USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 16 CYS SG : rot 110:sc= -3.74 USER MOD Set 1.2: A 47 THR OG1 : rot 88:sc= -0.444 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.109 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 5 THR OG1 : rot -66:sc=0.000516 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 103:sc= 0.541 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00168 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 53:sc= 1.13 USER MOD Single : A 46 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.4!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= 0.751 (180deg=0.0813) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0598 USER MOD Single : A 76 MET CE :methyl -113:sc= -7.86! (180deg=-12.5!) USER MOD Single : A 77 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 78 ASN : amide:sc= -8.27! C(o=-8.3!,f=-11!) USER MOD Single : A 80 SER OG : rot 107:sc= -5.08! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 29:sc= 1.11 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.927 17.605 1.945 1.00 0.00 N ATOM 2 CA MET A 1 62.728 16.133 2.061 1.00 0.00 C ATOM 3 C MET A 1 64.048 15.420 1.782 1.00 0.00 C ATOM 4 O MET A 1 65.065 16.052 1.500 1.00 0.00 O ATOM 5 CB MET A 1 61.676 15.679 1.046 1.00 0.00 C ATOM 6 CG MET A 1 60.871 14.516 1.632 1.00 0.00 C ATOM 7 SD MET A 1 59.176 14.571 0.998 1.00 0.00 S ATOM 8 CE MET A 1 58.390 15.183 2.510 1.00 0.00 C ATOM 0 H1 MET A 1 62.600 18.069 2.816 1.00 0.00 H new ATOM 0 H2 MET A 1 63.937 17.809 1.802 1.00 0.00 H new ATOM 0 H3 MET A 1 62.383 17.966 1.136 1.00 0.00 H new ATOM 0 HA MET A 1 62.389 15.889 3.068 1.00 0.00 H new ATOM 0 HB2 MET A 1 61.012 16.507 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.159 15.370 0.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 61.338 13.567 1.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 60.865 14.576 2.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 57.318 15.294 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 58.560 14.475 3.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 58.818 16.149 2.777 1.00 0.00 H new ATOM 20 N THR A 2 64.018 14.092 1.867 1.00 0.00 N ATOM 21 CA THR A 2 65.218 13.297 1.623 1.00 0.00 C ATOM 22 C THR A 2 64.864 12.027 0.847 1.00 0.00 C ATOM 23 O THR A 2 63.724 11.839 0.424 1.00 0.00 O ATOM 24 CB THR A 2 65.886 12.922 2.955 1.00 0.00 C ATOM 25 OG1 THR A 2 67.055 12.154 2.704 1.00 0.00 O ATOM 26 CG2 THR A 2 64.913 12.113 3.819 1.00 0.00 C ATOM 0 H THR A 2 63.186 13.549 2.100 1.00 0.00 H new ATOM 0 HA THR A 2 65.913 13.892 1.031 1.00 0.00 H new ATOM 0 HB THR A 2 66.159 13.834 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 2 67.480 11.918 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 2 65.394 11.851 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 2 64.023 12.709 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 2 64.629 11.202 3.292 1.00 0.00 H new ATOM 34 N LEU A 3 65.856 11.160 0.667 1.00 0.00 N ATOM 35 CA LEU A 3 65.647 9.910 -0.056 1.00 0.00 C ATOM 36 C LEU A 3 66.913 9.055 0.005 1.00 0.00 C ATOM 37 O LEU A 3 67.800 9.311 0.818 1.00 0.00 O ATOM 38 CB LEU A 3 65.267 10.191 -1.510 1.00 0.00 C ATOM 39 CG LEU A 3 66.373 10.796 -2.373 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.097 10.482 -3.845 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.397 12.312 -2.172 1.00 0.00 C ATOM 0 H LEU A 3 66.807 11.299 1.009 1.00 0.00 H new ATOM 0 HA LEU A 3 64.829 9.365 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.941 9.258 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.412 10.867 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 3 67.336 10.373 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.885 10.913 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.073 9.402 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.136 10.908 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.185 12.748 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.435 12.733 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.588 12.537 -1.123 1.00 0.00 H new ATOM 53 N LEU A 4 66.991 8.031 -0.843 1.00 0.00 N ATOM 54 CA LEU A 4 68.163 7.152 -0.837 1.00 0.00 C ATOM 55 C LEU A 4 68.823 7.109 -2.211 1.00 0.00 C ATOM 56 O LEU A 4 68.203 7.438 -3.223 1.00 0.00 O ATOM 57 CB LEU A 4 67.756 5.732 -0.431 1.00 0.00 C ATOM 58 CG LEU A 4 68.822 4.932 0.319 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.891 5.410 1.770 1.00 0.00 C ATOM 60 CD2 LEU A 4 68.455 3.447 0.289 1.00 0.00 C ATOM 0 H LEU A 4 66.275 7.791 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 4 68.876 7.552 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.865 5.793 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.478 5.181 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 4 69.791 5.079 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.651 4.840 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 4 69.149 6.469 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.923 5.262 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 4 69.213 2.874 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.487 3.302 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.404 3.106 -0.745 1.00 0.00 H new ATOM 72 N THR A 5 70.087 6.697 -2.236 1.00 0.00 N ATOM 73 CA THR A 5 70.819 6.611 -3.496 1.00 0.00 C ATOM 74 C THR A 5 71.627 5.322 -3.562 1.00 0.00 C ATOM 75 O THR A 5 71.785 4.614 -2.567 1.00 0.00 O ATOM 76 CB THR A 5 71.769 7.798 -3.646 1.00 0.00 C ATOM 77 OG1 THR A 5 72.378 8.083 -2.394 1.00 0.00 O ATOM 78 CG2 THR A 5 70.982 9.015 -4.123 1.00 0.00 C ATOM 0 H THR A 5 70.620 6.421 -1.411 1.00 0.00 H new ATOM 0 HA THR A 5 70.089 6.623 -4.305 1.00 0.00 H new ATOM 0 HB THR A 5 72.543 7.556 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.696 8.390 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.656 9.865 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.519 8.795 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.208 9.256 -3.394 1.00 0.00 H new ATOM 86 N LEU A 6 72.138 5.028 -4.753 1.00 0.00 N ATOM 87 CA LEU A 6 72.938 3.822 -4.961 1.00 0.00 C ATOM 88 C LEU A 6 74.171 3.837 -4.064 1.00 0.00 C ATOM 89 O LEU A 6 74.642 2.794 -3.611 1.00 0.00 O ATOM 90 CB LEU A 6 73.383 3.722 -6.420 1.00 0.00 C ATOM 91 CG LEU A 6 74.258 2.512 -6.751 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.493 1.226 -6.432 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.616 2.535 -8.238 1.00 0.00 C ATOM 0 H LEU A 6 72.015 5.604 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 6 72.319 2.960 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.496 3.693 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.930 4.628 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 6 75.170 2.549 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 6 74.117 0.364 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.236 1.209 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.581 1.188 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.240 1.673 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.703 2.497 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.161 3.451 -8.467 1.00 0.00 H new ATOM 105 N SER A 7 74.688 5.036 -3.813 1.00 0.00 N ATOM 106 CA SER A 7 75.868 5.184 -2.967 1.00 0.00 C ATOM 107 C SER A 7 75.521 4.886 -1.511 1.00 0.00 C ATOM 108 O SER A 7 76.280 4.229 -0.801 1.00 0.00 O ATOM 109 CB SER A 7 76.424 6.604 -3.066 1.00 0.00 C ATOM 110 OG SER A 7 77.288 6.694 -4.191 1.00 0.00 O ATOM 0 H SER A 7 74.313 5.911 -4.179 1.00 0.00 H new ATOM 0 HA SER A 7 76.621 4.476 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.608 7.320 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.966 6.859 -2.155 1.00 0.00 H new ATOM 0 HG SER A 7 77.645 7.604 -4.258 1.00 0.00 H new ATOM 116 N ASP A 8 74.363 5.379 -1.076 1.00 0.00 N ATOM 117 CA ASP A 8 73.922 5.164 0.298 1.00 0.00 C ATOM 118 C ASP A 8 73.777 3.676 0.593 1.00 0.00 C ATOM 119 O ASP A 8 74.068 3.215 1.694 1.00 0.00 O ATOM 120 CB ASP A 8 72.572 5.843 0.533 1.00 0.00 C ATOM 121 CG ASP A 8 72.683 7.345 0.280 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.778 7.875 0.400 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.666 7.945 -0.027 1.00 0.00 O ATOM 0 H ASP A 8 73.720 5.925 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 8 74.674 5.593 0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.820 5.411 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.240 5.663 1.555 1.00 0.00 H new ATOM 128 N LEU A 9 73.314 2.930 -0.400 1.00 0.00 N ATOM 129 CA LEU A 9 73.121 1.496 -0.236 1.00 0.00 C ATOM 130 C LEU A 9 74.468 0.791 -0.080 1.00 0.00 C ATOM 131 O LEU A 9 74.763 0.202 0.959 1.00 0.00 O ATOM 132 CB LEU A 9 72.392 0.926 -1.459 1.00 0.00 C ATOM 133 CG LEU A 9 71.666 -0.415 -1.267 1.00 0.00 C ATOM 134 CD1 LEU A 9 72.538 -1.405 -0.486 1.00 0.00 C ATOM 135 CD2 LEU A 9 70.360 -0.181 -0.506 1.00 0.00 C ATOM 0 H LEU A 9 73.066 3.290 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 9 72.524 1.328 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.662 1.663 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 9 73.118 0.808 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 9 71.457 -0.838 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 72.001 -2.346 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 9 73.464 -1.584 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 9 72.770 -0.990 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 9 69.844 -1.131 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.580 0.256 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 9 69.725 0.499 -1.074 1.00 0.00 H new ATOM 147 N LEU A 10 75.266 0.843 -1.141 1.00 0.00 N ATOM 148 CA LEU A 10 76.579 0.190 -1.152 1.00 0.00 C ATOM 149 C LEU A 10 77.422 0.547 0.078 1.00 0.00 C ATOM 150 O LEU A 10 78.027 -0.327 0.695 1.00 0.00 O ATOM 151 CB LEU A 10 77.341 0.570 -2.422 1.00 0.00 C ATOM 152 CG LEU A 10 76.723 0.038 -3.723 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.835 1.094 -4.826 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.458 -1.232 -4.160 1.00 0.00 C ATOM 0 H LEU A 10 75.031 1.329 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 10 76.402 -0.885 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.401 1.657 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.362 0.198 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 10 75.671 -0.189 