.861 6.972 1.00 0.00 N ATOM 320 CA VAL A 36 1.820 -4.889 7.937 1.00 0.00 C ATOM 321 C VAL A 36 2.234 -6.169 7.218 1.00 0.00 C ATOM 322 O VAL A 36 1.863 -6.390 6.067 1.00 0.00 O ATOM 323 CB VAL A 36 0.656 -5.201 8.897 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.549 -4.130 9.970 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.653 -5.333 8.130 1.00 0.00 C ATOM 0 H VAL A 36 0.840 -4.188 6.227 1.00 0.00 H new ATOM 0 HA VAL A 36 2.658 -4.506 8.520 1.00 0.00 H new ATOM 0 HB VAL A 36 0.859 -6.154 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.278 -4.367 10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.477 -4.092 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.371 -3.162 9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.462 -5.553 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.866 -4.399 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.569 -6.141 7.404 1.00 0.00 H new ATOM 335 N GLU A 37 3.005 -7.010 7.897 1.00 0.00 N ATOM 336 CA GLU A 37 3.468 -8.263 7.304 1.00 0.00 C ATOM 337 C GLU A 37 2.297 -9.100 6.791 1.00 0.00 C ATOM 338 O GLU A 37 1.494 -9.610 7.574 1.00 0.00 O ATOM 339 CB GLU A 37 4.275 -9.064 8.330 1.00 0.00 C ATOM 340 CG GLU A 37 5.620 -9.541 7.806 1.00 0.00 C ATOM 341 CD GLU A 37 6.678 -9.602 8.889 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.715 -8.685 9.738 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.471 -10.568 8.892 1.00 0.00 O ATOM 0 H GLU A 37 3.322 -6.850 8.853 1.00 0.00 H new ATOM 0 HA GLU A 37 4.106 -8.018 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.437 -8.448 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.690 -9.928 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.503 -10.529 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.955 -8.872 7.013 1.00 0.00 H new ATOM 350 N SER A 38 2.210 -9.242 5.470 1.00 0.00 N ATOM 351 CA SER A 38 1.142 -10.023 4.851 1.00 0.00 C ATOM 352 C SER A 38 1.245 -11.491 5.256 1.00 0.00 C ATOM 353 O SER A 38 2.340 -12.049 5.328 1.00 0.00 O ATOM 354 CB SER A 38 1.197 -9.889 3.325 1.00 0.00 C ATOM 355 OG SER A 38 2.308 -9.110 2.920 1.00 0.00 O ATOM 0 H SER A 38 2.866 -8.827 4.808 1.00 0.00 H new ATOM 0 HA SER A 38 0.186 -9.634 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.259 -10.879 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.277 -9.430 2.964 1.00 0.00 H new ATOM 0 HG SER A 38 2.108 -8.675 2.065 1.00 0.00 H new ATOM 448 N PRO A 45 4.007 -12.627 0.292 1.00 0.00 N ATOM 449 CA PRO A 45 3.888 -11.802 1.498 1.00 0.00 C ATOM 450 C PRO A 45 4.950 -10.707 1.567 1.00 0.00 C ATOM 451 O PRO A 45 6.147 -10.988 1.594 1.00 0.00 O ATOM 452 CB PRO A 45 4.079 -12.807 2.631 1.00 0.00 C ATOM 453 CG PRO A 45 3.601 -14.100 2.070 1.00 0.00 C ATOM 454 CD PRO A 45 3.935 -14.070 0.603 1.00 0.00 C ATOM 0 HA PRO A 45 2.937 -11.271 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.124 -12.869 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.507 -12.522 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.087 -14.942 2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.528 -14.218 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.880 -14.572 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.171 -14.571 0.008 1.00 0.00 H new ATOM 462 N THR A 46 4.497 -9.458 1.601 1.00 0.00 N ATOM 463 CA THR A 46 5.401 -8.315 1.672 1.00 0.00 C ATOM 464 C THR A 46 4.902 -7.293 2.688 1.00 0.00 C ATOM 465 O THR A 46 5.495 -7.119 3.752 1.00 0.00 O ATOM 466 CB THR A 46 5.535 -7.655 0.299 1.00 0.00 C ATOM 467 OG1 THR A 46 4.263 -7.319 -0.223 1.00 0.00 O ATOM 468 CG2 THR A 46 6.234 -8.527 -0.719 1.00 0.00 C ATOM 0 H THR A 46 3.508 -9.211 1.580 1.00 0.00 H new ATOM 0 HA THR A 46 6.378 -8.677 1.991 1.00 0.00 H new ATOM 0 HB THR A 46 6.140 -6.764 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.673 -8.100 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.295 -7.998 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.239 -8.761 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.672 -9.451 -0.853 1.00 0.00 H new ATOM 476 N VAL A 47 3.811 -6.615 2.348 1.00 0.00 N ATOM 477 CA VAL A 47 3.233 -5.605 3.230 1.00 0.00 C ATOM 478 C VAL A 47 1.775 -5.331 2.869 1.00 0.00 C ATOM 479 O VAL A 47 1.423 -5.234 1.696 1.00 0.00 O ATOM 480 CB VAL A 47 4.032 -4.282 3.184 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.784 -4.079 4.490 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.993 -4.260 2.003 1.00 0.00 C ATOM 0 H VAL A 47 3.309 -6.745 1.470 1.00 0.00 H new ATOM 0 HA VAL A 47 3.282 -6.005 4.243 1.00 0.00 H new ATOM 0 HB VAL A 47 3.326 -3.462 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.343 -3.144 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.074 -4.039 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.475 -4.908 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.541 -3.318 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.697 -5.088 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.431 -4.359 1.074 1.00 0.00 H new ATOM 492 N ILE A 48 0.934 -5.212 3.893 1.00 0.00 N ATOM 493 CA ILE A 48 -0.491 -4.956 3.692 1.00 0.00 C ATOM 494 C ILE A 48 -0.899 -3.609 4.267 1.00 0.00 C ATOM 495 O ILE A 48 -0.802 -3.399 5.474 1.00 0.00 O ATOM 496 CB ILE A 48 -1.391 -6.022 4.369 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.623 -7.299 4.721 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.579 -6.345 3.483 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.823 -7.720 6.161 1.00 0.00 C ATOM 0 H ILE A 48 1.214 -5.289 4.871 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.634 -4.983 2.612 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.745 -5.595 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.945 -8.106 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.440 -7.142 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.203 -7.095 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.164 -5.441 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.226 -6.732 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.256 -8.630 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.475 -6.927 6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.882 -7.906 6.342 1.00 0.00 H new ATOM 511 N ILE A 49 -1.394 -2.716 3.414 1.00 0.00 N ATOM 512 CA ILE A 49 -1.855 -1.412 3.872 1.00 0.00 C ATOM 513 C ILE A 49 -3.058 -1.596 4.790 1.00 0.00 C ATOM 514 O ILE A 49 -4.192 -1.285 4.423 1.00 0.00 O ATOM 515 CB ILE A 49 -2.243 -0.494 2.694 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.037 -0.268 1.782 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.792 0.837 3.198 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.413 0.194 0.391 1.00 0.00 C ATOM 0 H ILE A 49 -1.485 -2.871 2.410 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.035 -0.936 4.410 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.029 -0.985 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.380 0.473 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.468 -1.195 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.058 1.466 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.677 