USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot -56:sc= 0.829 USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= -0.466 (180deg=0) USER MOD Set 3.1: A 15 SER OG : rot -71:sc= 1.14 USER MOD Set 3.2: A 16 THR OG1 : rot -86:sc= -0.341 USER MOD Set 4.1: A 7 LYS NZ :NH3+ 172:sc= -2.71! (180deg=-0.143) USER MOD Set 4.2: A 32 ASN : amide:sc= -2.35! C(o=-5.1!,f=-19!) USER MOD Single : A 4 LYS NZ :NH3+ -129:sc= -1.5 (180deg=-3.58!) USER MOD Single : A 17 MET CE :methyl -171:sc= 0 (180deg=-0.0421) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.189) USER MOD Single : A 31 ASN : amide:sc= -0.0554 K(o=-0.055,f=-2.1!) USER MOD Single : A 44 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.5) USER MOD Single : A 51 TYR OH : rot -44:sc= -3.48! USER MOD Single : A 59 ASN :FLIP amide:sc= -2.96 F(o=-3.5!,f=-3) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.19 F(o=-4,f=-1.2) USER MOD Single : A 63 MET CE :methyl 172:sc= 0 (180deg=-0.0115) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.193) USER MOD Single : A 71 THR OG1 : rot 81:sc= -0.802 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 91 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.729) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -7.05! C(o=-7!,f=-9.1!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.138 F(o=-0.89,f=-0.14) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.662 USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= -0.447 (180deg=-0.551) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.158) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.855 -0.517 9.617 1.00 0.00 N ATOM 2 CA ALA A 2 -12.712 0.433 9.725 1.00 0.00 C ATOM 3 C ALA A 2 -13.137 1.805 9.202 1.00 0.00 C ATOM 4 O ALA A 2 -14.086 1.925 8.452 1.00 0.00 O ATOM 5 CB ALA A 2 -11.540 -0.084 8.886 1.00 0.00 C ATOM 0 HA ALA A 2 -12.409 0.517 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.703 0.610 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.234 -1.064 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.847 -0.166 7.843 1.00 0.00 H new ATOM 11 N ASP A 3 -12.437 2.840 9.583 1.00 0.00 N ATOM 12 CA ASP A 3 -12.793 4.202 9.096 1.00 0.00 C ATOM 13 C ASP A 3 -13.019 4.140 7.586 1.00 0.00 C ATOM 14 O ASP A 3 -12.190 3.637 6.859 1.00 0.00 O ATOM 15 CB ASP A 3 -11.640 5.164 9.396 1.00 0.00 C ATOM 16 CG ASP A 3 -12.155 6.336 10.233 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.382 6.140 11.416 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.314 7.410 9.678 1.00 0.00 O ATOM 0 H ASP A 3 -11.634 2.800 10.211 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.697 4.552 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.847 4.642 9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.207 5.531 8.465 1.00 0.00 H new ATOM 23 N LYS A 4 -14.127 4.638 7.101 1.00 0.00 N ATOM 24 CA LYS A 4 -14.365 4.581 5.632 1.00 0.00 C ATOM 25 C LYS A 4 -13.777 5.823 4.974 1.00 0.00 C ATOM 26 O LYS A 4 -14.265 6.304 3.971 1.00 0.00 O ATOM 27 CB LYS A 4 -15.862 4.496 5.325 1.00 0.00 C ATOM 28 CG LYS A 4 -16.620 5.610 6.049 1.00 0.00 C ATOM 29 CD LYS A 4 -17.765 6.099 5.155 1.00 0.00 C ATOM 30 CE LYS A 4 -18.704 4.934 4.841 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.322 4.326 3.535 1.00 0.00 N ATOM 0 H LYS A 4 -14.866 5.075 7.651 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.881 3.688 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.024 4.576 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.248 3.525 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.013 5.243 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.946 6.434 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.314 6.897 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.365 6.516 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.650 4.186 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.735 5.284 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.163 4.252 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.609 4.923 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.927 3.378 3.696 1.00 0.00 H new ATOM 45 N GLU A 5 -12.729 6.342 5.536 1.00 0.00 N ATOM 46 CA GLU A 5 -12.085 7.548 4.958 1.00 0.00 C ATOM 47 C GLU A 5 -10.592 7.469 5.253 1.00 0.00 C ATOM 48 O GLU A 5 -9.953 8.457 5.552 1.00 0.00 O ATOM 49 CB GLU A 5 -12.670 8.806 5.603 1.00 0.00 C ATOM 50 CG GLU A 5 -14.022 9.131 4.962 1.00 0.00 C ATOM 51 CD GLU A 5 -14.595 10.401 5.593 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.864 11.067 6.308 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.757 10.686 5.352 1.00 0.00 O ATOM 0 H GLU A 5 -12.285 5.979 6.380 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.260 7.593 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.792 8.654 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.985 9.644 