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.394 0.708 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.306 1.997 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.885 1.330 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.018 -1.608 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 10 78.511 -1.004 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 10 77.370 -1.990 -3.381 1.00 0.00 H new ATOM 166 N THR A 11 77.462 1.830 0.429 1.00 0.00 N ATOM 167 CA THR A 11 78.229 2.281 1.578 1.00 0.00 C ATOM 168 C THR A 11 77.765 1.581 2.854 1.00 0.00 C ATOM 169 O THR A 11 78.560 0.972 3.569 1.00 0.00 O ATOM 170 CB THR A 11 78.058 3.790 1.729 1.00 0.00 C ATOM 171 OG1 THR A 11 78.380 4.426 0.502 1.00 0.00 O ATOM 172 CG2 THR A 11 78.982 4.294 2.817 1.00 0.00 C ATOM 0 H THR A 11 76.971 2.573 -0.068 1.00 0.00 H new ATOM 0 HA THR A 11 79.279 2.036 1.418 1.00 0.00 H new ATOM 0 HB THR A 11 77.025 4.016 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.555 4.686 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.861 5.372 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.736 3.804 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.015 4.070 2.550 1.00 0.00 H new ATOM 180 N LEU A 12 76.469 1.669 3.131 1.00 0.00 N ATOM 181 CA LEU A 12 75.911 1.030 4.325 1.00 0.00 C ATOM 182 C LEU A 12 76.157 -0.467 4.267 1.00 0.00 C ATOM 183 O LEU A 12 76.656 -1.074 5.214 1.00 0.00 O ATOM 184 CB LEU A 12 74.410 1.281 4.416 1.00 0.00 C ATOM 185 CG LEU A 12 74.020 2.751 4.452 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.575 2.919 3.979 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.157 3.269 5.883 1.00 0.00 C ATOM 0 H LEU A 12 75.790 2.168 2.556 1.00 0.00 H new ATOM 0 HA LEU A 12 76.399 1.456 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.923 0.809 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.026 0.794 5.312 1.00 0.00 H new ATOM 0 HG LEU A 12 74.676 3.318 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.303 3.974 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.481 2.548 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.910 2.355 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.879 4.322 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.500 2.699 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.189 3.155 6.214 1.00 0.00 H new ATOM 199 N LEU A 13 75.815 -1.046 3.123 1.00 0.00 N ATOM 200 CA LEU A 13 76.011 -2.482 2.907 1.00 0.00 C ATOM 201 C LEU A 13 77.483 -2.839 3.117 1.00 0.00 C ATOM 202 O LEU A 13 77.817 -3.885 3.670 1.00 0.00 O ATOM 203 CB LEU A 13 75.585 -2.873 1.486 1.00 0.00 C ATOM 204 CG LEU A 13 74.543 -3.988 1.413 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.238 -4.313 -0.052 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.084 -5.240 2.111 1.00 0.00 C ATOM 0 H LEU A 13 75.403 -0.551 2.332 1.00 0.00 H new ATOM 0 HA LEU A 13 75.397 -3.030 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.188 -1.990 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.469 -3.184 0.930 1.00 0.00 H new ATOM 0 HG LEU A 13 73.629 -3.660 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.495 -5.109 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 13 73.851 -3.423 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.151 -4.639 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.341 -6.035 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.999 -5.566 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.298 -5.011 3.155 1.00 0.00 H new ATOM 218 N ARG A 14 78.349 -1.936 2.672 1.00 0.00 N ATOM 219 CA ARG A 14 79.789 -2.123 2.812 1.00 0.00 C ATOM 220 C ARG A 14 80.156 -2.184 4.301 1.00 0.00 C ATOM 221 O ARG A 14 80.751 -3.155 4.769 1.00 0.00 O ATOM 222 CB ARG A 14 80.522 -0.963 2.087 1.00 0.00 C ATOM 223 CG ARG A 14 81.920 -0.687 2.674 1.00 0.00 C ATOM 224 CD ARG A 14 81.838 0.477 3.667 1.00 0.00 C ATOM 225 NE ARG A 14 83.017 1.339 3.558 1.00 0.00 N ATOM 226 CZ ARG A 14 84.172 1.056 4.178 1.00 0.00 C ATOM 227 NH1 ARG A 14 84.311 -0.030 4.900 1.00 0.00 N ATOM 228 NH2 ARG A 14 85.181 1.875 4.054 1.00 0.00 N ATOM 0 H ARG A 14 78.080 -1.067 2.211 1.00 0.00 H new ATOM 0 HA ARG A 14 80.099 -3.063 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.618 -1.204 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 14 79.918 -0.058 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.299 -1.579 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.621 -0.448 1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 14 80.937 1.060 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.758 0.089 4.683 1.00 0.00 H new ATOM 0 HE ARG A 14 82.958 2.184 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.531 -0.680 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 14 85.199 -0.225 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.086 2.720 3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 14 86.064 1.670 4.521 1.00 0.00 H new ATOM 242 N GLU A 15 79.801 -1.130 5.029 1.00 0.00 N ATOM 243 CA GLU A 15 80.100 -1.062 6.458 1.00 0.00 C ATOM 244 C GLU A 15 79.435 -2.217 7.204 1.00 0.00 C ATOM 245 O GLU A 15 80.045 -2.866 8.053 1.00 0.00 O ATOM 246 CB GLU A 15 79.600 0.268 7.037 1.00 0.00 C ATOM 247 CG GLU A 15 79.983 0.380 8.521 1.00 0.00 C ATOM 248 CD GLU A 15 80.957 1.538 8.723 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.494 2.654 8.889 1.00 0.00 O ATOM 250 OE2 GLU A 15 82.152 1.290 8.710 1.00 0.00 O ATOM 0 H GLU A 15 79.310 -0.317 4.658 1.00 0.00 H new ATOM 0 HA GLU A 15 81.180 -1.134 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 80.030 1.100 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.518 0.336 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.089 0.536 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.437 -0.551 8.859 1.00 0.00 H new ATOM 257 N CYS A 16 78.172 -2.452 6.877 1.00 0.00 N ATOM 258 CA CYS A 16 77.407 -3.515 7.512 1.00 0.00 C ATOM 259 C CYS A 16 77.983 -4.884 7.157 1.00 0.00 C ATOM 260 O CYS A 16 78.027 -5.789 7.988 1.00 0.00 O ATOM 261 CB CYS A 16 75.958 -3.436 7.042 1.00 0.00 C ATOM 262 SG CYS A 16 74.850 -3.921 8.385 1.00 0.00 S ATOM 0 H CYS A 16 77.656 -1.921 6.176 1.00 0.00 H new ATOM 0 HA CYS A 16 77.459 -3.388 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.727 -2.422 6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 16 75.809 -4.089 6.182 1.00 0.00 H new ATOM 0 HG CYS A 16 74.201 -2.878 8.810 1.00 0.00 H new ATOM 268 N ALA A 17 78.423 -5.020 5.912 1.00 0.00 N ATOM 269 CA ALA A 17 78.996 -6.282 5.451 1.00 0.00 C ATOM 270 C ALA A 17 80.405 -6.460 6.006 1.00 0.00 C ATOM 271 O ALA A 17 80.813 -7.565 6.364 1.00 0.00 O ATOM 272 CB ALA A 17 79.055 -6.319 3.923 1.00 0.00 C ATOM 0 H ALA A 17 78.396 -4.282 5.209 1.00 0.00 H new ATOM 0 HA ALA A 17 78.358 -7.091 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 17 79.485 -7.267 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.048 -6.219 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 17 79.674 -5.497 3.563 1.00 0.00 H new ATOM 278 N GLY A 18 81.145 -5.357 6.075 1.00 0.00 N ATOM 279 CA GLY A 18 82.511 -5.397 6.592 1.00 0.00 C ATOM 280 C GLY A 18 83.528 -5.138 5.482 1.00 0.00 C ATOM 281 O GLY A 18 84.668 -5.600 5.550 1.00 0.00 O ATOM 0 H GLY A 18 80.827 -4.433 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 18 82.628 -4.650 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 82.703 -6.369 7.045 1.00 0.00 H new ATOM 285 N GLU A 19 83.108 -4.395 4.461 1.00 0.00 N ATOM 286 CA GLU A 19 83.996 -4.081 3.347 1.00 0.00 C ATOM 287 C GLU A 19 84.945 -2.950 3.735 1.00 0.00 C ATOM 288 O GLU A 19 84.993 -2.532 4.892 1.00 0.00 O ATOM 289 CB GLU A 19 83.181 -3.667 2.113 1.00 0.00 C ATOM 290 CG GLU A 19 83.113 -4.832 1.122 1.00 0.00 C ATOM 291 CD GLU A 19 82.927 -4.288 -0.291 1.00 0.00 C ATOM 292 OE1 GLU A 19 81.986 -3.537 -0.495 1.00 0.00 O ATOM 293 OE2 GLU A 19 83.725 -4.629 -1.147 1.00 0.00 O ATOM 0 H GLU A 19 82.169 -4.003 4.382 1.00 0.00 H new ATOM 0 HA GLU A 19 84.576 -4.972 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 19 82.175 -3.373 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 19 83.639 -2.799 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 19 84.026 -5.424 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 19 82.287 -5.495 1.380 1.00 0.00 H new ATOM 300 N GLU A 20 85.706 -2.462 2.757 1.00 0.00 N ATOM 301 CA GLU A 20 86.653 -1.380 3.014 1.00 0.00 C ATOM 302 C GLU A 20 86.558 -0.312 1.929 1.00 0.00 C ATOM 303 O GLU A 20 87.562 0.274 1.522 1.00 0.00 O ATOM 304 CB GLU A 20 88.082 -1.924 3.064 1.00 0.00 C ATOM 305 CG GLU A 20 89.026 -0.829 3.560 1.00 0.00 C ATOM 306 CD GLU A 20 90.203 -1.464 4.295 1.00 0.00 C ATOM 307 OE1 GLU A 20 90.791 -2.382 3.748 1.00 0.00 O ATOM 308 OE2 GLU A 20 90.498 -1.023 5.393 1.00 0.00 O ATOM 0 H GLU A 20 85.686 -2.793 1.792 1.00 0.00 H new ATOM 0 HA GLU A 20 86.401 -0.934 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.131 -2.789 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 88.389 -2.263 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 89.386 -0.236 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 20 88.493 -0.149 4.224 1.00 0.00 H new ATOM 315 N GLU A 21 85.336 -0.062 1.469 1.00 0.00 N ATOM 316 CA GLU A 21 85.106 0.943 0.429 1.00 0.00 C ATOM 317 C GLU A 21 83.624 1.000 0.063 1.00 0.00 C ATOM 318 O GLU A 21 83.012 -0.016 -0.265 1.00 0.00 O ATOM 319 CB GLU A 21 85.924 0.617 -0.832 1.00 0.00 C ATOM 320 CG GLU A 21 87.167 1.514 -0.897 1.00 0.00 C ATOM 321 CD GLU A 21 87.400 1.969 -2.334 1.00 0.00 C ATOM 322 OE1 GLU A 21 86.471 2.495 -2.926 1.00 0.00 O ATOM 323 OE2 GLU A 21 88.503 1.785 -2.822 1.00 0.00 O ATOM 0 H GLU A 21 84.494 -0.536 1.795 1.00 0.00 H new ATOM 0 HA GLU A 21 85.422 1.910 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 86.222 -0.431 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 21 85.311 0.765 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 87.036 2.380 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 88.039 0.971 -0.532 1.00 0.00 H new ATOM 330 N SER A 22 83.055 2.208 0.109 1.00 0.00 N ATOM 331 CA SER A 22 81.638 2.406 -0.227 1.00 0.00 C ATOM 332 C SER A 22 81.297 1.746 -1.559 1.00 0.00 C ATOM 333 O SER A 22 80.267 1.093 -1.697 1.00 0.00 O ATOM 334 CB SER A 22 81.317 3.898 -0.318 1.00 0.00 C ATOM 335 OG SER A 22 82.264 4.531 -1.169 1.00 0.00 O ATOM 0 H SER A 22 83.549 3.060 0.374 1.00 0.00 H new ATOM 0 HA SER A 22 81.043 1.948 