0.658 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.033 1.340 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.510 0.335 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.045 -0.557 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.956 1.137 0.455 1.00 0.00 H new ATOM 530 N ALA A 50 -2.796 -2.127 5.977 1.00 0.00 N ATOM 531 CA ALA A 50 -3.842 -2.387 6.953 1.00 0.00 C ATOM 532 C ALA A 50 -4.720 -1.158 7.166 1.00 0.00 C ATOM 533 O ALA A 50 -5.923 -1.274 7.401 1.00 0.00 O ATOM 534 CB ALA A 50 -3.220 -2.838 8.264 1.00 0.00 C ATOM 0 H ALA A 50 -1.860 -2.387 6.287 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.482 -3.182 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.007 -3.032 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.645 -3.750 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.560 -2.057 8.642 1.00 0.00 H new ATOM 540 N ASN A 51 -4.110 0.020 7.077 1.00 0.00 N ATOM 541 CA ASN A 51 -4.836 1.269 7.255 1.00 0.00 C ATOM 542 C ASN A 51 -4.073 2.426 6.618 1.00 0.00 C ATOM 543 O ASN A 51 -2.848 2.494 6.685 1.00 0.00 O ATOM 544 CB ASN A 51 -5.091 1.522 8.751 1.00 0.00 C ATOM 545 CG ASN A 51 -4.730 2.929 9.196 1.00 0.00 C ATOM 546 OD1 ASN A 51 -5.531 3.857 9.079 1.00 0.00 O ATOM 547 ND2 ASN A 51 -3.518 3.090 9.713 1.00 0.00 N ATOM 0 H ASN A 51 -3.115 0.134 6.883 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.801 1.194 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.143 1.339 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.515 0.805 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.218 4.011 10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.887 2.293 9.791 1.00 0.00 H new ATOM 554 N MET A 52 -4.819 3.325 5.992 1.00 0.00 N ATOM 555 CA MET A 52 -4.241 4.482 5.324 1.00 0.00 C ATOM 556 C MET A 52 -4.835 5.776 5.875 1.00 0.00 C ATOM 557 O MET A 52 -5.881 5.762 6.526 1.00 0.00 O ATOM 558 CB MET A 52 -4.488 4.368 3.820 1.00 0.00 C ATOM 559 CG MET A 52 -4.391 5.680 3.054 1.00 0.00 C ATOM 560 SD MET A 52 -4.861 5.504 1.320 1.00 0.00 S ATOM 561 CE MET A 52 -6.061 4.179 1.431 1.00 0.00 C ATOM 0 H MET A 52 -5.836 3.274 5.933 1.00 0.00 H new ATOM 0 HA MET A 52 -3.167 4.507 5.510 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.768 3.665 3.400 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.479 3.943 3.660 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.034 6.422 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.370 6.057 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.659 4.152 0.520 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.543 3.228 1.553 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.713 4.349 2.288 1.00 0.00 H new ATOM 571 N MET A 53 -4.163 6.892 5.614 1.00 0.00 N ATOM 572 CA MET A 53 -4.627 8.192 6.086 1.00 0.00 C ATOM 573 C MET A 53 -5.784 8.701 5.230 1.00 0.00 C ATOM 574 O MET A 53 -5.755 8.599 4.005 1.00 0.00 O ATOM 575 CB MET A 53 -3.481 9.205 6.069 1.00 0.00 C ATOM 576 CG MET A 53 -3.532 10.200 7.217 1.00 0.00 C ATOM 577 SD MET A 53 -1.896 10.602 7.861 1.00 0.00 S ATOM 578 CE MET A 53 -1.305 8.976 8.323 1.00 0.00 C ATOM 0 H MET A 53 -3.295 6.923 5.078 1.00 0.00 H new ATOM 0 HA MET A 53 -4.981 8.072 7.110 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.533 8.669 6.106 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.503 9.750 5.125 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.020 11.114 6.879 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.144 9.791 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.445 9.076 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.098 8.433 8.837 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.011 8.428 7.428 1.00 0.00 H new ATOM 588 N HIS A 54 -6.802 9.249 5.886 1.00 0.00 N ATOM 589 CA HIS A 54 -7.968 9.776 5.186 1.00 0.00 C ATOM 590 C HIS A 54 -7.689 11.172 4.640 1.00 0.00 C ATOM 591 O HIS A 54 -7.875 12.170 5.335 1.00 0.00 O ATOM 592 CB HIS A 54 -9.177 9.814 6.123 1.00 0.00 C ATOM 593 CG HIS A 54 -9.438 8.514 6.818 1.00 0.00 C ATOM 594 ND1 HIS A 54 -8.686 8.066 7.884 1.00 0.00 N ATOM 595 CD2 HIS A 54 -10.375 7.563 6.593 1.00 0.00 C ATOM 596 CE1 HIS A 54 -9.149 6.895 8.284 1.00 0.00 C ATOM 597 NE2 HIS A 54 -10.173 6.568 7.518 1.00 0.00 N ATOM 0 H HIS A 54 -6.843 9.340 6.901 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.188 9.115 4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.022 10.592 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.061 10.094 5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.138 7.583 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.756 6.305 9.099 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.725 5.714 7.600 1.00 0.00 H new ATOM 606 N GLY A 55 -7.240 11.234 3.391 1.00 0.00 N ATOM 607 CA GLY A 55 -6.941 12.514 2.773 1.00 0.00 C ATOM 608 C GLY A 55 -5.450 12.768 2.643 1.00 0.00 C ATOM 609 O GLY A 55 -5.036 13.775 2.070 1.00 0.00 O ATOM 0 H GLY A 55 -7.078 10.422 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.399 12.551 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.391 13.312 3.364 1.00 0.00 H new ATOM 613 N GLY A 56 -4.639 11.857 3.179 1.00 0.00 N ATOM 614 CA GLY A 56 -3.199 12.014 3.107 1.00 0.00 C ATOM 615 C GLY A 56 -2.640 11.644 1.746 1.00 0.00 C ATOM 616 O GLY A 56 -3.391 11.274 0.844 1.00 0.00 O ATOM 0 H GLY A 56 -4.955 11.015 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.938 13.048 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.731 11.392 3.870 1.00 0.00 H new ATOM 620 N PRO A 57 -1.311 11.738 1.564 1.00 0.00 N ATOM 621 CA PRO A 57 -0.655 11.412 0.292 1.00 0.00 C ATOM 622 C PRO A 57 -1.124 10.082 -0.295 1.00 0.00 C ATOM 623 O PRO A 57 -1.430 9.996 -1.485 1.00 0.00 O ATOM 624 CB PRO A 57 0.821 11.344 0.677 1.00 0.00 C ATOM 625 CG PRO A 57 0.946 12.296 1.813 1.00 0.00 C ATOM 626 CD PRO A 57 -0.339 12.177 2.586 1.00 0.00 C ATOM 0 HA PRO A 57 -0.880 12.144 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.110 10.335 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.463 11.631 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.804 12.049 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.095 13.315 1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.255 11.454 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.628 13.128 3.034 1.00 0.00 H new ATOM 634 N ALA A 58 -1.174 9.047 0.536 1.00 0.00 N ATOM 635 CA ALA A 58 -1.600 7.730 0.085 1.00 0.00 C ATOM 636 C ALA A 58 -3.010 7.773 -0.493 1.00 0.00 C ATOM 637 O ALA A 58 -3.258 7.270 -1.587 1.00 0.00 O ATOM 638 CB ALA A 58 -1.535 6.728 1.225 1.00 0.00 C ATOM 0 H ALA A 58 -0.925 9.096 1.524 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.917 7.414 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.857 5.750 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.511 6.661 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.190 7.053 2.033 1.00 0.00 H new ATOM 644 N GLU A 59 -3.930 8.379 0.249 1.00 0.00 N ATOM 645 CA GLU A 59 -5.312 8.489 -0.193 1.00 0.00 C ATOM 646 C GLU A 59 -5.447 9.533 -1.293 1.00 0.00 C ATOM 647 O GLU A 59 -6.370 9.481 -2.107 1.00 0.00 O ATOM 648 CB GLU