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.903 9.268 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.712 8.299 5.103 1.00 0.00 H new ATOM 60 N LEU A 6 -10.032 6.290 5.182 1.00 0.00 N ATOM 61 CA LEU A 6 -8.588 6.144 5.469 1.00 0.00 C ATOM 62 C LEU A 6 -7.791 6.678 4.271 1.00 0.00 C ATOM 63 O LEU A 6 -8.190 6.519 3.137 1.00 0.00 O ATOM 64 CB LEU A 6 -8.288 4.664 5.739 1.00 0.00 C ATOM 65 CG LEU A 6 -6.845 4.477 6.206 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.616 5.213 7.525 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.581 2.984 6.411 1.00 0.00 C ATOM 0 H LEU A 6 -10.517 5.427 4.937 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.300 6.716 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.972 4.282 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.460 4.083 4.833 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.168 4.881 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.584 5.071 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.810 6.277 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.290 4.817 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.554 2.839 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.266 2.593 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.736 2.455 5.471 1.00 0.00 H new ATOM 79 N LYS A 7 -6.693 7.349 4.514 1.00 0.00 N ATOM 80 CA LYS A 7 -5.899 7.932 3.386 1.00 0.00 C ATOM 81 C LYS A 7 -4.995 6.872 2.746 1.00 0.00 C ATOM 82 O LYS A 7 -4.285 6.158 3.429 1.00 0.00 O ATOM 83 CB LYS A 7 -5.029 9.075 3.918 1.00 0.00 C ATOM 84 CG LYS A 7 -5.589 10.419 3.443 1.00 0.00 C ATOM 85 CD LYS A 7 -4.689 11.550 3.946 1.00 0.00 C ATOM 86 CE LYS A 7 -5.484 12.858 3.995 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.949 13.208 2.623 1.00 0.00 N ATOM 0 H LYS A 7 -6.311 7.519 5.444 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.593 8.302 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.002 9.047 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.003 8.955 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.643 10.439 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.605 10.554 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.305 11.309 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.827 11.661 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.338 12.752 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.863 13.659 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.600 14.018 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.130 13.458 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.442 12.393 2.205 1.00 0.00 H new ATOM 101 N PHE A 8 -5.015 6.778 1.434 1.00 0.00 N ATOM 102 CA PHE A 8 -4.164 5.786 0.729 1.00 0.00 C ATOM 103 C PHE A 8 -3.200 6.489 -0.214 1.00 0.00 C ATOM 104 O PHE A 8 -3.525 7.498 -0.801 1.00 0.00 O ATOM 105 CB PHE A 8 -5.037 4.884 -0.145 1.00 0.00 C ATOM 106 CG PHE A 8 -5.937 4.034 0.704 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.030 4.613 1.339 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.674 2.671 0.856 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.869 3.833 2.132 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.513 1.882 1.656 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.613 2.466 2.294 1.00 0.00 C ATOM 0 H PHE A 8 -5.593 7.356 0.824 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.626 5.215 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.636 5.494 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.405 4.248 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.229 5.668 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.826 2.225 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.719 4.284 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.311 0.828 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.264 1.863 2.910 1.00 0.00 H new ATOM 121 N LEU A 9 -2.038 5.927 -0.404 1.00 0.00 N ATOM 122 CA LEU A 9 -1.073 6.519 -1.374 1.00 0.00 C ATOM 123 C LEU A 9 -0.748 5.463 -2.426 1.00 0.00 C ATOM 124 O LEU A 9 -0.134 4.456 -2.134 1.00 0.00 O ATOM 125 CB LEU A 9 0.215 6.947 -0.677 1.00 0.00 C ATOM 126 CG LEU A 9 1.124 7.660 -1.686 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.467 8.955 -2.163 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.436 8.001 -1.010 1.00 0.00 C ATOM 0 H LEU A 9 -1.715 5.084 0.070 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.521 7.402 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.013 7.611 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.724 6.077 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 9 1.293 7.005 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.121 9.453 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.485 8.725 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.296 9.612 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.090 