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 22 80.309 4.042 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 22 81.344 4.349 0.674 1.00 0.00 H new ATOM 0 HG SER A 22 82.060 5.488 -1.231 1.00 0.00 H new ATOM 341 N ILE A 23 82.180 1.924 -2.533 1.00 0.00 N ATOM 342 CA ILE A 23 81.968 1.341 -3.847 1.00 0.00 C ATOM 343 C ILE A 23 83.224 0.606 -4.306 1.00 0.00 C ATOM 344 O ILE A 23 84.009 1.117 -5.104 1.00 0.00 O ATOM 345 CB ILE A 23 81.617 2.429 -4.865 1.00 0.00 C ATOM 346 CG1 ILE A 23 80.537 3.370 -4.296 1.00 0.00 C ATOM 347 CG2 ILE A 23 81.098 1.770 -6.136 1.00 0.00 C ATOM 348 CD1 ILE A 23 79.286 2.576 -3.890 1.00 0.00 C ATOM 0 H ILE A 23 83.041 2.462 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 23 81.140 0.635 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 23 82.510 3.015 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 23 80.931 3.904 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 80.272 4.120 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 23 80.845 2.538 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 23 81.867 1.117 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 80.209 1.183 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 23 78.536 3.258 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 78.882 2.062 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 23 79.552 1.843 -3.128 1.00 0.00 H new ATOM 360 N ASP A 24 83.401 -0.604 -3.784 1.00 0.00 N ATOM 361 CA ASP A 24 84.563 -1.416 -4.135 1.00 0.00 C ATOM 362 C ASP A 24 84.217 -2.408 -5.244 1.00 0.00 C ATOM 363 O ASP A 24 85.079 -2.807 -6.027 1.00 0.00 O ATOM 364 CB ASP A 24 85.060 -2.192 -2.913 1.00 0.00 C ATOM 365 CG ASP A 24 86.442 -2.768 -3.203 1.00 0.00 C ATOM 366 OD1 ASP A 24 86.549 -3.565 -4.121 1.00 0.00 O ATOM 367 OD2 ASP A 24 87.372 -2.405 -2.503 1.00 0.00 O ATOM 0 H ASP A 24 82.761 -1.042 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 24 85.345 -0.743 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 24 85.103 -1.535 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 24 84.363 -2.995 -2.671 1.00 0.00 H new ATOM 372 N LEU A 25 82.946 -2.804 -5.303 1.00 0.00 N ATOM 373 CA LEU A 25 82.494 -3.753 -6.321 1.00 0.00 C ATOM 374 C LEU A 25 82.798 -3.232 -7.724 1.00 0.00 C ATOM 375 O LEU A 25 83.038 -4.006 -8.651 1.00 0.00 O ATOM 376 CB LEU A 25 80.990 -3.994 -6.196 1.00 0.00 C ATOM 377 CG LEU A 25 80.567 -4.849 -4.999 1.00 0.00 C ATOM 378 CD1 LEU A 25 79.153 -4.458 -4.565 1.00 0.00 C ATOM 379 CD2 LEU A 25 80.586 -6.326 -5.398 1.00 0.00 C ATOM 0 H LEU A 25 82.217 -2.486 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 25 83.030 -4.689 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.487 -3.029 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 25 80.638 -4.475 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 25 81.259 -4.684 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.852 -5.067 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.137 -3.405 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.460 -4.622 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 80.285 -6.937 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.894 -6.489 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 25 81.593 -6.606 -5.708 1.00 0.00 H new ATOM 391 N GLY A 26 82.784 -1.910 -7.870 1.00 0.00 N ATOM 392 CA GLY A 26 83.061 -1.295 -9.165 1.00 0.00 C ATOM 393 C GLY A 26 82.017 -0.233 -9.496 1.00 0.00 C ATOM 394 O GLY A 26 82.307 0.750 -10.179 1.00 0.00 O ATOM 0 H GLY A 26 82.586 -1.250 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 26 84.053 -0.844 -9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 26 83.067 -2.060 -9.942 1.00 0.00 H new ATOM 398 N GLY A 27 80.798 -0.440 -9.004 1.00 0.00 N ATOM 399 CA GLY A 27 79.719 0.503 -9.252 1.00 0.00 C ATOM 400 C GLY A 27 78.711 -0.070 -10.244 1.00 0.00 C ATOM 401 O GLY A 27 77.523 0.246 -10.195 1.00 0.00 O ATOM 0 H GLY A 27 80.537 -1.246 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 27 79.217 0.742 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 27 80.128 1.435 -9.641 1.00 0.00 H new ATOM 405 N ASP A 28 79.199 -0.917 -11.147 1.00 0.00 N ATOM 406 CA ASP A 28 78.337 -1.530 -12.149 1.00 0.00 C ATOM 407 C ASP A 28 77.668 -2.784 -11.585 1.00 0.00 C ATOM 408 O ASP A 28 77.816 -3.886 -12.118 1.00 0.00 O ATOM 409 CB ASP A 28 79.145 -1.898 -13.397 1.00 0.00 C ATOM 410 CG ASP A 28 78.211 -1.993 -14.599 1.00 0.00 C ATOM 411 OD1 ASP A 28 77.694 -0.966 -15.005 1.00 0.00 O ATOM 412 OD2 ASP A 28 78.028 -3.092 -15.095 1.00 0.00 O ATOM 0 H ASP A 28 80.180 -1.192 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 28 77.567 -0.808 -12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.914 -1.148 -13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.657 -2.848 -13.245 1.00 0.00 H new ATOM 417 N VAL A 29 76.926 -2.603 -10.497 1.00 0.00 N ATOM 418 CA VAL A 29 76.233 -3.722 -9.862 1.00 0.00 C ATOM 419 C VAL A 29 74.915 -3.255 -9.252 1.00 0.00 C ATOM 420 O VAL A 29 74.461 -3.785 -8.238 1.00 0.00 O ATOM 421 CB VAL A 29 77.102 -4.338 -8.764 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.336 -4.987 -9.393 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.543 -3.243 -7.790 1.00 0.00 C ATOM 0 H VAL A 29 76.789 -1.702 -10.039 1.00 0.00 H new ATOM 0 HA VAL A 29 76.033 -4.472 -10.627 1.00 0.00 H new ATOM 0 HB VAL A 29 76.528 -5.094 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.955 -5.426 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.023 -5.766 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.911 -4.232 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.162 -3.680 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.117 -2.488 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.664 -2.780 -7.341 1.00 0.00 H new ATOM 433 N GLU A 30 74.308 -2.253 -9.882 1.00 0.00 N ATOM 434 CA GLU A 30 73.043 -1.715 -9.399 1.00 0.00 C ATOM 435 C GLU A 30 71.882 -2.644 -9.757 1.00 0.00 C ATOM 436 O GLU A 30 70.854 -2.666 -9.079 1.00 0.00 O ATOM 437 CB GLU A 30 72.799 -0.333 -10.013 1.00 0.00 C ATOM 438 CG GLU A 30 72.707 -0.441 -11.540 1.00 0.00 C ATOM 439 CD GLU A 30 73.393 0.759 -12.183 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.206 1.859 -11.690 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.095 0.563 -13.162 1.00 0.00 O ATOM 0 H GLU A 30 74.669 -1.801 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 30 73.099 -1.631 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 30 71.878 0.092 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.608 0.344 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.177 -1.365 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.663 -0.483 -11.849 1.00 0.00 H new ATOM 448 N ASP A 31 72.059 -3.409 -10.832 1.00 0.00 N ATOM 449 CA ASP A 31 71.026 -4.335 -11.278 1.00 0.00 C ATOM 450 C ASP A 31 71.495 -5.782 -11.127 1.00 0.00 C ATOM 451 O ASP A 31 71.026 -6.676 -11.831 1.00 0.00 O ATOM 452 CB ASP A 31 70.672 -4.072 -12.743 1.00 0.00 C ATOM 453 CG ASP A 31 69.789 -2.832 -12.838 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.927 -2.677 -11.990 1.00 0.00 O ATOM 455 OD2 ASP A 31 69.990 -2.056 -13.759 1.00 0.00 O ATOM 0 H ASP A 31 72.903 -3.405 -11.405 1.00 0.00 H new ATOM 0 HA ASP A 31 70.144 -4.178 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.581 -3.930 -13.328 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.154 -4.934 -13.163 1.00 0.00 H new ATOM 460 N VAL A 32 72.414 -6.005 -10.188 1.00 0.00 N ATOM 461 CA VAL A 32 72.926 -7.348 -9.938 1.00 0.00 C ATOM 462 C VAL A 32 72.384 -7.857 -8.606 1.00 0.00 C ATOM 463 O VAL A 32 72.460 -7.169 -7.587 1.00 0.00 O ATOM 464 CB VAL A 32 74.456 -7.341 -9.893 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.970 -8.779 -9.806 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.000 -6.681 -11.162 1.00 0.00 C ATOM 0 H VAL A 32 72.815 -5.279 -9.594 1.00 0.00 H new ATOM 0 HA VAL A 32 72.601 -8.002 -10.747 1.00 0.00 H new ATOM 0 HB VAL A 32 74.792 -6.782 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.060 -8.775 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.582 -9.250 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.635 -9.339 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.090 -6.676 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.665 -7.240 -12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.634 -5.656 -11.225 1.00 0.00 H new ATOM 476 N ALA A 33 71.819 -9.063 -8.622 1.00 0.00 N ATOM 477 CA ALA A 33 71.248 -9.645 -7.407 1.00 0.00 C ATOM 478 C ALA A 33 72.277 -9.704 -6.280 1.00 0.00 C ATOM 479 O ALA A 33 73.476 -9.846 -6.520 1.00 0.00 O ATOM 480 CB ALA A 33 70.732 -11.059 -7.673 1.00 0.00 C ATOM 0 H ALA A 33 71.744 -9.651 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 33 70.422 -9.002 -7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.312 -11.472 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.961 -11.026 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.555 -11.689 -8.011 1.00 0.00 H new ATOM 486 N PHE A 34 71.786 -9.596 -5.045 1.00 0.00 N ATOM 487 CA PHE A 34 72.657 -9.638 -3.868 1.00 0.00 C ATOM 488 C PHE A 34 73.499 -10.914 -3.858 1.00 0.00 C ATOM 489 O PHE A 34 74.642 -10.916 -3.403 1.00 0.00 O ATOM 490 CB PHE A 34 71.822 -9.592 -2.586 1.00 0.00 C ATOM 491 CG PHE A 34 71.167 -8.238 -2.449 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.953 -7.093 -2.266 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.772 -8.126 -2.498 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.346 -5.839 -2.134 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.165 -6.872 -2.364 1.00 0.00 C ATOM 496 CZ PHE A 34 69.952 -5.730 -2.182 1.00 0.00 C ATOM 0 H PHE A 34 70.795 -9.479 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 34 73.316 -8.771 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.062 -10.373 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.456 -9.788 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.029 -7.178 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.164 -9.008 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.953 -4.956 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.089 -6.786 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.483 -4.763 -2.078 1.00 0.00 H new ATOM 506 N ASP A 35 72.918 -11.997 -4.366 1.00 0.00 N ATOM 507 CA ASP A 35 73.616 -13.275 -4.413 1.00 0.00 C ATOM 508 C ASP A 35 74.872 -13.166 -5.272 