A 59 -6.217 8.842 0.987 1.00 0.00 C ATOM 649 CG GLU A 59 -7.678 8.984 0.606 1.00 0.00 C ATOM 650 CD GLU A 59 -8.594 8.138 1.470 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.177 7.758 2.584 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.730 7.856 1.032 1.00 0.00 O ATOM 0 H GLU A 59 -3.742 8.801 1.159 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.620 7.525 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.122 8.071 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.873 9.776 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.971 10.031 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.806 8.700 -0.438 1.00 0.00 H new ATOM 659 N LYS A 60 -4.518 10.476 -1.312 1.00 0.00 N ATOM 660 CA LYS A 60 -4.518 11.534 -2.308 1.00 0.00 C ATOM 661 C LYS A 60 -4.302 10.958 -3.704 1.00 0.00 C ATOM 662 O LYS A 60 -5.019 11.296 -4.645 1.00 0.00 O ATOM 663 CB LYS A 60 -3.436 12.567 -1.990 1.00 0.00 C ATOM 664 CG LYS A 60 -3.955 13.762 -1.207 1.00 0.00 C ATOM 665 CD LYS A 60 -2.858 14.404 -0.377 1.00 0.00 C ATOM 666 CE LYS A 60 -2.241 15.596 -1.093 1.00 0.00 C ATOM 667 NZ LYS A 60 -3.156 16.770 -1.106 1.00 0.00 N ATOM 0 H LYS A 60 -3.749 10.529 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.490 12.027 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.641 12.086 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.993 12.917 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.369 14.498 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.768 13.445 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.266 14.725 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.084 13.667 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.306 15.870 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.994 15.316 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.619 17.626 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.905 16.618 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.584 16.887 -0.166 1.00 0.00 H new ATOM 681 N SER A 61 -3.310 10.078 -3.824 1.00 0.00 N ATOM 682 CA SER A 61 -2.996 9.443 -5.096 1.00 0.00 C ATOM 683 C SER A 61 -4.237 8.794 -5.698 1.00 0.00 C ATOM 684 O SER A 61 -4.475 8.882 -6.901 1.00 0.00 O ATOM 685 CB SER A 61 -1.900 8.394 -4.905 1.00 0.00 C ATOM 686 OG SER A 61 -1.233 8.127 -6.125 1.00 0.00 O ATOM 0 H SER A 61 -2.710 9.790 -3.051 1.00 0.00 H new ATOM 0 HA SER A 61 -2.640 10.211 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.182 8.744 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.336 7.474 -4.516 1.00 0.00 H new ATOM 0 HG SER A 61 -0.548 8.810 -6.279 1.00 0.00 H new ATOM 692 N GLY A 62 -5.024 8.140 -4.851 1.00 0.00 N ATOM 693 CA GLY A 62 -6.228 7.482 -5.318 1.00 0.00 C ATOM 694 C GLY A 62 -5.957 6.081 -5.833 1.00 0.00 C ATOM 695 O GLY A 62 -6.860 5.412 -6.333 1.00 0.00 O ATOM 0 H GLY A 62 -4.849 8.054 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.952 7.434 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.680 8.077 -6.112 1.00 0.00 H new ATOM 699 N LYS A 63 -4.709 5.636 -5.709 1.00 0.00 N ATOM 700 CA LYS A 63 -4.322 4.309 -6.165 1.00 0.00 C ATOM 701 C LYS A 63 -4.255 3.333 -4.996 1.00 0.00 C ATOM 702 O LYS A 63 -4.915 2.292 -5.003 1.00 0.00 O ATOM 703 CB LYS A 63 -2.968 4.359 -6.868 1.00 0.00 C ATOM 704 CG LYS A 63 -2.979 5.172 -8.151 1.00 0.00 C ATOM 705 CD LYS A 63 -2.711 6.642 -7.886 1.00 0.00 C ATOM 706 CE LYS A 63 -3.352 7.513 -8.952 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.735 8.867 -9.009 1.00 0.00 N ATOM 0 H LYS A 63 -3.950 6.178 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.078 3.963 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.229 4.781 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.648 3.342 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.225 4.782 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.945 5.061 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.101 6.915 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.636 6.821 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.254 7.029 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.419 7.609 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.941 9.304 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.127 9.459 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.705 8.785 -8.888 1.00 0.00 H new ATOM 721 N LEU A 64 -3.448 3.673 -3.995 1.00 0.00 N ATOM 722 CA LEU A 64 -3.289 2.825 -2.821 1.00 0.00 C ATOM 723 C LEU A 64 -4.548 2.829 -1.964 1.00 0.00 C ATOM 724 O LEU A 64 -5.020 3.882 -1.537 1.00 0.00 O ATOM 725 CB LEU A 64 -2.096 3.284 -1.979 1.00 0.00 C ATOM 726 CG LEU A 64 -0.735 2.733 -2.411 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.356 3.203 -1.461 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.762 1.211 -2.480 1.00 0.00 C ATOM 0 H LEU A 64 -2.895 4.530 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.109 1.809 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.053 4.373 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.273 2.996 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.515 3.115 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.317 2.802 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.398 4.292 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.136 2.852 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.216 0.843 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.008 0.807 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.514 0.893 -3.202 1.00 0.00 H new ATOM 740 N ASN A 65 -5.077 1.640 -1.710 1.00 0.00 N ATOM 741 CA ASN A 65 -6.275 1.492 -0.894 1.00 0.00 C ATOM 742 C ASN A 65 -6.059 0.424 0.169 1.00 0.00 C ATOM 743 O ASN A 65 -5.507 -0.638 -0.118 1.00 0.00 O ATOM 744 CB ASN A 65 -7.474 1.127 -1.769 1.00 0.00 C ATOM 745 CG ASN A 65 -7.599 2.025 -2.984 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.020 3.178 -2.879 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.233 1.502 -4.148 1.00 0.00 N ATOM 0 H ASN A 65 -4.694 0.761 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.479 2.443 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.380 0.091 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.386 1.194 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.295 2.060 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.890 0.542 -4.191 1.00 0.00 H new ATOM 754 N ILE A 66 -6.490 0.713 1.399 1.00 0.00 N ATOM 755 CA ILE A 66 -6.342 -0.225 2.512 1.00 0.00 C ATOM 756 C ILE A 66 -6.489 -1.673 2.047 1.00 0.00 C ATOM 757 O ILE A 66 -7.483 -2.038 1.420 1.00 0.00 O ATOM 758 CB ILE A 66 -7.364 0.077 3.621 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.936 1.333 4.377 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.493 -1.103 4.576 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.847 1.682 5.524 1.00 0.00 C ATOM 0 H ILE A 66 -6.945 1.591 1.649 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.337 -0.096 2.913 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.340 0.245 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.924 1.192 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.902 