8.508 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.247 8.655 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.916 7.085 -0.665 1.00 0.00 H new ATOM 140 N VAL A 10 -1.166 5.679 -3.643 1.00 0.00 N ATOM 141 CA VAL A 10 -0.895 4.681 -4.713 1.00 0.00 C ATOM 142 C VAL A 10 0.320 5.118 -5.544 1.00 0.00 C ATOM 143 O VAL A 10 0.220 5.943 -6.433 1.00 0.00 O ATOM 144 CB VAL A 10 -2.129 4.554 -5.608 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.340 3.085 -5.973 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.359 5.062 -4.854 1.00 0.00 C ATOM 0 H VAL A 10 -1.684 6.505 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.676 3.714 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.983 5.143 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.219 2.991 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.464 2.713 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.488 2.502 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.239 4.972 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.503 4.469 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.213 6.107 -4.582 1.00 0.00 H new ATOM 156 N VAL A 11 1.468 4.564 -5.254 1.00 0.00 N ATOM 157 CA VAL A 11 2.693 4.921 -6.009 1.00 0.00 C ATOM 158 C VAL A 11 2.890 3.895 -7.127 1.00 0.00 C ATOM 159 O VAL A 11 3.074 2.722 -6.865 1.00 0.00 O ATOM 160 CB VAL A 11 3.902 4.878 -5.062 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.106 5.612 -5.671 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.525 5.532 -3.730 1.00 0.00 C ATOM 0 H VAL A 11 1.605 3.872 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 11 2.598 5.922 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 11 4.180 3.836 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.948 5.566 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.383 5.138 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.843 6.654 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.381 5.503 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.234 6.568 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.692 4.991 -3.282 1.00 0.00 H new ATOM 172 N ASP A 12 2.844 4.300 -8.368 1.00 0.00 N ATOM 173 CA ASP A 12 3.021 3.296 -9.457 1.00 0.00 C ATOM 174 C ASP A 12 2.774 3.917 -10.831 1.00 0.00 C ATOM 175 O ASP A 12 1.990 4.834 -10.979 1.00 0.00 O ATOM 176 CB ASP A 12 2.002 2.166 -9.261 1.00 0.00 C ATOM 177 CG ASP A 12 2.714 0.914 -8.754 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.530 0.384 -9.489 1.00 0.00 O ATOM 179 OD2 ASP A 12 2.431 0.507 -7.639 1.00 0.00 O ATOM 0 H ASP A 12 2.695 5.262 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 12 4.045 2.924 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.236 2.474 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.496 1.952 -10.202 1.00 0.00 H new ATOM 184 N ASP A 13 3.396 3.375 -11.847 1.00 0.00 N ATOM 185 CA ASP A 13 3.151 3.873 -13.227 1.00 0.00 C ATOM 186 C ASP A 13 1.864 3.189 -13.684 1.00 0.00 C ATOM 187 O ASP A 13 1.809 2.536 -14.705 1.00 0.00 O ATOM 188 CB ASP A 13 4.322 3.484 -14.140 1.00 0.00 C ATOM 189 CG ASP A 13 4.491 4.536 -15.237 1.00 0.00 C ATOM 190 OD1 ASP A 13 3.539 4.764 -15.967 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.571 5.097 -15.332 1.00 0.00 O ATOM 0 H ASP A 13 4.064 2.607 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 13 3.062 4.959 -13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.239 3.402 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.139 2.506 -14.585 1.00 0.00 H new ATOM 196 N PHE A 14 0.856 3.315 -12.857 1.00 0.00 N ATOM 197 CA PHE A 14 -0.478 2.677 -13.070 1.00 0.00 C ATOM 198 C PHE A 14 -0.694 2.124 -14.473 1.00 0.00 C ATOM 199 O PHE A 14 -1.179 1.022 -14.632 1.00 0.00 O ATOM 200 CB PHE A 14 -1.592 3.683 -12.736 1.00 0.00 C ATOM 201 CG PHE A 14 -2.006 4.502 -13.949 1.00 0.00 C ATOM 202 CD1 PHE A 14 -1.065 5.266 -14.647 1.00 0.00 C ATOM 203 CD2 PHE A 14 -3.351 4.516 -14.357 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.456 6.033 -15.750 1.00 0.00 C ATOM 205 CE2 PHE A 14 -3.742 5.290 -15.458 1.00 0.00 C ATOM 206 CZ PHE A 14 -2.794 6.048 -16.154 1.00 0.00 C ATOM 0 H PHE A 14 0.910 3.864 -11.999 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.510 1.818 -12.399 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.459 3.148 -12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.251 4.352 -11.947 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.032 5.264 -14.333 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.084 3.930 -13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.723 6.614 -16.290 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.776 5.301 -15.770 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.096 6.644 -17.003 1.00 0.00 H new ATOM 216 N SER A 15 -0.403 2.864 -15.494 1.00 0.00 N ATOM 217 CA SER A 15 -0.673 2.341 -16.850 1.00 0.00 C ATOM 218 C SER A 15 -2.167 1.998 -16.940 1.00 0.00 C ATOM 219 O SER A 15 -2.612 1.520 -17.955 1.00 0.00 O ATOM 220 CB SER A 15 0.160 1.084 -17.091 1.00 0.00 C ATOM 221 OG SER A 15 -0.608 -0.061 -16.744 1.00 0.00 O ATOM 0 H SER A 15 0.005 3.798 -15.451 1.00 0.00 H new ATOM 0 HA SER A 15 -0.410 3.085 -17.