1.00 0.00 C ATOM 509 O ASP A 35 75.910 -13.750 -4.962 1.00 0.00 O ATOM 510 CB ASP A 35 72.703 -14.351 -4.996 1.00 0.00 C ATOM 511 CG ASP A 35 71.475 -14.512 -4.107 1.00 0.00 C ATOM 512 OD1 ASP A 35 70.709 -13.568 -4.013 1.00 0.00 O ATOM 513 OD2 ASP A 35 71.318 -15.579 -3.535 1.00 0.00 O ATOM 0 H ASP A 35 71.972 -12.015 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 35 73.899 -13.547 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.400 -14.077 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 35 73.239 -15.297 -5.069 1.00 0.00 H new ATOM 518 N ALA A 36 74.762 -12.407 -6.358 1.00 0.00 N ATOM 519 CA ALA A 36 75.890 -12.220 -7.264 1.00 0.00 C ATOM 520 C ALA A 36 76.960 -11.348 -6.610 1.00 0.00 C ATOM 521 O ALA A 36 78.156 -11.606 -6.741 1.00 0.00 O ATOM 522 CB ALA A 36 75.422 -11.566 -8.568 1.00 0.00 C ATOM 0 H ALA A 36 73.911 -11.915 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 36 76.316 -13.198 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.274 -11.433 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.681 -12.204 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.977 -10.595 -8.349 1.00 0.00 H new ATOM 528 N LEU A 37 76.514 -10.311 -5.904 1.00 0.00 N ATOM 529 CA LEU A 37 77.443 -9.406 -5.230 1.00 0.00 C ATOM 530 C LEU A 37 78.265 -10.163 -4.194 1.00 0.00 C ATOM 531 O LEU A 37 79.428 -9.845 -3.946 1.00 0.00 O ATOM 532 CB LEU A 37 76.683 -8.277 -4.530 1.00 0.00 C ATOM 533 CG LEU A 37 75.597 -7.602 -5.371 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.006 -6.425 -4.594 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.206 -7.093 -6.679 1.00 0.00 C ATOM 0 H LEU A 37 75.528 -10.078 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 37 78.105 -8.983 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.224 -8.676 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.400 -7.519 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 37 74.810 -8.323 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.233 -5.945 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.571 -6.786 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.793 -5.704 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.432 -6.612 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.993 -6.373 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.627 -7.931 -7.235 1.00 0.00 H new ATOM 547 N GLY A 38 77.645 -11.176 -3.595 1.00 0.00 N ATOM 548 CA GLY A 38 78.324 -11.983 -2.586 1.00 0.00 C ATOM 549 C GLY A 38 77.707 -11.782 -1.203 1.00 0.00 C ATOM 550 O GLY A 38 78.358 -12.010 -0.184 1.00 0.00 O ATOM 0 H GLY A 38 76.683 -11.456 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.267 -13.036 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.381 -11.718 -2.557 1.00 0.00 H new ATOM 554 N TYR A 39 76.444 -11.357 -1.171 1.00 0.00 N ATOM 555 CA TYR A 39 75.763 -11.138 0.101 1.00 0.00 C ATOM 556 C TYR A 39 74.933 -12.361 0.474 1.00 0.00 C ATOM 557 O TYR A 39 74.257 -12.950 -0.371 1.00 0.00 O ATOM 558 CB TYR A 39 74.841 -9.922 0.014 1.00 0.00 C ATOM 559 CG TYR A 39 75.670 -8.662 -0.049 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.587 -8.374 0.968 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.520 -7.780 -1.126 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.353 -7.205 0.909 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.287 -6.612 -1.186 1.00 0.00 C ATOM 564 CZ TYR A 39 77.203 -6.323 -0.168 1.00 0.00 C ATOM 565 OH TYR A 39 77.959 -5.170 -0.227 1.00 0.00 O ATOM 0 H TYR A 39 75.881 -11.161 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 39 76.522 -10.963 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.206 -9.996 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.180 -9.892 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.703 -9.054 1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.812 -8.002 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.060 -6.983 1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.172 -5.933 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 39 77.732 -4.671 -1.040 1.00 0.00 H new ATOM 575 N ASP A 40 74.986 -12.735 1.749 1.00 0.00 N ATOM 576 CA ASP A 40 74.230 -13.888 2.225 1.00 0.00 C ATOM 577 C ASP A 40 72.797 -13.480 2.539 1.00 0.00 C ATOM 578 O ASP A 40 71.858 -13.839 1.829 1.00 0.00 O ATOM 579 CB ASP A 40 74.875 -14.472 3.484 1.00 0.00 C ATOM 580 CG ASP A 40 76.076 -15.323 3.092 1.00 0.00 C ATOM 581 OD1 ASP A 40 77.123 -14.752 2.829 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.935 -16.534 3.060 1.00 0.00 O ATOM 0 H ASP A 40 75.538 -12.262 2.464 1.00 0.00 H new ATOM 0 HA ASP A 40 74.232 -14.644 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.187 -13.669 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.150 -15.076 4.030 1.00 0.00 H new ATOM 587 N SER A 41 72.649 -12.717 3.614 1.00 0.00 N ATOM 588 CA SER A 41 71.337 -12.239 4.045 1.00 0.00 C ATOM 589 C SER A 41 71.479 -11.515 5.374 1.00 0.00 C ATOM 590 O SER A 41 70.879 -10.463 5.600 1.00 0.00 O ATOM 591 CB SER A 41 70.352 -13.401 4.215 1.00 0.00 C ATOM 592 OG SER A 41 69.666 -13.616 2.989 1.00 0.00 O ATOM 0 H SER A 41 73.422 -12.414 4.206 1.00 0.00 H new ATOM 0 HA SER A 41 70.951 -11.565 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.885 -14.305 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.640 -13.177 5.009 1.00 0.00 H new ATOM 0 HG SER A 41 70.317 -13.716 2.263 1.00 0.00 H new ATOM 598 N LEU A 42 72.297 -12.094 6.250 1.00 0.00 N ATOM 599 CA LEU A 42 72.537 -11.509 7.568 1.00 0.00 C ATOM 600 C LEU A 42 73.088 -10.092 7.432 1.00 0.00 C ATOM 601 O LEU A 42 72.810 -9.220 8.255 1.00 0.00 O ATOM 602 CB LEU A 42 73.535 -12.358 8.357 1.00 0.00 C ATOM 603 CG LEU A 42 72.928 -13.550 9.100 1.00 0.00 C ATOM 604 CD1 LEU A 42 74.048 -14.453 9.619 1.00 0.00 C ATOM 605 CD2 LEU A 42 72.095 -13.042 10.281 1.00 0.00 C ATOM 0 H LEU A 42 72.802 -12.962 6.073 1.00 0.00 H new ATOM 0 HA LEU A 42 71.586 -11.479 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.297 -12.727 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.041 -11.718 9.080 1.00 0.00 H new ATOM 0 HG LEU A 42 72.291 -14.116 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.615 -15.302 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.643 -14.814 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.685 -13.888 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.662 -13.890 10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.733 -12.477 10.960 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.297 -12.398 9.913 1.00 0.00 H new ATOM 617 N ALA A 43 73.867 -9.875 6.377 1.00 0.00 N ATOM 618 CA ALA A 43 74.447 -8.560 6.135 1.00 0.00 C ATOM 619 C ALA A 43 73.371 -7.590 5.672 1.00 0.00 C ATOM 620 O ALA A 43 73.307 -6.451 6.129 1.00 0.00 O ATOM 621 CB ALA A 43 75.541 -8.641 5.068 1.00 0.00 C ATOM 0 H ALA A 43 74.109 -10.583 5.684 1.00 0.00 H new ATOM 0 HA ALA A 43 74.883 -8.205 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.961 -7.649 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.327 -9.317 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.114 -9.015 4.137 1.00 0.00 H new ATOM 627 N LEU A 44 72.516 -8.057 4.770 1.00 0.00 N ATOM 628 CA LEU A 44 71.437 -7.218 4.259 1.00 0.00 C ATOM 629 C LEU A 44 70.424 -6.950 5.363 1.00 0.00 C ATOM 630 O LEU A 44 69.917 -5.839 5.507 1.00 0.00 O ATOM 631 CB LEU A 44 70.735 -7.899 3.082 1.00 0.00 C ATOM 632 CG LEU A 44 71.643 -8.240 1.896 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.798 -8.793 0.749 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.368 -6.976 1.427 1.00 0.00 C ATOM 0 H LEU A 44 72.546 -8.999 4.381 1.00 0.00 H new ATOM 0 HA LEU A 44 71.866 -6.276 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.268 -8.817 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.933 -7.249 2.731 1.00 0.00 H new ATOM 0 HG LEU A 44 72.374 -8.987 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.444 -9.036 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.280 -9.693 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.066 -8.045 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.014 -7.219 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.636 -6.229 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.971 -6.579 2.243 1.00 0.00 H new ATOM 646 N LEU A 45 70.151 -7.984 6.155 1.00 0.00 N ATOM 647 CA LEU A 45 69.206 -7.868 7.268 1.00 0.00 C ATOM 648 C LEU A 45 69.612 -6.716 8.193 1.00 0.00 C ATOM 649 O LEU A 45 68.780 -5.916 8.620 1.00 0.00 O ATOM 650 CB LEU A 45 69.170 -9.193 8.055 1.00 0.00 C ATOM 651 CG LEU A 45 68.630 -9.129 9.493 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.298 -8.376 9.512 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.420 -10.550 10.019 1.00 0.00 C ATOM 0 H LEU A 45 70.568 -8.909 6.049 1.00 0.00 H new ATOM 0 HA LEU A 45 68.213 -7.659 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.563 -9.905 7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.182 -9.596 8.090 1.00 0.00 H new ATOM 0 HG LEU A 45 69.347 -8.606 10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.919 -8.333 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.447 -7.363 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.578 -8.895 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.037 -10.508 11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.704 -11.071 9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.369 -11.085 10.010 1.00 0.00 H new ATOM 665 N ASN A 46 70.900 -6.655 8.495 1.00 0.00 N ATOM 666 CA ASN A 46 71.421 -5.614 9.371 1.00 0.00 C ATOM 667 C ASN A 46 71.401 -4.253 8.679 1.00 0.00 C ATOM 668 O ASN A 46 70.887 -3.275 9.224 1.00 0.00 O ATOM 669 CB ASN A 46 72.856 -5.936 9.779 1.00 0.00 C ATOM 670 CG ASN A 46 72.875 -7.170 10.669 1.00 0.00 C ATOM 671 OD1 ASN A 46 71.896 -7.468 11.355 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.946 -7.911 10.697 1.00 0.00 N ATOM 0 H ASN A 46 71.601 -7.310 8.149 1.00 0.00 H new ATOM 0 HA ASN A 46 70.782 -5.576 10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.466 -6.107 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.292 -5.088 10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.976 -8.741 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.754 -7.661 10.127 1.00 0.00 H new ATOM 679 N THR A 47 71.977 -4.192 7.477 1.00 0.00 N ATOM 680 CA THR A 47 72.029 -2.930 6.728 1.00 0.00 C ATOM 681 C THR A 47 70.630 -2.348 6.531 