2.172 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.221 -0.866 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.824 -1.983 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.526 -1.306 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.483 2.584 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.855 1.855 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.863 0.860 6.239 1.00 0.00 H new ATOM 773 N GLY A 67 -5.480 -2.485 2.342 1.00 0.00 N ATOM 774 CA GLY A 67 -5.500 -3.877 1.930 1.00 0.00 C ATOM 775 C GLY A 67 -4.579 -4.134 0.750 1.00 0.00 C ATOM 776 O GLY A 67 -4.341 -5.282 0.375 1.00 0.00 O ATOM 0 H GLY A 67 -4.647 -2.204 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.201 -4.507 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.518 -4.162 1.664 1.00 0.00 H new ATOM 780 N ASP A 68 -4.058 -3.055 0.168 1.00 0.00 N ATOM 781 CA ASP A 68 -3.155 -3.150 -0.972 1.00 0.00 C ATOM 782 C ASP A 68 -1.838 -3.797 -0.563 1.00 0.00 C ATOM 783 O ASP A 68 -1.136 -3.293 0.314 1.00 0.00 O ATOM 784 CB ASP A 68 -2.908 -1.759 -1.550 1.00 0.00 C ATOM 785 CG ASP A 68 -3.775 -1.476 -2.762 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.295 -2.440 -3.359 1.00 0.00 O ATOM 787 OD2 ASP A 68 -3.933 -0.287 -3.114 1.00 0.00 O ATOM 0 H ASP A 68 -4.249 -2.100 0.472 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.617 -3.776 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.104 -1.010 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.858 -1.665 -1.827 1.00 0.00 H new ATOM 792 N GLN A 69 -1.502 -4.916 -1.202 1.00 0.00 N ATOM 793 CA GLN A 69 -0.264 -5.614 -0.888 1.00 0.00 C ATOM 794 C GLN A 69 0.909 -4.956 -1.606 1.00 0.00 C ATOM 795 O GLN A 69 1.328 -5.399 -2.674 1.00 0.00 O ATOM 796 CB GLN A 69 -0.359 -7.094 -1.268 1.00 0.00 C ATOM 797 CG GLN A 69 0.108 -8.032 -0.164 1.00 0.00 C ATOM 798 CD GLN A 69 1.402 -8.741 -0.510 1.00 0.00 C ATOM 799 OE1 GLN A 69 2.329 -8.794 0.298 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.472 -9.293 -1.716 1.00 0.00 N ATOM 0 H GLN A 69 -2.065 -5.352 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.099 -5.550 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.392 -7.331 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.239 -7.271 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.244 -7.464 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.667 -8.773 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.680 -9.225 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.318 -9.785 -2.003 1.00 0.00 H new ATOM 809 N ILE A 70 1.425 -3.889 -1.014 1.00 0.00 N ATOM 810 CA ILE A 70 2.542 -3.160 -1.597 1.00 0.00 C ATOM 811 C ILE A 70 3.729 -4.089 -1.851 1.00 0.00 C ATOM 812 O ILE A 70 4.027 -4.962 -1.037 1.00 0.00 O ATOM 813 CB ILE A 70 2.982 -1.994 -0.687 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.748 -1.234 -0.175 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.931 -1.063 -1.436 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.048 0.165 0.323 1.00 0.00 C ATOM 0 H ILE A 70 1.088 -3.508 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 70 2.202 -2.752 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 70 3.518 -2.395 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.013 -1.173 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.291 -1.806 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.232 -0.246 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.814 -1.620 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.426 -0.657 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.126 0.634 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.758 0.113 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.476 0.756 -0.487 1.00 0.00 H new ATOM 828 N MET A 71 4.391 -3.907 -2.991 1.00 0.00 N ATOM 829 CA MET A 71 5.530 -4.747 -3.353 1.00 0.00 C ATOM 830 C MET A 71 6.853 -4.002 -3.200 1.00 0.00 C ATOM 831 O MET A 71 7.846 -4.578 -2.758 1.00 0.00 O ATOM 832 CB MET A 71 5.382 -5.249 -4.791 1.00 0.00 C ATOM 833 CG MET A 71 4.121 -6.067 -5.022 1.00 0.00 C ATOM 834 SD MET A 71 4.444 -7.839 -5.086 1.00 0.00 S ATOM 835 CE MET A 71 3.336 -8.432 -3.810 1.00 0.00 C ATOM 0 H MET A 71 4.160 -3.189 -3.677 1.00 0.00 H new ATOM 0 HA MET A 71 5.541 -5.596 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.380 -4.394 -5.467 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.251 -5.856 -5.047 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.408 -5.860 -4.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.655 -5.753 -5.956 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.902 -8.999 -3.071 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.853 -7.584 -3.324 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.577 -9.074 -4.257 1.00 0.00 H new ATOM 845 N SER A 72 6.871 -2.725 -3.572 1.00 0.00 N ATOM 846 CA SER A 72 8.087 -1.923 -3.473 1.00 0.00 C ATOM 847 C SER A 72 7.752 -0.437 -3.388 1.00 0.00 C ATOM 848 O SER A 72 6.633 -0.030 -3.688 1.00 0.00 O ATOM 849 CB SER A 72 8.993 -2.184 -4.679 1.00 0.00 C ATOM 850 OG SER A 72 8.340 -1.845 -5.890 1.00 0.00 O ATOM 0 H SER A 72 6.063 -2.226 -3.943 1.00 0.00 H new ATOM 0 HA SER A 72 8.611 -2.212 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.910 -1.603 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.282 -3.235 -4.700 1.00 0.00 H new ATOM 0 HG SER A 72 8.940 -2.019 -6.645 1.00 0.00 H new ATOM 856 N ILE A 73 8.729 0.369 -2.975 1.00 0.00 N ATOM 857 CA ILE A 73 8.528 1.810 -2.850 1.00 0.00 C ATOM 858 C ILE A 73 9.619 2.593 -3.582 1.00 0.00 C ATOM 859 O ILE A 73 10.791 2.547 -3.209 1.00 0.00 O ATOM 860 CB ILE A 73 8.488 2.236 -1.371 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.349 1.514 -0.656 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.321 3.745 -1.249 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.686 1.116 0.758 1.00 0.00 C ATOM 0 H ILE A 73 9.664 0.049 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 73 7.568 2.041 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 73 9.433 1.962 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.471 2.159 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.082 0.622 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.295 4.024 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.158 4.244 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.390 4.048 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.832 0.608 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.545 0.445 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.925 2.006 1.340 1.00 0.00 H new ATOM 875 N ASN A 74 9.214 3.308 -4.631 1.00 0.00 N ATOM 876 CA ASN A 74 10.136 4.111 -5.442 1.00 0.00 C ATOM 877 C ASN A 74 11.440 3.366 -5.718 1.00 0.00 C ATOM 878 O ASN A 74 12.501 3.978 -5.837 1.00 0.00 O ATOM 879 CB ASN A 74 10.436 5.446 -4.764 1.00 0.00 C ATOM 880 CG ASN A 74 10.905 5.276 -3.339 1.00 0.00 C ATOM 881 OD1 ASN A 74 12.017 4.817 -3.086 1.00 0.00 O ATOM 882 ND2 ASN A 74 10.052 5.647 -2.397 1.00 0.00 N ATOM 0 H ASN A 74 8.244 3.349 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 74 9.643 4.299 