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.463 1.030 -18.136 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.072 1.118 -16.496 1.00 0.00 H new ATOM 0 HG SER A 15 -0.715 -0.101 -15.771 1.00 0.00 H new ATOM 227 N THR A 16 -2.908 2.266 -15.857 1.00 0.00 N ATOM 228 CA THR A 16 -4.395 2.005 -15.747 1.00 0.00 C ATOM 229 C THR A 16 -4.702 1.252 -14.448 1.00 0.00 C ATOM 230 O THR A 16 -5.700 0.570 -14.343 1.00 0.00 O ATOM 231 CB THR A 16 -4.945 1.209 -16.922 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.102 0.097 -17.186 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.041 2.141 -18.131 1.00 0.00 C ATOM 0 H THR A 16 -2.512 2.675 -15.011 1.00 0.00 H new ATOM 0 HA THR A 16 -4.882 2.980 -15.750 1.00 0.00 H new ATOM 0 HB THR A 16 -5.938 0.820 -16.695 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.377 0.371 -17.785 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.434 1.589 -18.985 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.707 2.972 -17.898 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.051 2.527 -18.372 1.00 0.00 H new ATOM 241 N MET A 17 -3.875 1.395 -13.444 1.00 0.00 N ATOM 242 CA MET A 17 -4.159 0.714 -12.145 1.00 0.00 C ATOM 243 C MET A 17 -4.946 1.689 -11.272 1.00 0.00 C ATOM 244 O MET A 17 -6.100 1.469 -10.969 1.00 0.00 O ATOM 245 CB MET A 17 -2.856 0.345 -11.435 1.00 0.00 C ATOM 246 CG MET A 17 -3.168 -0.524 -10.220 1.00 0.00 C ATOM 247 SD MET A 17 -3.740 -2.151 -10.768 1.00 0.00 S ATOM 248 CE MET A 17 -2.157 -3.011 -10.599 1.00 0.00 C ATOM 0 H MET A 17 -3.020 1.951 -13.467 1.00 0.00 H new ATOM 0 HA MET A 17 -4.724 -0.201 -12.324 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.196 -0.190 -12.118 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.330 1.248 -11.125 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.279 -0.630 -9.598 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.931 -0.047 -9.605 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.235 -4.006 -11.038 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.380 -2.447 -11.114 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.902 -3.100 -9.543 1.00 0.00 H new ATOM 258 N ARG A 18 -4.311 2.765 -10.874 1.00 0.00 N ATOM 259 CA ARG A 18 -4.975 3.802 -10.030 1.00 0.00 C ATOM 260 C ARG A 18 -6.450 3.915 -10.384 1.00 0.00 C ATOM 261 O ARG A 18 -7.270 4.243 -9.550 1.00 0.00 O ATOM 262 CB ARG A 18 -4.286 5.152 -10.285 1.00 0.00 C ATOM 263 CG ARG A 18 -5.166 6.108 -11.113 1.00 0.00 C ATOM 264 CD ARG A 18 -4.342 7.342 -11.492 1.00 0.00 C ATOM 265 NE ARG A 18 -3.842 7.195 -12.889 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.581 7.583 -13.893 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.857 7.310 -13.908 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.043 8.242 -14.882 1.00 0.00 N ATOM 0 H ARG A 18 -3.339 2.970 -11.105 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.892 3.521 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.043 5.620 -9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.344 4.984 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.526 5.606 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.044 6.404 -10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.952 8.241 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.504 7.458 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.921 6.791 -13.061 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.277 6.793 -13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.434 7.613 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.045 8.454 -14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.620 8.545 -15.667 1.00 0.00 H new ATOM 282 N ARG A 19 -6.800 3.686 -11.619 1.00 0.00 N ATOM 283 CA ARG A 19 -8.224 3.835 -11.985 1.00 0.00 C ATOM 284 C ARG A 19 -9.033 2.646 -11.452 1.00 0.00 C ATOM 285 O ARG A 19 -10.147 2.799 -10.993 1.00 0.00 O ATOM 286 CB ARG A 19 -8.373 3.934 -13.506 1.00 0.00 C ATOM 287 CG ARG A 19 -7.778 2.693 -14.171 1.00 0.00 C ATOM 288 CD ARG A 19 -8.905 1.824 -14.729 1.00 0.00 C ATOM 289 NE ARG A 19 -9.673 2.604 -15.739 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.200 2.001 -16.767 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.447 1.646 -17.772 1.00 0.00 N ATOM 292 NH2 ARG A 19 -11.480 1.751 -16.791 1.00 0.00 N ATOM 0 H ARG A 19 -6.172 3.408 -12.373 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.607 4.751 -11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.426 4.029 -13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.870 4.829 -13.872 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.100 2.987 -14.972 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.191 2.126 -13.448 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.494 0.923 -15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.564 1.502 -13.923 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.787 3.611 -15.626 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.446 1.841 -17.753 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.860 1.174 -18.577 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.068 2.028 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.892 1.279 -17.596 1.00 0.00 H new ATOM 306 N ILE A 20 -8.485 1.463 -11.510 1.00 0.00 N ATOM 307 CA ILE A 20 -9.222 0.271 -11.003 1.00 0.00 C ATOM 308 C ILE A 20 -9.394 0.388 -9.487 1.00 0.00 C ATOM 309 O ILE A 20 -10.487 0.279 -8.966 1.00 0.00 O ATOM 310 CB ILE A 20 -8.420 -0.995 -11.343 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.919 -1.564 -12.674 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.589 -2.054 -10.245 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.942 -2.630 -13.175 1.00 0.00 C ATOM 0 H ILE A 20 -7.557 1.270 -11.887 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.205 0.214 -11.470 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.365 -0.733 -11.417 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.911 -1.997 -12.547 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.011 -0.766 -13.411 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.013 -2.942 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.231 -1.654 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.643 -2.318 -10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.299 -3.034 -14.122 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.958 -2.183 -13.318 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.872 -3.433 -12.441 1.00 0.00 H new ATOM 325 N VAL A 21 -8.323 0.594 -8.771 1.00 0.00 N ATOM 326 CA VAL A 21 -8.430 0.699 -7.289 1.00 0.00 C ATOM 327 C VAL A 21 -9.313 1.889 -6.905 1.00 0.00 C ATOM 328 O VAL A 21 -9.980 1.874 -5.890 1.00 0.00 O ATOM 329 CB VAL A 21 -7.041 0.869 -6.670 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.694 -0.384 -5.865 1.00 0.00 C ATOM 331 CG2 VAL A 21 -6.002 1.064 -7.774 1.00 0.00 C ATOM 0 H VAL A 21 -7.380 0.694 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.881 -0.217 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.040 1.742 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.705 -0.269 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.432 -0.525 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.697 -1.252 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.015 1.185 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.000 0.193 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.249 1.954 -8.353 1.00 0.00 H new ATOM 341 N ARG A 22 -9.329 2.920 -7.706 1.00 0.00 N ATOM 342 CA ARG A 22 -10.176 4.102 -7.376 1.00 0.00 C ATOM 343 C ARG A 22 -11.597 3.636 -7.054 1.00 0.00 C ATOM 344 O ARG A 22 -12.153 3.951 -6.021 1.00 0.00 O ATOM 345 CB ARG A 22 -10.225 5.042 -8.580 1.00 0.00 C ATOM 346 CG ARG A 22 -9.392 6.292 -8.295 1.00 0.00 C ATOM 347 CD ARG A 22 -10.093 7.151 -7.239 1.00 0.00 C ATOM 348 NE ARG A 22 -10.549 8.426 -7.860 1.00 0.00 N ATOM 349 CZ ARG A 22 -11.584 8.430 -8.655 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.473 7.978 -9.874 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.731 8.887 -8.230 1.00 0.00 N ATOM 0 H ARG A 22 -8.794 2.995 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.753 4.621 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.844 4.534 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.257 5.322 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.400 6.007 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.255 6.866 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.944 6.612 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.412 7.359 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.053 9.295 -7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.577 7.621 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.282 7.981 -10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.818 9.241 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.540 8.890 -8.851 1.00 0.00 H new ATOM 365 N ASN A 23 -12.185 2.888 -7.945 1.00 0.00 N ATOM 366 CA ASN A 23 -13.561 2.392 -7.735 1.00 0.00 C ATOM 367 C ASN A 23 -13.563 1.294 -6.682 1.00 0.00 C ATOM 368 O ASN A 23 -14.252 1.366 -5.687 1.00 0.00 O ATOM 369 CB ASN A 23 -14.020 1.793 -9.048 1.00 0.00 C ATOM 370 CG ASN A 23 -15.422 2.295 -9.397 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.643 3.484 -9.514 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.387 