1.00 0.00 C ATOM 682 O THR A 47 70.409 -1.153 6.728 1.00 0.00 O ATOM 683 CB THR A 47 72.686 -3.131 5.360 1.00 0.00 C ATOM 684 OG1 THR A 47 73.701 -4.116 5.462 1.00 0.00 O ATOM 685 CG2 THR A 47 73.306 -1.813 4.893 1.00 0.00 C ATOM 0 H THR A 47 72.408 -4.987 7.005 1.00 0.00 H new ATOM 0 HA THR A 47 72.626 -2.232 7.315 1.00 0.00 H new ATOM 0 HB THR A 47 71.933 -3.456 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.312 -5.003 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.774 -1.956 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.529 -1.053 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.058 -1.489 5.613 1.00 0.00 H new ATOM 693 N VAL A 48 69.688 -3.204 6.147 1.00 0.00 N ATOM 694 CA VAL A 48 68.312 -2.754 5.936 1.00 0.00 C ATOM 695 C VAL A 48 67.734 -2.218 7.246 1.00 0.00 C ATOM 696 O VAL A 48 66.977 -1.248 7.257 1.00 0.00 O ATOM 697 CB VAL A 48 67.436 -3.903 5.418 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.015 -3.396 5.143 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.032 -4.445 4.116 1.00 0.00 C ATOM 0 H VAL A 48 69.845 -4.197 5.977 1.00 0.00 H new ATOM 0 HA VAL A 48 68.321 -1.960 5.189 1.00 0.00 H new ATOM 0 HB VAL A 48 67.400 -4.691 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.400 -4.218 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.584 -3.004 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.049 -2.606 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.413 -5.261 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.067 -3.649 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.042 -4.811 4.303 1.00 0.00 H new ATOM 709 N GLY A 49 68.108 -2.860 8.350 1.00 0.00 N ATOM 710 CA GLY A 49 67.629 -2.434 9.663 1.00 0.00 C ATOM 711 C GLY A 49 68.146 -1.036 9.987 1.00 0.00 C ATOM 712 O GLY A 49 67.460 -0.228 10.616 1.00 0.00 O ATOM 0 H GLY A 49 68.733 -3.666 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.539 -2.439 9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.962 -3.138 10.425 1.00 0.00 H new ATOM 716 N ARG A 50 69.369 -0.759 9.547 1.00 0.00 N ATOM 717 CA ARG A 50 69.975 0.541 9.789 1.00 0.00 C ATOM 718 C ARG A 50 69.318 1.602 8.916 1.00 0.00 C ATOM 719 O ARG A 50 69.113 2.736 9.345 1.00 0.00 O ATOM 720 CB ARG A 50 71.475 0.504 9.491 1.00 0.00 C ATOM 721 CG ARG A 50 72.133 1.783 10.011 1.00 0.00 C ATOM 722 CD ARG A 50 73.393 2.077 9.195 1.00 0.00 C ATOM 723 NE ARG A 50 74.555 1.400 9.777 1.00 0.00 N ATOM 724 CZ ARG A 50 75.158 1.846 10.888 1.00 0.00 C ATOM 725 NH1 ARG A 50 74.730 2.918 11.512 1.00 0.00 N ATOM 726 NH2 ARG A 50 76.190 1.200 11.359 1.00 0.00 N ATOM 0 H ARG A 50 69.954 -1.412 9.026 1.00 0.00 H new ATOM 0 HA ARG A 50 69.826 0.790 10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.928 -0.368 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.641 0.408 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.437 2.618 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 50 72.387 1.671 11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.251 1.747 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.570 3.152 9.164 1.00 0.00 H new ATOM 0 HE ARG A 50 74.917 0.562 9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 50 73.924 3.429 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 50 75.204 3.240 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 50 76.530 0.365 10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.656 1.531 12.204 1.00 0.00 H new ATOM 740 N ILE A 51 68.984 1.220 7.687 1.00 0.00 N ATOM 741 CA ILE A 51 68.342 2.154 6.768 1.00 0.00 C ATOM 742 C ILE A 51 66.919 2.442 7.232 1.00 0.00 C ATOM 743 O ILE A 51 66.524 3.593 7.380 1.00 0.00 O ATOM 744 CB ILE A 51 68.304 1.584 5.346 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.721 1.203 4.911 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.747 2.639 4.384 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.658 0.040 3.919 1.00 0.00 C ATOM 0 H ILE A 51 69.144 0.286 7.309 1.00 0.00 H new ATOM 0 HA ILE A 51 68.923 3.076 6.761 1.00 0.00 H new ATOM 0 HB ILE A 51 67.665 0.701 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 70.214 2.060 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.316 0.921 5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.721 2.232 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.738 2.914 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.386 3.522 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.668 -0.230 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.182 -0.818 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.079 0.338 3.045 1.00 0.00 H new ATOM 759 N GLU A 52 66.151 1.381 7.462 1.00 0.00 N ATOM 760 CA GLU A 52 64.771 1.546 7.910 1.00 0.00 C ATOM 761 C GLU A 52 64.714 2.301 9.238 1.00 0.00 C ATOM 762 O GLU A 52 63.696 2.903 9.571 1.00 0.00 O ATOM 763 CB GLU A 52 64.085 0.189 8.072 1.00 0.00 C ATOM 764 CG GLU A 52 64.887 -0.678 9.042 1.00 0.00 C ATOM 765 CD GLU A 52 64.324 -0.526 10.450 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.115 -0.416 10.575 1.00 0.00 O ATOM 767 OE2 GLU A 52 65.109 -0.522 11.384 1.00 0.00 O ATOM 0 H GLU A 52 66.453 0.413 7.348 1.00 0.00 H new ATOM 0 HA GLU A 52 64.247 2.124 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.070 0.326 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 52 64.006 -0.308 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 52 64.844 -1.722 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.937 -0.384 9.026 1.00 0.00 H new ATOM 774 N ARG A 53 65.811 2.267 9.997 1.00 0.00 N ATOM 775 CA ARG A 53 65.842 2.963 11.280 1.00 0.00 C ATOM 776 C ARG A 53 66.413 4.369 11.119 1.00 0.00 C ATOM 777 O ARG A 53 65.909 5.330 11.700 1.00 0.00 O ATOM 778 CB ARG A 53 66.689 2.191 12.292 1.00 0.00 C ATOM 779 CG ARG A 53 66.519 2.810 13.681 1.00 0.00 C ATOM 780 CD ARG A 53 67.623 3.842 13.920 1.00 0.00 C ATOM 781 NE ARG A 53 67.871 4.011 15.354 1.00 0.00 N ATOM 782 CZ ARG A 53 68.557 5.055 15.840 1.00 0.00 C ATOM 783 NH1 ARG A 53 69.040 5.982 15.046 1.00 0.00 N ATOM 784 NH2 ARG A 53 68.746 5.154 17.127 1.00 0.00 N ATOM 0 H ARG A 53 66.671 1.776 9.751 1.00 0.00 H new ATOM 0 HA ARG A 53 64.817 3.031 11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.388 1.144 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.738 2.216 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 53 65.541 3.283 13.762 1.00 0.00 H new ATOM 0 HG3 ARG A 53 66.562 2.033 14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.539 3.524 13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 53 67.336 4.797 13.480 1.00 0.00 H new ATOM 0 HE ARG A 53 67.510 3.312 16.003 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.896 5.916 14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.559 6.768 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.373 4.441 17.754 1.00 0.00 H new ATOM 0 HH22 ARG A 53 69.267 5.945 17.507 1.00 0.00 H new ATOM 798 N ASP A 54 67.474 4.479 10.326 1.00 0.00 N ATOM 799 CA ASP A 54 68.113 5.768 10.095 1.00 0.00 C ATOM 800 C ASP A 54 67.245 6.644 9.196 1.00 0.00 C ATOM 801 O ASP A 54 67.098 7.843 9.429 1.00 0.00 O ATOM 802 CB ASP A 54 69.476 5.573 9.433 1.00 0.00 C ATOM 803 CG ASP A 54 70.482 5.087 10.471 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.128 4.215 11.248 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.591 5.594 10.475 1.00 0.00 O ATOM 0 H ASP A 54 67.907 3.696 9.836 1.00 0.00 H new ATOM 0 HA ASP A 54 68.242 6.258 11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.397 4.850 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.816 6.511 8.993 1.00 0.00 H new ATOM 810 N TYR A 55 66.675 6.028 8.164 1.00 0.00 N ATOM 811 CA TYR A 55 65.824 6.755 7.229 1.00 0.00 C ATOM 812 C TYR A 55 64.363 6.695 7.668 1.00 0.00 C ATOM 813 O TYR A 55 63.569 7.574 7.332 1.00 0.00 O ATOM 814 CB TYR A 55 65.944 6.164 5.821 1.00 0.00 C ATOM 815 CG TYR A 55 67.270 6.557 5.215 1.00 0.00 C ATOM 816 CD1 TYR A 55 68.459 6.017 5.720 1.00 0.00 C ATOM 817 CD2 TYR A 55 67.309 7.461 4.147 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.688 6.382 5.157 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.537 7.826 3.583 1.00 0.00 C ATOM 820 CZ TYR A 55 69.726 7.287 4.088 1.00 0.00 C ATOM 821 OH TYR A 55 70.937 7.646 3.532 1.00 0.00 O ATOM 0 H TYR A 55 66.786 5.036 7.956 1.00 0.00 H new ATOM 0 HA TYR A 55 66.156 7.793 7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.860 5.078 5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 55 65.127 6.522 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 55 68.428 5.319 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.391 7.877 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.606 5.966 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.567 8.523 2.759 1.00 0.00 H new ATOM 0 HH TYR A 55 70.786 8.280 2.800 1.00 0.00 H new ATOM 831 N GLY A 56 64.005 5.648 8.415 1.00 0.00 N ATOM 832 CA GLY A 56 62.628 5.503 8.874 1.00 0.00 C ATOM 833 C GLY A 56 61.745 4.967 7.752 1.00 0.00 C ATOM 834 O GLY A 56 60.553 5.268 7.683 1.00 0.00 O ATOM 0 H GLY A 56 64.637 4.904 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.592 4.826 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.249 6.466 9.215 1.00 0.00 H new ATOM 838 N VAL A 57 62.344 4.169 6.868 1.00 0.00 N ATOM 839 CA VAL A 57 61.602 3.600 5.748 1.00 0.00 C ATOM 840 C VAL A 57 61.073 2.212 6.109 1.00 0.00 C ATOM 841 O VAL A 57 61.775 1.402 6.713 1.00 0.00 O ATOM 842 CB VAL A 57 62.495 3.508 4.501 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.989 4.909 4.127 1.00 0.00 C ATOM 844 CG2 VAL A 57 63.708 2.612 4.780 1.00 0.00 C ATOM 0 H VAL A 57 63.329 3.906 6.906 1.00 0.00 H new ATOM 0 HA VAL A 57 60.759 4.255 5.530 1.00 0.00 H new ATOM 0 HB VAL A 57 61.914 3.082 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.623 4.847 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 57 62.134 5.552 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.562 5.326 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 64.332 2.556 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.288 3.030 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.368 1.612 5.048 1.00 0.00 H new ATOM 854 N GLN A 58 59.822 1.949 5.735 1.00 0.00 N ATOM 855 CA GLN A 58 59.206 0.655 6.028 1.00 0.00 C ATOM 856 C GLN A 58 57.776 0.601 5.487 1.00 0.00 C ATOM 857 O GLN A 58 56.805 0.582 6.246 1.00 0.00 O ATOM 858 CB GLN A 58 59.182 0.399 7.539 1.00 0.00 C ATOM 859 