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.199 5.976 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.540 6.066 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.307 5.557 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.139 6.023 -2.655 1.00 0.00 H new ATOM 889 N GLY A 75 11.355 2.044 -5.821 1.00 0.00 N ATOM 890 CA GLY A 75 12.537 1.245 -6.085 1.00 0.00 C ATOM 891 C GLY A 75 13.020 0.487 -4.862 1.00 0.00 C ATOM 892 O GLY A 75 14.123 -0.061 -4.862 1.00 0.00 O ATOM 0 H GLY A 75 10.490 1.512 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.320 0.536 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.336 1.894 -6.444 1.00 0.00 H new ATOM 896 N THR A 76 12.197 0.452 -3.818 1.00 0.00 N ATOM 897 CA THR A 76 12.548 -0.248 -2.590 1.00 0.00 C ATOM 898 C THR A 76 11.695 -1.499 -2.425 1.00 0.00 C ATOM 899 O THR A 76 10.573 -1.437 -1.925 1.00 0.00 O ATOM 900 CB THR A 76 12.366 0.671 -1.386 1.00 0.00 C ATOM 901 OG1 THR A 76 12.839 1.976 -1.674 1.00 0.00 O ATOM 902 CG2 THR A 76 13.082 0.184 -0.146 1.00 0.00 C ATOM 0 H THR A 76 11.282 0.901 -3.800 1.00 0.00 H new ATOM 0 HA THR A 76 13.595 -0.546 -2.652 1.00 0.00 H new ATOM 0 HB THR A 76 11.294 0.675 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.096 2.531 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.911 0.884 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.701 -0.799 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.151 0.115 -0.347 1.00 0.00 H new ATOM 910 N SER A 77 12.236 -2.633 -2.854 1.00 0.00 N ATOM 911 CA SER A 77 11.525 -3.903 -2.763 1.00 0.00 C ATOM 912 C SER A 77 11.115 -4.207 -1.325 1.00 0.00 C ATOM 913 O SER A 77 11.933 -4.141 -0.407 1.00 0.00 O ATOM 914 CB SER A 77 12.396 -5.038 -3.306 1.00 0.00 C ATOM 915 OG SER A 77 11.601 -6.073 -3.856 1.00 0.00 O ATOM 0 H SER A 77 13.166 -2.699 -3.269 1.00 0.00 H new ATOM 0 HA SER A 77 10.620 -3.823 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.071 -4.650 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.017 -5.439 -2.505 1.00 0.00 H new ATOM 0 HG SER A 77 12.181 -6.785 -4.197 1.00 0.00 H new ATOM 921 N LEU A 78 9.844 -4.546 -1.143 1.00 0.00 N ATOM 922 CA LEU A 78 9.315 -4.874 0.176 1.00 0.00 C ATOM 923 C LEU A 78 9.057 -6.371 0.295 1.00 0.00 C ATOM 924 O LEU A 78 8.254 -6.811 1.119 1.00 0.00 O ATOM 925 CB LEU A 78 8.020 -4.104 0.435 1.00 0.00 C ATOM 926 CG LEU A 78 8.202 -2.635 0.809 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.943 -1.843 0.486 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.558 -2.505 2.282 1.00 0.00 C ATOM 0 H LEU A 78 9.158 -4.601 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 78 10.057 -4.586 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.397 -4.161 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.474 -4.602 1.236 1.00 0.00 H new ATOM 0 HG LEU A 78 9.022 -2.225 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.090 -0.798 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.733 -1.913 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.103 -2.250 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.685 -1.452 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.758 -2.930 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.487 -3.040 2.480 1.00 0.00 H new ATOM 940 N VAL A 79 9.736 -7.147 -0.542 1.00 0.00 N ATOM 941 CA VAL A 79 9.578 -8.595 -0.542 1.00 0.00 C ATOM 942 C VAL A 79 10.689 -9.274 0.251 1.00 0.00 C ATOM 943 O VAL A 79 11.850 -9.267 -0.159 1.00 0.00 O ATOM 944 CB VAL A 79 9.589 -9.158 -1.976 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.052 -10.581 -1.993 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.794 -8.266 -2.923 1.00 0.00 C ATOM 0 H VAL A 79 10.402 -6.796 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 79 8.616 -8.804 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 79 10.621 -9.176 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.067 -10.963 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.675 -11.213 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.029 -10.588 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.819 -8.688 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.761 -8.203 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.233 -7.268 -2.937 1.00 0.00 H new ATOM 956 N GLY A 80 10.327 -9.874 1.380 1.00 0.00 N ATOM 957 CA GLY A 80 11.311 -10.562 2.195 1.00 0.00 C ATOM 958 C GLY A 80 11.728 -9.777 3.422 1.00 0.00 C ATOM 959 O GLY A 80 12.177 -10.359 4.410 1.00 0.00 O ATOM 0 H GLY A 80 9.374 -9.896 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.905 -11.524 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.193 -10.771 1.589 1.00 0.00 H new ATOM 963 N LEU A 81 11.589 -8.454 3.372 1.00 0.00 N ATOM 964 CA LEU A 81 11.969 -7.619 4.507 1.00 0.00 C ATOM 965 C LEU A 81 10.829 -7.524 5.523 1.00 0.00 C ATOM 966 O LEU A 81 9.684 -7.256 5.157 1.00 0.00 O ATOM 967 CB LEU A 81 12.385 -6.218 4.049 1.00 0.00 C ATOM 968 CG LEU A 81 11.577 -5.627 2.890 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.484 -4.116 3.031 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.210 -6.003 1.561 1.00 0.00 C ATOM 0 H LEU A 81 11.221 -7.943 2.569 1.00 0.00 H new ATOM 0 HA LEU A 81 12.825 -8.091 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.311 -5.541 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.435 -6.249 3.756 1.00 0.00 H new ATOM 0 HG LEU A 81 10.568 -6.039 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.907 -3.708 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.992 -3.868 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.486 -3.687 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.625 -5.576 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.228 -5.615 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.232 -7.088 1.462 1.00 0.00 H new ATOM 982 N PRO A 82 11.128 -7.752 6.817 1.00 0.00 N ATOM 983 CA PRO A 82 10.121 -7.697 7.883 1.00 0.00 C ATOM 984 C PRO A 82 9.320 -6.401 7.867 1.00 0.00 C ATOM 985 O PRO A 82 9.476 -5.571 6.972 1.00 0.00 O ATOM 986 CB PRO A 82 10.951 -7.793 9.164 1.00 0.00 C ATOM 987 CG PRO A 82 12.193 -8.509 8.758 1.00 0.00 C ATOM 988 CD PRO A 82 12.468 -8.086 7.341 1.00 0.00 C ATOM 0 HA PRO A 82 9.379 -8.489 7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.177 -6.805 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.416 -8.338 9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.025 -8.249 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.061 -9.589 8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.140 -7.229 7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.936 -8.885 6.767 1.00 0.00 H new ATOM 996 N LEU A 83 8.460 -6.237 8.868 1.00 0.00 N ATOM 997 CA LEU A 83 7.627 -5.046 8.976 1.00 0.00 C ATOM 998 C LEU A 83 8.455 -3.835 9.399 1.00 0.00 C ATOM 999 O LEU A 83 8.220 -2.719 8.936 1.00 0.00 O ATOM 1000 CB LEU A 83 6.495 -5.283 9.981 1.00 0.00 C ATOM 1001 CG LEU A 83 5.719 -4.030 10.394 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.015 -3.417 9.192 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.719 -4.361 11.491 1.00 0.00 C ATOM 0 H LEU A 83 