1.433 -9.570 1.00 0.00 N ATOM 0 H ASN A 23 -11.757 2.598 -8.824 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.211 3.203 -7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.322 2.060 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.022 0.705 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.325 1.758 -9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.203 0.435 -9.472 1.00 0.00 H new ATOM 379 N LEU A 24 -12.798 0.270 -6.925 1.00 0.00 N ATOM 380 CA LEU A 24 -12.725 -0.880 -5.982 1.00 0.00 C ATOM 381 C LEU A 24 -12.708 -0.369 -4.533 1.00 0.00 C ATOM 382 O LEU A 24 -13.469 -0.823 -3.700 1.00 0.00 O ATOM 383 CB LEU A 24 -11.436 -1.650 -6.298 1.00 0.00 C ATOM 384 CG LEU A 24 -11.497 -3.124 -5.821 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.906 -4.019 -6.911 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.687 -3.346 -4.530 1.00 0.00 C ATOM 0 H LEU A 24 -12.209 0.179 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.592 -1.532 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.256 -1.626 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.592 -1.151 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.541 -3.367 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.943 -5.059 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.483 -3.904 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.870 -3.733 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.757 -4.392 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.643 -3.089 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.087 -2.715 -3.736 1.00 0.00 H new ATOM 398 N LEU A 25 -11.865 0.583 -4.226 1.00 0.00 N ATOM 399 CA LEU A 25 -11.828 1.127 -2.834 1.00 0.00 C ATOM 400 C LEU A 25 -13.170 1.788 -2.527 1.00 0.00 C ATOM 401 O LEU A 25 -13.819 1.475 -1.549 1.00 0.00 O ATOM 402 CB LEU A 25 -10.706 2.163 -2.716 1.00 0.00 C ATOM 403 CG LEU A 25 -9.412 1.470 -2.286 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.211 2.265 -2.802 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.355 1.398 -0.758 1.00 0.00 C ATOM 0 H LEU A 25 -11.203 1.006 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.643 0.319 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.560 2.667 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.979 2.929 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.386 0.462 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.289 1.771 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.250 2.318 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.237 3.273 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.433 0.904 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.381 2.406 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.210 0.832 -0.388 1.00 0.00 H new ATOM 417 N LYS A 26 -13.598 2.697 -3.360 1.00 0.00 N ATOM 418 CA LYS A 26 -14.899 3.370 -3.119 1.00 0.00 C ATOM 419 C LYS A 26 -15.995 2.314 -2.960 1.00 0.00 C ATOM 420 O LYS A 26 -16.979 2.524 -2.280 1.00 0.00 O ATOM 421 CB LYS A 26 -15.232 4.279 -4.305 1.00 0.00 C ATOM 422 CG LYS A 26 -16.438 5.155 -3.958 1.00 0.00 C ATOM 423 CD LYS A 26 -16.939 5.855 -5.223 1.00 0.00 C ATOM 424 CE LYS A 26 -17.652 7.155 -4.843 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.810 6.846 -3.958 1.00 0.00 N ATOM 0 H LYS A 26 -13.100 3.001 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.837 3.969 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.373 4.905 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.449 3.677 -5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.232 4.545 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.160 5.894 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.102 6.068 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.620 5.201 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.960 7.826 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.994 7.671 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.419 7.685 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.356 6.059 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.464 6.578 -3.014 1.00 0.00 H new ATOM 439 N GLU A 27 -15.835 1.177 -3.587 1.00 0.00 N ATOM 440 CA GLU A 27 -16.866 0.114 -3.477 1.00 0.00 C ATOM 441 C GLU A 27 -17.054 -0.266 -2.008 1.00 0.00 C ATOM 442 O GLU A 27 -18.146 -0.568 -1.570 1.00 0.00 O ATOM 443 CB GLU A 27 -16.418 -1.116 -4.270 1.00 0.00 C ATOM 444 CG GLU A 27 -17.648 -1.905 -4.726 1.00 0.00 C ATOM 445 CD GLU A 27 -18.098 -1.402 -6.098 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.266 -0.202 -6.241 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.267 -2.225 -6.982 1.00 0.00 O ATOM 0 H GLU A 27 -15.032 0.943 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.810 0.481 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.828 -0.810 