CG GLN A 58 59.282 -1.105 7.803 1.00 0.00 C ATOM 860 CD GLN A 58 58.592 -1.438 9.122 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.371 -1.581 9.172 1.00 0.00 O ATOM 862 NE2 GLN A 58 59.309 -1.571 10.203 1.00 0.00 N ATOM 0 H GLN A 58 59.221 2.605 5.235 1.00 0.00 H new ATOM 0 HA GLN A 58 59.804 -0.115 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 58 60.010 0.919 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 58 58.263 0.795 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 58 58.818 -1.660 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 58 60.328 -1.409 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 58 60.321 -1.452 10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.858 -1.794 11.090 1.00 0.00 H new ATOM 871 N LEU A 59 57.656 0.571 4.163 1.00 0.00 N ATOM 872 CA LEU A 59 56.340 0.509 3.532 1.00 0.00 C ATOM 873 C LEU A 59 56.128 -0.853 2.875 1.00 0.00 C ATOM 874 O LEU A 59 55.449 -0.970 1.855 1.00 0.00 O ATOM 875 CB LEU A 59 56.191 1.611 2.477 1.00 0.00 C ATOM 876 CG LEU A 59 57.070 1.455 1.231 1.00 0.00 C ATOM 877 CD1 LEU A 59 56.440 2.222 0.064 1.00 0.00 C ATOM 878 CD2 LEU A 59 58.475 2.011 1.514 1.00 0.00 C ATOM 0 H LEU A 59 58.442 0.588 3.513 1.00 0.00 H new ATOM 0 HA LEU A 59 55.589 0.657 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 59 55.148 1.650 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.419 2.569 2.943 1.00 0.00 H new ATOM 0 HG LEU A 59 57.147 0.399 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 59 57.064 2.112 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 59 55.446 1.823 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 59 56.361 3.278 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.097 1.898 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.403 3.067 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.923 1.463 2.343 1.00 0.00 H new ATOM 890 N GLY A 60 56.722 -1.883 3.476 1.00 0.00 N ATOM 891 CA GLY A 60 56.599 -3.238 2.948 1.00 0.00 C ATOM 892 C GLY A 60 57.552 -4.187 3.669 1.00 0.00 C ATOM 893 O GLY A 60 58.769 -4.106 3.511 1.00 0.00 O ATOM 0 H GLY A 60 57.288 -1.805 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.573 -3.587 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.816 -3.238 1.880 1.00 0.00 H new ATOM 897 N ASP A 61 56.983 -5.087 4.466 1.00 0.00 N ATOM 898 CA ASP A 61 57.788 -6.049 5.214 1.00 0.00 C ATOM 899 C ASP A 61 58.489 -7.015 4.266 1.00 0.00 C ATOM 900 O ASP A 61 59.616 -7.448 4.514 1.00 0.00 O ATOM 901 CB ASP A 61 56.909 -6.847 6.180 1.00 0.00 C ATOM 902 CG ASP A 61 56.159 -5.889 7.097 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.219 -5.266 6.630 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.533 -5.791 8.254 1.00 0.00 O ATOM 0 H ASP A 61 55.977 -5.171 4.610 1.00 0.00 H new ATOM 0 HA ASP A 61 58.535 -5.492 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.202 -7.461 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.524 -7.526 6.771 1.00 0.00 H new ATOM 909 N ASP A 62 57.811 -7.349 3.171 1.00 0.00 N ATOM 910 CA ASP A 62 58.378 -8.269 2.191 1.00 0.00 C ATOM 911 C ASP A 62 59.395 -7.577 1.279 1.00 0.00 C ATOM 912 O ASP A 62 59.971 -8.210 0.394 1.00 0.00 O ATOM 913 CB ASP A 62 57.273 -8.880 1.326 1.00 0.00 C ATOM 914 CG ASP A 62 56.433 -7.766 0.708 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.635 -7.186 1.426 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.601 -7.510 -0.472 1.00 0.00 O ATOM 0 H ASP A 62 56.880 -7.001 2.942 1.00 0.00 H new ATOM 0 HA ASP A 62 58.889 -9.052 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.711 -9.497 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.643 -9.532 1.930 1.00 0.00 H new ATOM 921 N ALA A 63 59.634 -6.282 1.505 1.00 0.00 N ATOM 922 CA ALA A 63 60.603 -5.545 0.700 1.00 0.00 C ATOM 923 C ALA A 63 61.972 -6.208 0.796 1.00 0.00 C ATOM 924 O ALA A 63 62.750 -6.209 -0.157 1.00 0.00 O ATOM 925 CB ALA A 63 60.723 -4.109 1.204 1.00 0.00 C ATOM 0 H ALA A 63 59.175 -5.731 2.230 1.00 0.00 H new ATOM 0 HA ALA A 63 60.260 -5.546 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.449 -3.569 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.753 -3.617 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.053 -4.114 2.243 1.00 0.00 H new ATOM 931 N VAL A 64 62.245 -6.780 1.965 1.00 0.00 N ATOM 932 CA VAL A 64 63.516 -7.459 2.186 1.00 0.00 C ATOM 933 C VAL A 64 63.592 -8.729 1.335 1.00 0.00 C ATOM 934 O VAL A 64 64.675 -9.169 0.949 1.00 0.00 O ATOM 935 CB VAL A 64 63.680 -7.810 3.675 1.00 0.00 C ATOM 936 CG1 VAL A 64 62.565 -8.765 4.115 1.00 0.00 C ATOM 937 CG2 VAL A 64 65.042 -8.474 3.908 1.00 0.00 C ATOM 0 H VAL A 64 61.612 -6.787 2.764 1.00 0.00 H new ATOM 0 HA VAL A 64 64.325 -6.790 1.892 1.00 0.00 H new ATOM 0 HB VAL A 64 63.620 -6.893 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 64 62.689 -9.008 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 61.597 -8.288 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.615 -9.679 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 64 65.151 -8.720 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 65.108 -9.386 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.836 -7.789 3.611 1.00 0.00 H new ATOM 947 N GLU A 65 62.429 -9.312 1.048 1.00 0.00 N ATOM 948 CA GLU A 65 62.377 -10.527 0.246 1.00 0.00 C ATOM 949 C GLU A 65 62.504 -10.196 -1.238 1.00 0.00 C ATOM 950 O GLU A 65 63.371 -10.723 -1.936 1.00 0.00 O ATOM 951 CB GLU A 65 61.059 -11.269 0.481 1.00 0.00 C ATOM 952 CG GLU A 65 61.249 -12.756 0.177 1.00 0.00 C ATOM 953 CD GLU A 65 61.802 -13.460 1.410 1.00 0.00 C ATOM 954 OE1 GLU A 65 61.190 -13.347 2.459 1.00 0.00 O ATOM 955 OE2 GLU A 65 62.832 -14.103 1.288 1.00 0.00 O ATOM 0 H GLU A 65 61.521 -8.965 1.356 1.00 0.00 H new ATOM 0 HA GLU A 65 63.210 -11.162 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.734 -11.137 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.277 -10.854 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.298 -13.203 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.931 -12.882 -0.664 1.00 0.00 H new ATOM 962 N LYS A 66 61.624 -9.319 -1.713 1.00 0.00 N ATOM 963 CA LYS A 66 61.638 -8.921 -3.118 1.00 0.00 C ATOM 964 C LYS A 66 62.943 -8.212 -3.467 1.00 0.00 C ATOM 965 O LYS A 66 63.426 -8.292 -4.596 1.00 0.00 O ATOM 966 CB LYS A 66 60.466 -7.984 -3.420 1.00 0.00 C ATOM 967 CG LYS A 66 59.157 -8.647 -2.985 1.00 0.00 C ATOM 968 CD LYS A 66 58.019 -8.174 -3.894 1.00 0.00 C ATOM 969 CE LYS A 66 56.946 -9.261 -3.975 1.00 0.00 C ATOM 970 NZ LYS A 66 55.997 -9.108 -2.836 1.00 0.00 N ATOM 0 H LYS A 66 60.898 -8.874 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 66 61.548 -9.825 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.599 -7.038 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.434 -7.756 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.251 -9.732 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.937 -8.396 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.588 -7.251 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.403 -7.952 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.410 -9.188 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 66 57.409 -10.247 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.785 -10.043 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.426 -8.505 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.117 -8.669 -3.174 1.00 0.00 H new ATOM 984 N ALA A 67 63.507 -7.511 -2.486 1.00 0.00 N ATOM 985 CA ALA A 67 64.757 -6.784 -2.702 1.00 0.00 C ATOM 986 C ALA A 67 65.876 -7.741 -3.102 1.00 0.00 C ATOM 987 O ALA A 67 66.511 -8.369 -2.255 1.00 0.00 O ATOM 988 CB ALA A 67 65.171 -6.040 -1.432 1.00 0.00 C ATOM 0 H ALA A 67 63.124 -7.431 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 67 64.589 -6.068 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.103 -5.505 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.392 -5.329 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.313 -6.755 -0.622 1.00 0.00 H new ATOM 994 N THR A 68 66.115 -7.834 -4.407 1.00 0.00 N ATOM 995 CA THR A 68 67.170 -8.706 -4.921 1.00 0.00 C ATOM 996 C THR A 68 68.385 -7.870 -5.316 1.00 0.00 C ATOM 997 O THR A 68 69.526 -8.310 -5.199 1.00 0.00 O ATOM 998 CB THR A 68 66.679 -9.497 -6.139 1.00 0.00 C ATOM 999 OG1 THR A 68 67.748 -10.278 -6.654 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.182 -8.535 -7.220 1.00 0.00 C ATOM 0 H THR A 68 65.599 -7.322 -5.123 1.00 0.00 H new ATOM 0 HA THR A 68 67.446 -9.409 -4.135 1.00 0.00 H new ATOM 0 HB THR A 68 65.859 -10.149 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.437 -10.786 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.835 -9.104 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.360 -7.937 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 68 66.996 -7.877 -7.524 1.00 0.00 H new ATOM 1008 N THR A 69 68.118 -6.651 -5.776 1.00 0.00 N ATOM 1009 CA THR A 69 69.184 -5.738 -6.175 1.00 0.00 C ATOM 1010 C THR A 69 69.200 -4.538 -5.225 1.00 0.00 C ATOM 1011 O THR A 69 68.263 -4.353 -4.448 1.00 0.00 O ATOM 1012 CB THR A 69 68.962 -5.231 -7.614 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.635 -5.532 -8.029 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.953 -5.902 -8.566 1.00 0.00 C ATOM 0 H THR A 69 67.176 -6.274 -5.881 1.00 0.00 H new ATOM 0 HA THR A 69 70.133 -6.273 -6.132 1.00 0.00 H new ATOM 0 HB THR A 69 69.117 -4.152 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.496 -5.207 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.788 -5.537 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.971 -5.666 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.807 -6.982 -8.541 1.00 0.00 H new ATOM 1022 N PRO A 70 70.237 -3.693 -5.281 1.00 0.00 N ATOM 1023 CA PRO A 70 70.301 -2.510 -4.407 1.00 0.00 C ATOM 1024 C PRO A 70 69.257 -1.479 -4.813 1.00 0.00 C ATOM 1025 O PRO A 70 68.698 -0.774 -3.975 1.00 0.00 O ATOM 1026 CB PRO A 70 71.721 -2.002 -4.627 1.00 0.00 C ATOM 1027 CG PRO A 70 72.167 -2.541 -5.976 1.00 0.00 C ATOM 1028 CD PRO A 70 71.385 -3.835 -6.208 1.00 0.00 C ATOM 0 HA PRO A 70 70.090 -2.726 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.749 -0.912 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.384 -2.346 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 70 71.966 -1.819 -6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.240 -2.730 