8.322 -6.916 9.617 1.00 0.00 H new ATOM 0 HA LEU A 83 7.198 -4.842 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.795 -6.000 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.915 -5.742 10.876 1.00 0.00 H new ATOM 0 HG LEU A 83 6.427 -3.299 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.469 -2.527 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.753 -3.143 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.318 -4.141 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.176 -3.459 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.015 -5.110 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.248 -4.752 12.360 1.00 0.00 H new ATOM 1015 N SER A 84 9.423 -4.062 10.282 1.00 0.00 N ATOM 1016 CA SER A 84 10.283 -2.987 10.767 1.00 0.00 C ATOM 1017 C SER A 84 10.925 -2.238 9.604 1.00 0.00 C ATOM 1018 O SER A 84 10.996 -1.010 9.604 1.00 0.00 O ATOM 1019 CB SER A 84 11.367 -3.549 11.687 1.00 0.00 C ATOM 1020 OG SER A 84 10.836 -4.530 12.561 1.00 0.00 O ATOM 0 H SER A 84 9.632 -4.979 10.676 1.00 0.00 H new ATOM 0 HA SER A 84 9.666 -2.287 11.330 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.166 -3.985 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.810 -2.741 12.269 1.00 0.00 H new ATOM 0 HG SER A 84 11.549 -4.875 13.138 1.00 0.00 H new ATOM 1026 N THR A 85 11.386 -2.991 8.611 1.00 0.00 N ATOM 1027 CA THR A 85 12.020 -2.401 7.439 1.00 0.00 C ATOM 1028 C THR A 85 11.017 -1.580 6.636 1.00 0.00 C ATOM 1029 O THR A 85 11.294 -0.444 6.261 1.00 0.00 O ATOM 1030 CB THR A 85 12.623 -3.490 6.556 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.353 -4.421 7.335 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.551 -2.950 5.490 1.00 0.00 C ATOM 0 H THR A 85 11.332 -4.009 8.595 1.00 0.00 H new ATOM 0 HA THR A 85 12.816 -1.740 7.782 1.00 0.00 H new ATOM 0 HB THR A 85 11.775 -3.968 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.730 -5.112 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.945 -3.776 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.002 -2.268 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.376 -2.416 5.962 1.00 0.00 H new ATOM 1040 N CYS A 86 9.851 -2.164 6.378 1.00 0.00 N ATOM 1041 CA CYS A 86 8.805 -1.487 5.616 1.00 0.00 C ATOM 1042 C CYS A 86 8.425 -0.165 6.273 1.00 0.00 C ATOM 1043 O CYS A 86 8.447 0.883 5.629 1.00 0.00 O ATOM 1044 CB CYS A 86 7.579 -2.391 5.488 1.00 0.00 C ATOM 1045 SG CYS A 86 7.961 -4.083 4.971 1.00 0.00 S ATOM 0 H CYS A 86 9.606 -3.105 6.685 1.00 0.00 H new ATOM 0 HA CYS A 86 9.189 -1.272 4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.063 -2.423 6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.889 -1.950 4.769 1.00 0.00 H new ATOM 0 HG CYS A 86 8.866 -4.583 5.758 1.00 0.00 H new ATOM 1051 N GLN A 87 8.087 -0.212 7.558 1.00 0.00 N ATOM 1052 CA GLN A 87 7.719 0.983 8.294 1.00 0.00 C ATOM 1053 C GLN A 87 8.752 2.083 8.093 1.00 0.00 C ATOM 1054 O GLN A 87 8.425 3.203 7.700 1.00 0.00 O ATOM 1055 CB GLN A 87 7.605 0.645 9.776 1.00 0.00 C ATOM 1056 CG GLN A 87 6.216 0.847 10.327 1.00 0.00 C ATOM 1057 CD GLN A 87 5.348 -0.387 10.203 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.455 -1.321 10.997 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.476 -0.395 9.201 1.00 0.00 N ATOM 0 H GLN A 87 8.062 -1.070 8.109 1.00 0.00 H new ATOM 0 HA GLN A 87 6.760 1.344 7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.902 -0.392 9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.305 1.263 10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.285 1.133 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.739 1.675 9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.421 0.401 8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.861 -1.198 9.066 1.00 0.00 H new ATOM 1068 N SER A 88 10.002 1.744 8.369 1.00 0.00 N ATOM 1069 CA SER A 88 11.108 2.684 8.229 1.00 0.00 C ATOM 1070 C SER A 88 11.133 3.305 6.835 1.00 0.00 C ATOM 1071 O SER A 88 11.426 4.491 6.682 1.00 0.00 O ATOM 1072 CB SER A 88 12.438 1.984 8.511 1.00 0.00 C ATOM 1073 OG SER A 88 13.531 2.771 8.070 1.00 0.00 O ATOM 0 H SER A 88 10.279 0.818 8.694 1.00 0.00 H new ATOM 0 HA SER A 88 10.961 3.483 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.532 1.791 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.457 1.016 8.010 1.00 0.00 H new ATOM 0 HG SER A 88 14.370 2.303 8.263 1.00 0.00 H new ATOM 1079 N ILE A 89 10.815 2.505 5.820 1.00 0.00 N ATOM 1080 CA ILE A 89 10.793 2.987 4.454 1.00 0.00 C ATOM 1081 C ILE A 89 9.729 4.060 4.302 1.00 0.00 C ATOM 1082 O ILE A 89 9.977 5.119 3.734 1.00 0.00 O ATOM 1083 CB ILE A 89 10.525 1.833 3.465 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.705 0.858 3.480 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.282 2.364 2.059 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.620 -0.231 2.431 1.00 0.00 C ATOM 0 H ILE A 89 10.570 1.520 5.925 1.00 0.00 H new ATOM 0 HA ILE A 89 11.770 3.412 4.224 1.00 0.00 H new ATOM 0 HB ILE A 89 9.624 1.305 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.628 1.419 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.768 0.395 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.096 1.530 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.417 3.027 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.159 2.916 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.493 -0.879 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.716 -0.819 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.590 0.221 1.439 1.00 0.00 H new ATOM 1098 N ILE A 90 8.546 3.783 4.834 1.00 0.00 N ATOM 1099 CA ILE A 90 7.447 4.730 4.771 1.00 0.00 C ATOM 1100 C ILE A 90 7.760 5.967 5.600 1.00 0.00 C ATOM 1101 O ILE A 90 7.423 7.088 5.219 1.00 0.00 O ATOM 1102 CB ILE A 90 6.138 4.108 5.274 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.954 2.729 4.634 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.969 5.032 4.966 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.532 2.209 4.673 1.00 0.00 C ATOM 0 H ILE A 90 8.325 2.910 5.313 1.00 0.00 H new ATOM 0 HA ILE A 90 7.322 5.009 3.725 1.00 0.00 H new ATOM 0 HB ILE A 90 6.178 3.980 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.283 2.776 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.603 2.016 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.044 4.582 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.123 5.991 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.901 5.186 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.490 1.228 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.203 2.126 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.878 2.898 4.139 1.00 0.00 H new ATOM 1117 N LYS A 91 8.416 5.753 6.735 1.00 0.00 N ATOM 1118 CA LYS A 91 8.786 6.848 7.619 1.00 0.00 C ATOM 1119 C LYS A 91 9.898 7.680 6.991 1.00 0.00 C ATOM 1120 O LYS A 91 9.955 8.898 7.165 1.00 0.00 O ATOM 1121 CB LYS A 91 9.235 6.307 8.980 1.00 0.00 C ATOM 1122 CG LYS A 91 8.283 6.651 10.115 1.00 0.00 C ATOM 1123 CD LYS A 91 7.708 5.401 10.762 1.00 0.00 C ATOM 1124 CE LYS A 91 6.698 4.719 9.854 