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.777 -1.746 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.413 -2.968 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.455 -1.791 -4.002 1.00 0.00 H new ATOM 454 N LEU A 28 -15.997 -0.256 -1.246 1.00 0.00 N ATOM 455 CA LEU A 28 -16.115 -0.618 0.194 1.00 0.00 C ATOM 456 C LEU A 28 -16.521 0.613 1.001 1.00 0.00 C ATOM 457 O LEU A 28 -17.525 0.619 1.684 1.00 0.00 O ATOM 458 CB LEU A 28 -14.769 -1.138 0.702 1.00 0.00 C ATOM 459 CG LEU A 28 -14.923 -2.587 1.166 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.553 -3.149 1.552 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.852 -2.636 2.381 1.00 0.00 C ATOM 0 H LEU A 28 -15.057 -0.013 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.873 -1.393 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.021 -1.076 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.415 -0.517 1.525 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.346 -3.184 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.663 -4.182 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.889 -3.113 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.130 -2.553 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.963 -3.668 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.427 -2.039 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.829 -2.236 2.109 1.00 0.00 H new ATOM 473 N GLY A 29 -15.742 1.653 0.932 1.00 0.00 N ATOM 474 CA GLY A 29 -16.068 2.878 1.696 1.00 0.00 C ATOM 475 C GLY A 29 -14.795 3.688 1.928 1.00 0.00 C ATOM 476 O GLY A 29 -14.267 3.722 3.013 1.00 0.00 O ATOM 0 H GLY A 29 -14.889 1.704 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.798 3.476 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.522 2.614 2.651 1.00 0.00 H new ATOM 480 N PHE A 30 -14.294 4.344 0.924 1.00 0.00 N ATOM 481 CA PHE A 30 -13.062 5.155 1.119 1.00 0.00 C ATOM 482 C PHE A 30 -13.085 6.340 0.149 1.00 0.00 C ATOM 483 O PHE A 30 -13.476 6.204 -0.994 1.00 0.00 O ATOM 484 CB PHE A 30 -11.820 4.292 0.865 1.00 0.00 C ATOM 485 CG PHE A 30 -11.636 3.319 2.006 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.144 3.767 3.235 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.954 1.969 1.830 1.00 0.00 C ATOM 488 CE1 PHE A 30 -10.968 2.863 4.290 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.779 1.064 2.885 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.286 1.512 4.115 1.00 0.00 C ATOM 0 H PHE A 30 -14.681 4.355 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.025 5.523 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.928 3.750 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.938 4.926 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.900 4.810 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.335 1.624 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.587 3.209 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.025 0.021 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.151 0.815 4.929 1.00 0.00 H new ATOM 500 N ASN A 31 -12.681 7.502 0.591 1.00 0.00 N ATOM 501 CA ASN A 31 -12.696 8.687 -0.317 1.00 0.00 C ATOM 502 C ASN A 31 -11.526 9.618 0.020 1.00 0.00 C ATOM 503 O ASN A 31 -11.717 10.744 0.433 1.00 0.00 O ATOM 504 CB ASN A 31 -14.015 9.445 -0.141 1.00 0.00 C ATOM 505 CG ASN A 31 -14.270 10.316 -1.372 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.445 10.392 -2.260 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.390 10.982 -1.465 1.00 0.00 N ATOM 0 H ASN A 31 -12.343 7.682 1.536 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.600 8.349 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.836 8.741 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.974 10.065 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.570 11.565 -2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.084 10.919 -0.720 1.00 0.00 H new ATOM 514 N ASN A 32 -10.319 9.157 -0.161 1.00 0.00 N ATOM 515 CA ASN A 32 -9.135 10.011 0.142 1.00 0.00 C ATOM 516 C ASN A 32 -7.869 9.280 -0.310 1.00 0.00 C ATOM 517 O ASN A 32 -7.346 8.436 0.391 1.00 0.00 O ATOM 518 CB ASN A 32 -9.064 10.278 1.649 1.00 0.00 C ATOM 519 CG ASN A 32 -8.327 11.593 1.901 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.422 11.944 1.171 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.678 12.341 2.912 1.00 0.00 N ATOM 0 H ASN A 32 -10.101 8.223 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.221 10.962 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.069 10.326 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.549 9.459 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.192 13.220 3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.438 12.046 3.525 1.00 0.00 H new ATOM 528 N VAL A 33 -7.380 9.578 -1.483 1.00 0.00 N ATOM 529 CA VAL A 33 -6.160 8.876 -1.973 1.00 0.00 C ATOM 530 C VAL