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.059 -3.931 -7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 70 71.984 -4.717 -5.979 1.00 0.00 H new ATOM 1036 N ARG A 71 68.977 -1.428 -6.113 1.00 0.00 N ATOM 1037 CA ARG A 71 67.971 -0.508 -6.626 1.00 0.00 C ATOM 1038 C ARG A 71 66.603 -0.835 -6.024 1.00 0.00 C ATOM 1039 O ARG A 71 65.747 0.039 -5.892 1.00 0.00 O ATOM 1040 CB ARG A 71 67.880 -0.608 -8.150 1.00 0.00 C ATOM 1041 CG ARG A 71 69.222 -0.212 -8.768 1.00 0.00 C ATOM 1042 CD ARG A 71 69.308 1.312 -8.875 1.00 0.00 C ATOM 1043 NE ARG A 71 70.018 1.701 -10.095 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.097 2.978 -10.497 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.537 3.945 -9.809 1.00 0.00 N ATOM 1046 NH2 ARG A 71 70.742 3.265 -11.595 1.00 0.00 N ATOM 0 H ARG A 71 69.428 -2.007 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 71 68.263 0.504 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.618 -1.625 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.090 0.044 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.041 -0.591 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.326 -0.662 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.305 1.739 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.823 1.715 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 71 70.467 0.978 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.029 3.732 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.609 4.909 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.180 2.521 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 70.808 4.233 -11.910 1.00 0.00 H new ATOM 1060 N ALA A 72 66.410 -2.104 -5.652 1.00 0.00 N ATOM 1061 CA ALA A 72 65.145 -2.526 -5.058 1.00 0.00 C ATOM 1062 C ALA A 72 64.957 -1.845 -3.712 1.00 0.00 C ATOM 1063 O ALA A 72 63.974 -1.139 -3.485 1.00 0.00 O ATOM 1064 CB ALA A 72 65.120 -4.041 -4.860 1.00 0.00 C ATOM 0 H ALA A 72 67.104 -2.845 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 72 64.338 -2.243 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.169 -4.334 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.239 -4.536 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.935 -4.335 -4.198 1.00 0.00 H new ATOM 1070 N LEU A 73 65.924 -2.055 -2.821 1.00 0.00 N ATOM 1071 CA LEU A 73 65.877 -1.447 -1.490 1.00 0.00 C ATOM 1072 C LEU A 73 65.775 0.069 -1.612 1.00 0.00 C ATOM 1073 O LEU A 73 64.957 0.708 -0.950 1.00 0.00 O ATOM 1074 CB LEU A 73 67.135 -1.791 -0.691 1.00 0.00 C ATOM 1075 CG LEU A 73 67.466 -3.281 -0.605 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.876 -3.459 -0.038 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.458 -3.974 0.314 1.00 0.00 C ATOM 0 H LEU A 73 66.744 -2.637 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 73 65.002 -1.840 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.983 -1.272 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.021 -1.402 0.321 1.00 0.00 H new ATOM 0 HG LEU A 73 67.416 -3.722 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.112 -4.521 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.596 -2.964 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.926 -3.018 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.693 -5.037 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.509 -3.532 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.453 -3.848 -0.088 1.00 0.00 H new ATOM 1089 N ILE A 74 66.608 0.633 -2.485 1.00 0.00 N ATOM 1090 CA ILE A 74 66.601 2.077 -2.713 1.00 0.00 C ATOM 1091 C ILE A 74 65.222 2.513 -3.210 1.00 0.00 C ATOM 1092 O ILE A 74 64.699 3.550 -2.808 1.00 0.00 O ATOM 1093 CB ILE A 74 67.664 2.464 -3.757 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.052 2.071 -3.247 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.642 3.977 -4.010 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.039 2.071 -4.417 1.00 0.00 C ATOM 0 H ILE A 74 67.290 0.118 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 74 66.830 2.578 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 74 67.442 1.939 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.381 2.770 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.017 1.084 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.400 4.233 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.659 4.270 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.851 4.505 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.029 1.791 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.711 1.355 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.081 3.067 -4.858 1.00 0.00 H new ATOM 1108 N GLU A 75 64.642 1.704 -4.089 1.00 0.00 N ATOM 1109 CA GLU A 75 63.328 2.018 -4.637 1.00 0.00 C ATOM 1110 C GLU A 75 62.281 2.045 -3.533 1.00 0.00 C ATOM 1111 O GLU A 75 61.507 2.995 -3.414 1.00 0.00 O ATOM 1112 CB GLU A 75 62.923 0.989 -5.693 1.00 0.00 C ATOM 1113 CG GLU A 75 63.384 1.463 -7.073 1.00 0.00 C ATOM 1114 CD GLU A 75 62.993 0.431 -8.125 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.814 0.126 -8.216 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.876 -0.040 -8.822 1.00 0.00 O ATOM 0 H GLU A 75 65.054 0.837 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 75 63.386 3.002 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.368 0.021 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 75 61.842 0.852 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 75 62.931 2.426 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.464 1.609 -7.076 1.00 0.00 H new ATOM 1123 N MET A 76 62.269 0.996 -2.720 1.00 0.00 N ATOM 1124 CA MET A 76 61.313 0.919 -1.622 1.00 0.00 C ATOM 1125 C MET A 76 61.576 2.041 -0.624 1.00 0.00 C ATOM 1126 O MET A 76 60.650 2.613 -0.047 1.00 0.00 O ATOM 1127 CB MET A 76 61.422 -0.431 -0.907 1.00 0.00 C ATOM 1128 CG MET A 76 60.411 -1.409 -1.510 1.00 0.00 C ATOM 1129 SD MET A 76 58.752 -1.012 -0.905 1.00 0.00 S ATOM 1130 CE MET A 76 59.023 -1.482 0.822 1.00 0.00 C ATOM 0 H MET A 76 62.900 0.198 -2.797 1.00 0.00 H new ATOM 0 HA MET A 76 60.309 1.022 -2.033 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.432 -0.827 -1.007 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.233 -0.307 0.159 1.00 0.00 H new ATOM 0 HG2 MET A 76 60.437 -1.350 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 76 60.673 -2.432 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 76 58.417 -2.356 1.061 1.00 0.00 H new ATOM 0 HE2 MET A 76 60.076 -1.718 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 76 58.739 -0.655 1.473 1.00 0.00 H new ATOM 1140 N THR A 77 62.854 2.354 -0.431 1.00 0.00 N ATOM 1141 CA THR A 77 63.237 3.413 0.493 1.00 0.00 C ATOM 1142 C THR A 77 62.803 4.772 -0.048 1.00 0.00 C ATOM 1143 O THR A 77 62.148 5.548 0.645 1.00 0.00 O ATOM 1144 CB THR A 77 64.755 3.416 0.704 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.180 2.114 1.082 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.124 4.411 1.805 1.00 0.00 C ATOM 0 H THR A 77 63.635 1.893 -0.898 1.00 0.00 H new ATOM 0 HA THR A 77 62.741 3.228 1.446 1.00 0.00 H new ATOM 0 HB THR A 77 65.247 3.709 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.507 1.635 0.292 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.204 4.409 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.799 5.410 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.632 4.124 2.734 1.00 0.00 H new ATOM 1154 N ASN A 78 63.168 5.050 -1.298 1.00 0.00 N ATOM 1155 CA ASN A 78 62.810 6.323 -1.925 1.00 0.00 C ATOM 1156 C ASN A 78 61.299 6.473 -1.993 1.00 0.00 C ATOM 1157 O ASN A 78 60.759 7.569 -1.853 1.00 0.00 O ATOM 1158 CB ASN A 78 63.373 6.400 -3.343 1.00 0.00 C ATOM 1159 CG ASN A 78 64.847 6.778 -3.288 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.229 7.887 -3.649 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.711 5.911 -2.849 1.00 0.00 N ATOM 0 H ASN A 78 63.706 4.419 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 78 63.234 7.124 -1.320 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.252 5.440 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.820 7.137 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.701 6.154 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.399 4.988 -2.548 1.00 0.00 H new ATOM 1168 N ALA A 79 60.629 5.348 -2.205 1.00 0.00 N ATOM 1169 CA ALA A 79 59.175 5.334 -2.290 1.00 0.00 C ATOM 1170 C ALA A 79 58.575 5.764 -0.963 1.00 0.00 C ATOM 1171 O ALA A 79 57.533 6.419 -0.914 1.00 0.00 O ATOM 1172 CB ALA A 79 58.676 3.928 -2.623 1.00 0.00 C ATOM 0 H ALA A 79 61.068 4.435 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 79 58.870 6.024 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.588 3.933 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.091 3.612 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 58.993 3.235 -1.843 1.00 0.00 H new ATOM 1178 N SER A 80 59.251 5.385 0.113 1.00 0.00 N ATOM 1179 CA SER A 80 58.787 5.730 1.446 1.00 0.00 C ATOM 1180 C SER A 80 59.018 7.214 1.713 1.00 0.00 C ATOM 1181 O SER A 80 58.142 7.911 2.224 1.00 0.00 O ATOM 1182 CB SER A 80 59.503 4.871 2.504 1.00 0.00 C ATOM 1183 OG SER A 80 60.563 5.603 3.109 1.00 0.00 O ATOM 0 H SER A 80 60.115 4.843 0.088 1.00 0.00 H new ATOM 0 HA SER A 80 57.718 5.527 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.791 4.555 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.897 3.966 2.040 1.00 0.00 H new ATOM 0 HG SER A 80 60.307 5.856 4.021 1.00 0.00 H new ATOM 1189 N LEU A 81 60.209 7.689 1.358 1.00 0.00 N ATOM 1190 CA LEU A 81 60.535 9.092 1.566 1.00 0.00 C ATOM 1191 C LEU A 81 59.665 9.974 0.677 1.00 0.00 C ATOM 1192 O LEU A 81 59.073 10.949 1.140 1.00 0.00 O ATOM 1193 CB LEU A 81 62.012 9.367 1.251 1.00 0.00 C ATOM 1194 CG LEU A 81 63.043 8.937 2.314 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.512 9.179 3.731 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.369 7.453 2.148 1.00 0.00 C ATOM 0 H LEU A 81 60.951 7.133 0.933 1.00 0.00 H new ATOM 0 HA LEU A 81 60.346 9.324 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.259 8.864 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.129 10.437 1.078 1.00 0.00 H new ATOM 0 HG LEU A 81 63.942 9.536 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.261 8.866 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.298 10.240 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.598 8.604 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.098 