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.309 5.178 10.124 1.00 0.00 N ATOM 0 H LYS A 91 8.702 4.831 7.063 1.00 0.00 H new ATOM 0 HA LYS A 91 7.913 7.484 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.335 5.223 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.223 6.705 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.809 7.241 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.471 7.271 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.515 4.707 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.231 5.665 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.951 4.921 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.757 3.639 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.651 4.689 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.058 4.962 11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.246 6.204 9.967 1.00 0.00 H new ATOM 1139 N GLY A 92 10.777 7.010 6.251 1.00 0.00 N ATOM 1140 CA GLY A 92 11.873 7.696 5.595 1.00 0.00 C ATOM 1141 C GLY A 92 11.415 8.510 4.400 1.00 0.00 C ATOM 1142 O GLY A 92 12.156 9.355 3.897 1.00 0.00 O ATOM 0 H GLY A 92 10.748 6.002 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.367 8.353 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.613 6.965 5.271 1.00 0.00 H new ATOM 1146 N LEU A 93 10.189 8.258 3.945 1.00 0.00 N ATOM 1147 CA LEU A 93 9.633 8.976 2.805 1.00 0.00 C ATOM 1148 C LEU A 93 8.878 10.217 3.265 1.00 0.00 C ATOM 1149 O LEU A 93 7.779 10.501 2.787 1.00 0.00 O ATOM 1150 CB LEU A 93 8.694 8.067 2.011 1.00 0.00 C ATOM 1151 CG LEU A 93 9.352 6.834 1.393 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.301 5.932 0.766 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.389 7.245 0.361 1.00 0.00 C ATOM 0 H LEU A 93 9.563 7.561 4.350 1.00 0.00 H new ATOM 0 HA LEU A 93 10.459 9.285 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.889 7.739 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.235 8.652 1.214 1.00 0.00 H new ATOM 0 HG LEU A 93 9.857 6.278 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.785 5.058 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.594 5.611 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.770 6.479 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.847 6.354 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.908 7.822 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.157 7.854 0.839 1.00 0.00 H new ATOM 1165 N LYS A 94 9.468 10.946 4.200 1.00 0.00 N ATOM 1166 CA LYS A 94 8.856 12.143 4.731 1.00 0.00 C ATOM 1167 C LYS A 94 9.124 13.342 3.836 1.00 0.00 C ATOM 1168 O LYS A 94 8.213 14.105 3.518 1.00 0.00 O ATOM 1169 CB LYS A 94 9.382 12.419 6.137 1.00 0.00 C ATOM 1170 CG LYS A 94 8.478 11.883 7.230 1.00 0.00 C ATOM 1171 CD LYS A 94 8.866 12.436 8.586 1.00 0.00 C ATOM 1172 CE LYS A 94 7.643 12.678 9.451 1.00 0.00 C ATOM 1173 NZ LYS A 94 8.006 12.928 10.873 1.00 0.00 N ATOM 0 H LYS A 94 10.377 10.723 4.606 1.00 0.00 H new ATOM 0 HA LYS A 94 7.779 11.982 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.371 11.973 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.502 13.494 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.443 12.146 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.533 10.795 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.537 11.739 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.414 13.369 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.088 13.532 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.981 11.814 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.142 13.088 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.513 12.103 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.617 13.768 10.933 1.00 0.00 H new ATOM 1187 N ASN A 95 10.381 13.517 3.444 1.00 0.00 N ATOM 1188 CA ASN A 95 10.759 14.643 2.605 1.00 0.00 C ATOM 1189 C ASN A 95 11.190 14.207 1.205 1.00 0.00 C ATOM 1190 O ASN A 95 12.297 14.514 0.762 1.00 0.00 O ATOM 1191 CB ASN A 95 11.884 15.440 3.274 1.00 0.00 C ATOM 1192 CG ASN A 95 12.964 14.546 3.851 1.00 0.00 C ATOM 1193 OD1 ASN A 95 13.995 14.310 3.221 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.732 14.042 5.059 1.00 0.00 N ATOM 0 H ASN A 95 11.151 12.896 3.693 1.00 0.00 H new ATOM 0 HA ASN A 95 9.877 15.273 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.329 16.117 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.465 16.057 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.422 13.434 5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.864 14.264 5.546 1.00 0.00 H new ATOM 1201 N GLN A 96 10.302 13.511 0.504 1.00 0.00 N ATOM 1202 CA GLN A 96 10.587 13.060 -0.856 1.00 0.00 C ATOM 1203 C GLN A 96 9.696 13.793 -1.847 1.00 0.00 C ATOM 1204 O GLN A 96 10.099 14.076 -2.975 1.00 0.00 O ATOM 1205 CB GLN A 96 10.367 11.553 -1.002 1.00 0.00 C ATOM 1206 CG GLN A 96 10.768 10.749 0.218 1.00 0.00 C ATOM 1207 CD GLN A 96 12.258 10.465 0.267 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.685 9.312 0.222 1.00 0.00 O ATOM 1209 NE2 GLN A 96 13.059 11.519 0.358 1.00 0.00 N ATOM 0 H GLN A 96 9.381 13.247 0.853 1.00 0.00 H new ATOM 0 HA GLN A 96 11.634 13.280 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.314 11.369 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.933 11.195 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.476 11.291 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.222 9.806 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.664 12.459 0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.070 11.390 0.393 1.00 0.00 H new ATOM 1218 N SER A 97 8.477 14.093 -1.409 1.00 0.00 N ATOM 1219 CA SER A 97 7.505 14.789 -2.241 1.00 0.00 C ATOM 1220 C SER A 97 6.942 13.876 -3.328 1.00 0.00 C ATOM 1221 O SER A 97 6.178 14.325 -4.179 1.00 0.00 O ATOM 1222 CB SER A 97 8.133 16.032 -2.879 1.00 0.00 C ATOM 1223 OG SER A 97 7.141 16.877 -3.437 1.00 0.00 O ATOM 0 H SER A 97 8.138 13.862 -0.475 1.00 0.00 H new ATOM 0 HA SER A 97 6.683 15.096 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.702 16.581 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.836 15.730 -3.655 1.00 0.00 H new ATOM 0 HG SER A 97 6.256 16.591 -3.128 1.00 0.00 H new ATOM 1229 N ARG A 98 7.316 12.595 -3.304 1.00 0.00 N ATOM 1230 CA ARG A 98 6.827 11.653 -4.306 1.00 0.00 C ATOM 1231 C ARG A 98 7.129 10.210 -3.907 1.00 0.00 C ATOM 1232 O ARG A 98 8.142 9.934 -3.266 1.00 0.00 O ATOM 1233 CB ARG A 98 7.455 11.956 -5.667 1.00 0.00 C ATOM 1234 CG ARG A 98 6.532 12.699 -6.622 1.00 0.00 C ATOM 1235 CD ARG A 98 7.278 13.775 -7.395 1.00 0.00 C ATOM 1236 NE ARG A 98 7.596 14.931 -6.561 1.00 0.00 N ATOM 1237 CZ ARG A 98 8.582 15.788 -6.821 1.00 0.00 C ATOM 1238 NH1 ARG A 98 9.347 15.626 -7.895 1.00 0.00 N ATOM 1239 NH2 ARG A 98 8.802 16.811 -6.009 1.00 0.00 N ATOM 0 H ARG A 98 7.947 12.193 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 98 5.745 11.769 -4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.358 12.548 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.763 11.019 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.084 11.992 