7.154 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.459 6.865 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.783 7.280 1.154 1.00 0.00 H new ATOM 1208 N THR A 82 59.592 9.625 -0.605 1.00 0.00 N ATOM 1209 CA THR A 82 58.784 10.405 -1.541 1.00 0.00 C ATOM 1210 C THR A 82 57.301 10.300 -1.183 1.00 0.00 C ATOM 1211 O THR A 82 56.528 11.234 -1.394 1.00 0.00 O ATOM 1212 CB THR A 82 59.000 9.928 -2.985 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.260 10.759 -3.868 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.536 8.477 -3.144 1.00 0.00 C ATOM 0 H THR A 82 60.072 8.824 -1.015 1.00 0.00 H new ATOM 0 HA THR A 82 59.099 11.446 -1.466 1.00 0.00 H new ATOM 0 HB THR A 82 60.063 9.985 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.396 10.459 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.696 8.155 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.106 7.837 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.476 8.406 -2.902 1.00 0.00 H new ATOM 1222 N GLY A 83 56.915 9.146 -0.641 1.00 0.00 N ATOM 1223 CA GLY A 83 55.523 8.924 -0.259 1.00 0.00 C ATOM 1224 C GLY A 83 55.093 9.912 0.819 1.00 0.00 C ATOM 1225 O GLY A 83 54.211 10.744 0.604 1.00 0.00 O ATOM 0 H GLY A 83 57.538 8.360 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.880 9.030 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.400 7.904 0.106 1.00 0.00 H new ATOM 1229 N ALA A 84 55.727 9.809 1.986 1.00 0.00 N ATOM 1230 CA ALA A 84 55.404 10.698 3.101 1.00 0.00 C ATOM 1231 C ALA A 84 53.944 10.533 3.512 1.00 0.00 C ATOM 1232 O ALA A 84 53.297 11.482 3.956 1.00 0.00 O ATOM 1233 CB ALA A 84 55.652 12.158 2.715 1.00 0.00 C ATOM 0 H ALA A 84 56.459 9.127 2.183 1.00 0.00 H new ATOM 0 HA ALA A 84 56.049 10.431 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 84 55.406 12.804 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 84 56.701 12.291 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 84 55.026 12.420 1.862 1.00 0.00 H new ATOM 1239 N SER A 85 53.431 9.315 3.355 1.00 0.00 N ATOM 1240 CA SER A 85 52.043 9.032 3.713 1.00 0.00 C ATOM 1241 C SER A 85 51.749 7.534 3.571 1.00 0.00 C ATOM 1242 O SER A 85 52.498 6.813 2.912 1.00 0.00 O ATOM 1243 CB SER A 85 51.088 9.813 2.811 1.00 0.00 C ATOM 1244 OG SER A 85 50.910 11.122 3.337 1.00 0.00 O ATOM 0 H SER A 85 53.948 8.517 2.987 1.00 0.00 H new ATOM 0 HA SER A 85 51.894 9.336 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 85 51.488 9.867 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 85 50.128 9.300 2.748 1.00 0.00 H new ATOM 0 HG SER A 85 51.717 11.392 3.824 1.00 0.00 H new ATOM 1250 N PRO A 86 50.658 7.044 4.184 1.00 0.00 N ATOM 1251 CA PRO A 86 50.295 5.618 4.104 1.00 0.00 C ATOM 1252 C PRO A 86 49.547 5.274 2.818 1.00 0.00 C ATOM 1253 O PRO A 86 48.328 5.430 2.731 1.00 0.00 O ATOM 1254 CB PRO A 86 49.391 5.445 5.318 1.00 0.00 C ATOM 1255 CG PRO A 86 48.820 6.818 5.652 1.00 0.00 C ATOM 1256 CD PRO A 86 49.722 7.864 4.989 1.00 0.00 C ATOM 0 HA PRO A 86 51.166 4.963 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 86 48.591 4.737 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 86 49.953 5.046 6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 86 47.797 6.907 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 86 48.788 6.968 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 86 49.150 8.551 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 86 50.249 8.468 5.728 1.00 0.00 H new ATOM 1264 N SER A 87 50.292 4.803 1.822 1.00 0.00 N ATOM 1265 CA SER A 87 49.693 4.439 0.541 1.00 0.00 C ATOM 1266 C SER A 87 49.978 2.976 0.218 1.00 0.00 C ATOM 1267 O SER A 87 50.572 2.253 1.016 1.00 0.00 O ATOM 1268 CB SER A 87 50.251 5.315 -0.580 1.00 0.00 C ATOM 1269 OG SER A 87 49.426 5.187 -1.730 1.00 0.00 O ATOM 0 H SER A 87 51.301 4.665 1.875 1.00 0.00 H new ATOM 0 HA SER A 87 48.616 4.592 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 87 50.289 6.356 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 87 51.273 5.017 -0.816 1.00 0.00 H new ATOM 0 HG SER A 87 49.780 5.749 -2.451 1.00 0.00 H new ATOM 1275 N ALA A 88 49.546 2.549 -0.966 1.00 0.00 N ATOM 1276 CA ALA A 88 49.758 1.167 -1.395 1.00 0.00 C ATOM 1277 C ALA A 88 49.074 0.198 -0.435 1.00 0.00 C ATOM 1278 O ALA A 88 49.649 -0.207 0.575 1.00 0.00 O ATOM 1279 CB ALA A 88 51.252 0.843 -1.450 1.00 0.00 C ATOM 0 H ALA A 88 49.052 3.133 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 88 49.328 1.057 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 88 51.389 -0.190 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 88 51.743 1.511 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 88 51.690 0.976 -0.461 1.00 0.00 H new ATOM 1285 N GLY A 89 47.838 -0.168 -0.765 1.00 0.00 N ATOM 1286 CA GLY A 89 47.080 -1.092 0.075 1.00 0.00 C ATOM 1287 C GLY A 89 45.878 -0.392 0.700 1.00 0.00 C ATOM 1288 O GLY A 89 45.946 0.780 1.069 1.00 0.00 O ATOM 0 H GLY A 89 47.345 0.156 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 89 46.743 -1.940 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 89 47.724 -1.489 0.860 1.00 0.00 H new ATOM 1292 N GLY A 90 44.775 -1.126 0.816 1.00 0.00 N ATOM 1293 CA GLY A 90 43.558 -0.568 1.399 1.00 0.00 C ATOM 1294 C GLY A 90 42.646 -0.008 0.313 1.00 0.00 C ATOM 1295 O GLY A 90 41.926 -0.748 -0.355 1.00 0.00 O ATOM 0 H GLY A 90 44.698 -2.098 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 90 43.031 -1.340 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 90 43.816 0.221 2.106 1.00 0.00 H new ATOM 1299 N ALA A 91 42.689 1.314 0.146 1.00 0.00 N ATOM 1300 CA ALA A 91 41.867 1.986 -0.860 1.00 0.00 C ATOM 1301 C ALA A 91 40.382 1.844 -0.525 1.00 0.00 C ATOM 1302 O ALA A 91 39.756 2.772 -0.013 1.00 0.00 O ATOM 1303 CB ALA A 91 42.137 1.413 -2.259 1.00 0.00 C ATOM 0 H ALA A 91 43.282 1.939 0.692 1.00 0.00 H new ATOM 0 HA ALA A 91 42.134 3.043 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 91 41.514 1.929 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 91 43.187 1.554 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 91 41.901 0.349 -2.268 1.00 0.00 H new ATOM 1309 N ALA A 92 39.825 0.673 -0.820 1.00 0.00 N ATOM 1310 CA ALA A 92 38.413 0.420 -0.545 1.00 0.00 C ATOM 1311 C ALA A 92 38.140 -1.079 -0.496 1.00 0.00 C ATOM 1312 O ALA A 92 37.464 -1.573 0.407 1.00 0.00 O ATOM 1313 CB ALA A 92 37.536 1.051 -1.628 1.00 0.00 C ATOM 0 H ALA A 92 40.323 -0.109 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 92 38.173 0.864 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 92 36.487 0.853 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 92 37.705 2.128 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 92 37.790 0.623 -2.597 1.00 0.00 H new ATOM 1319 N ARG A 93 38.675 -1.795 -1.479 1.00 0.00 N ATOM 1320 CA ARG A 93 38.486 -3.242 -1.545 1.00 0.00 C ATOM 1321 C ARG A 93 39.805 -3.936 -1.875 1.00 0.00 C ATOM 1322 O ARG A 93 39.834 -4.947 -2.575 1.00 0.00 O ATOM 1323 CB ARG A 93 37.451 -3.598 -2.615 1.00 0.00 C ATOM 1324 CG ARG A 93 36.681 -4.848 -2.186 1.00 0.00 C ATOM 1325 CD ARG A 93 35.821 -5.343 -3.349 1.00 0.00 C ATOM 1326 NE ARG A 93 34.758 -6.228 -2.866 1.00 0.00 N ATOM 1327 CZ ARG A 93 34.092 -7.056 -3.685 1.00 0.00 C ATOM 1328 NH1 ARG A 93 34.365 -7.109 -4.967 1.00 0.00 N ATOM 1329 NH2 ARG A 93 33.156 -7.823 -3.197 1.00 0.00 N ATOM 0 H ARG A 93 39.238 -1.404 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 93 38.131 -3.581 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 93 36.762 -2.766 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 93 37.946 -3.773 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 93 37.377 -5.628 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 93 36.052 -4.623 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.384 -4.493 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 93 36.444 -5.874 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 93 34.516 -6.214 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 93 35.095 -6.514 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 93 33.847 -7.745 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.937 -7.789 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.644 -8.456 -3.811 1.00 0.00 H new ATOM 1343 N ASP A 94 40.898 -3.377 -1.359 1.00 0.00 N ATOM 1344 CA ASP A 94 42.223 -3.946 -1.600 1.00 0.00 C ATOM 1345 C ASP A 94 42.539 -3.951 -3.093 1.00 0.00 C ATOM 1346 O ASP A 94 43.231 -4.839 -3.593 1.00 0.00 O ATOM 1347 CB ASP A 94 42.299 -5.379 -1.069 1.00 0.00 C ATOM 1348 CG ASP A 94 41.882 -5.402 0.398 1.00 0.00 C ATOM 1349 OD1 ASP A 94 42.473 -4.667 1.172 1.00 0.00 O ATOM 1350 OD2 ASP A 94 40.979 -6.154 0.725 1.00 0.00 O ATOM 0 H ASP A 94 40.894 -2.539 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 94 42.952 -3.328 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 94 41.648 -6.029 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 94 43.313 -5.764 -1.176 1.00 0.00 H new ATOM 1355 N LYS A 95 42.025 -2.948 -3.798 1.00 0.00 N ATOM 1356 CA LYS A 95 42.257 -2.842 -5.236 1.00 0.00 C ATOM 1357 C LYS A 95 42.502 -1.389 -5.630 1.00 0.00 C ATOM 1358 O LYS A 95 43.238 -1.169 -6.577 1.00 0.00 O ATOM 1359 CB LYS A 95 41.053 -3.374 -6.014 1.00 0.00 C ATOM 1360 CG LYS A 95 39.782 -2.667 -5.534 1.00 0.00 C ATOM 1361 CD LYS A 95 38.579 -3.189 -6.323 1.00 0.00 C ATOM 1362 CE LYS A 95 38.360 -2.314 -7.558 1.00 0.00 C ATOM 1363 NZ LYS A 95 37.369 -1.246 -7.240 1.00 0.00 N ATOM 1364 OXT LYS A 95 41.948 -0.518 -4.980 1.00 0.00 O ATOM 0 H LYS A 95 41.451 -2.203 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 95 43.137 -3.438 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 95 41.194 -3.207 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 95 40.960 -4.450 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 95 39.636 -2.843 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 95 39.879 -1.590 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 95 38.748 -4.223 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 95 37.688 -3.181 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 95 39.303 -1.868 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 95 38.002 -2.922 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 37.219 -0.650 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 36.467 -1.682 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 37.728 -0.660 -6.459 1.00 0.00 H new TER 1378 LYS A 95