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.715 13.153 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.199 13.357 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.674 14.096 -8.243 1.00 0.00 H new ATOM 0 HE ARG A 98 7.029 15.092 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.181 14.842 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.100 16.286 -8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.216 16.943 -5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.557 17.467 -6.208 1.00 0.00 H new ATOM 1253 N VAL A 99 6.247 9.291 -4.299 1.00 0.00 N ATOM 1254 CA VAL A 99 6.430 7.878 -3.985 1.00 0.00 C ATOM 1255 C VAL A 99 5.977 6.980 -5.134 1.00 0.00 C ATOM 1256 O VAL A 99 4.784 6.742 -5.320 1.00 0.00 O ATOM 1257 CB VAL A 99 5.672 7.471 -2.705 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.233 6.171 -2.148 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.744 8.579 -1.662 1.00 0.00 C ATOM 0 H VAL A 99 5.403 9.500 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 99 7.499 7.742 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 99 4.624 7.313 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.688 5.897 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.125 5.381 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.288 6.303 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.203 8.272 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.786 8.772 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.294 9.487 -2.064 1.00 0.00 H new ATOM 1269 N LYS A 100 6.949 6.463 -5.883 1.00 0.00 N ATOM 1270 CA LYS A 100 6.673 5.563 -6.997 1.00 0.00 C ATOM 1271 C LYS A 100 6.720 4.131 -6.497 1.00 0.00 C ATOM 1272 O LYS A 100 7.670 3.394 -6.763 1.00 0.00 O ATOM 1273 CB LYS A 100 7.701 5.756 -8.114 1.00 0.00 C ATOM 1274 CG LYS A 100 8.028 7.212 -8.400 1.00 0.00 C ATOM 1275 CD LYS A 100 7.785 7.564 -9.860 1.00 0.00 C ATOM 1276 CE LYS A 100 6.362 7.235 -10.287 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.323 6.541 -11.603 1.00 0.00 N ATOM 0 H LYS A 100 7.940 6.655 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 100 5.685 5.785 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.619 5.233 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.325 5.292 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.419 7.854 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.070 7.408 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.976 8.626 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.489 7.019 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.893 6.606 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.779 8.154 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.336 6.335 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.748 7.151 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.858 5.651 -11.542 1.00 0.00 H new ATOM 1291 N LEU A 101 5.702 3.754 -5.741 1.00 0.00 N ATOM 1292 CA LEU A 101 5.639 2.423 -5.165 1.00 0.00 C ATOM 1293 C LEU A 101 4.732 1.496 -5.964 1.00 0.00 C ATOM 1294 O LEU A 101 3.568 1.806 -6.228 1.00 0.00 O ATOM 1295 CB LEU A 101 5.193 2.506 -3.703 1.00 0.00 C ATOM 1296 CG LEU A 101 3.752 2.935 -3.479 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.323 2.624 -2.052 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.574 4.421 -3.774 1.00 0.00 C ATOM 0 H LEU A 101 4.908 4.352 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 101 6.640 1.993 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.338 1.529 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.847 3.205 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 101 3.119 2.373 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.289 2.937 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.407 1.552 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.966 3.160 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.535 4.703 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.219 5.003 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.841 4.620 -4.812 1.00 0.00 H new ATOM 1310 N ASN A 102 5.287 0.349 -6.346 1.00 0.00 N ATOM 1311 CA ASN A 102 4.550 -0.646 -7.108 1.00 0.00 C ATOM 1312 C ASN A 102 3.859 -1.617 -6.162 1.00 0.00 C ATOM 1313 O ASN A 102 4.517 -2.357 -5.431 1.00 0.00 O ATOM 1314 CB ASN A 102 5.493 -1.402 -8.048 1.00 0.00 C ATOM 1315 CG ASN A 102 5.458 -0.858 -9.462 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.485 -0.455 -10.008 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.273 -0.842 -10.060 1.00 0.00 N ATOM 0 H ASN A 102 6.251 0.088 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 102 3.794 -0.140 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.511 -1.341 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.220 -2.457 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.187 -0.485 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.449 -1.187 -9.568 1.00 0.00 H new ATOM 1324 N ILE A 103 2.535 -1.597 -6.165 1.00 0.00 N ATOM 1325 CA ILE A 103 1.760 -2.467 -5.290 1.00 0.00 C ATOM 1326 C ILE A 103 0.906 -3.445 -6.090 1.00 0.00 C ATOM 1327 O ILE A 103 0.821 -3.352 -7.314 1.00 0.00 O ATOM 1328 CB ILE A 103 0.848 -1.636 -4.369 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.181 -0.873 -5.191 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.668 -0.667 -3.541 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.549 -0.869 -4.571 1.00 0.00 C ATOM 0 H ILE A 103 1.974 -0.989 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 103 2.470 -3.034 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 103 0.328 -2.319 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.156 0.156 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.241 -1.314 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.006 -0.089 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.378 -1.222 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.211 0.008 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.235 -0.309 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.905 -1.894 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.501 -0.401 -3.588 1.00 0.00 H new ATOM 1343 N VAL A 104 0.265 -4.375 -5.387 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.591 -5.364 -6.032 1.00 0.00 C ATOM 1345 C VAL A 104 -1.964 -5.416 -5.376 1.00 0.00 C ATOM 1346 O VAL A 104 -2.083 -5.369 -4.148 1.00 0.00 O ATOM 1347 CB VAL A 104 0.030 -6.772 -5.993 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.132 -6.903 -7.033 1.00 0.00 C ATOM 1349 CG2 VAL A 104 0.554 -7.084 -4.603 1.00 0.00 C ATOM 0 H VAL A 104 0.322 -4.464 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.693 -5.051 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.747 -7.498 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.557 -7.906 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.718 -6.729 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.912 -6.169 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.989 -8.083 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.315 -6.354 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.266 -7.039 -3.886 1.00 0.00 H new