A 33 -5.356 9.790 -2.901 1.00 0.00 C ATOM 531 O VAL A 33 -5.913 10.598 -3.617 1.00 0.00 O ATOM 532 CB VAL A 33 -6.588 7.633 -2.752 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.674 8.017 -3.757 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.387 7.058 -3.503 1.00 0.00 C ATOM 0 H VAL A 33 -7.770 10.273 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.539 8.600 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.974 6.886 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.982 7.133 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.532 8.428 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.283 8.764 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.695 6.172 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.001 7.804 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.608 6.787 -2.790 1.00 0.00 H new ATOM 544 N GLU A 34 -4.048 9.645 -2.916 1.00 0.00 N ATOM 545 CA GLU A 34 -3.205 10.479 -3.821 1.00 0.00 C ATOM 546 C GLU A 34 -2.400 9.548 -4.720 1.00 0.00 C ATOM 547 O GLU A 34 -2.682 8.372 -4.812 1.00 0.00 O ATOM 548 CB GLU A 34 -2.267 11.362 -3.006 1.00 0.00 C ATOM 549 CG GLU A 34 -3.093 12.267 -2.087 1.00 0.00 C ATOM 550 CD GLU A 34 -2.328 13.567 -1.827 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.928 14.199 -2.791 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.156 13.908 -0.669 1.00 0.00 O ATOM 0 H GLU A 34 -3.533 8.982 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.839 11.127 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.590 10.745 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.649 11.966 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.057 12.486 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.296 11.758 -1.145 1.00 0.00 H new ATOM 559 N GLU A 35 -1.414 10.055 -5.396 1.00 0.00 N ATOM 560 CA GLU A 35 -0.624 9.180 -6.306 1.00 0.00 C ATOM 561 C GLU A 35 0.815 9.680 -6.414 1.00 0.00 C ATOM 562 O GLU A 35 1.113 10.834 -6.170 1.00 0.00 O ATOM 563 CB GLU A 35 -1.252 9.200 -7.707 1.00 0.00 C ATOM 564 CG GLU A 35 -2.613 8.491 -7.702 1.00 0.00 C ATOM 565 CD GLU A 35 -3.703 9.462 -7.245 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.701 10.589 -7.714 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.521 9.064 -6.431 1.00 0.00 O ATOM 0 H GLU A 35 -1.119 11.031 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.627 8.168 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.374 10.230 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.585 8.712 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.842 8.117 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.581 7.628 -7.038 1.00 0.00 H new ATOM 574 N ALA A 36 1.703 8.812 -6.805 1.00 0.00 N ATOM 575 CA ALA A 36 3.129 9.203 -6.968 1.00 0.00 C ATOM 576 C ALA A 36 3.732 8.330 -8.068 1.00 0.00 C ATOM 577 O ALA A 36 3.014 7.689 -8.810 1.00 0.00 O ATOM 578 CB ALA A 36 3.874 9.000 -5.651 1.00 0.00 C ATOM 0 H ALA A 36 1.499 7.836 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 36 3.212 10.255 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.918 9.288 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.418 9.616 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.819 7.951 -5.360 1.00 0.00 H new ATOM 584 N GLU A 37 5.029 8.308 -8.204 1.00 0.00 N ATOM 585 CA GLU A 37 5.630 7.477 -9.288 1.00 0.00 C ATOM 586 C GLU A 37 6.977 6.884 -8.864 1.00 0.00 C ATOM 587 O GLU A 37 7.709 6.380 -9.692 1.00 0.00 O ATOM 588 CB GLU A 37 5.834 8.347 -10.529 1.00 0.00 C ATOM 589 CG GLU A 37 6.629 9.598 -10.152 1.00 0.00 C ATOM 590 CD GLU A 37 6.755 10.514 -11.371 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.873 9.995 -12.469 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.732 11.720 -11.186 1.00 0.00 O ATOM 0 H GLU A 37 5.691 8.821 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 37 4.949 6.653 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.364 7.784 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.869 8.630 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.132 10.126 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.619 9.317 -9.792 1.00 0.00 H new ATOM 599 N ASP A 38 7.321 6.916 -7.603 1.00 0.00 N ATOM 600 CA ASP A 38 8.630 6.327 -7.200 1.00 0.00 C ATOM 601 C ASP A 38 8.809 6.449 -5.691 1.00 0.00 C ATOM 602 O ASP A 38 8.296 7.354 -5.065 1.00 0.00 O ATOM 603 CB ASP A 38 9.766 7.068 -7.910 1.00 0.00 C ATOM 604 CG ASP A 38 11.069 6.873 -7.134 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.328 5.754 -6.722 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.787 7.844 -6.968 1.00 0.00 O ATOM 0 H ASP A 38 6.764 7.316 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 38 8.650 5.274 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.878 6.694 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.531 8.130 -7.985 1.00 0.00 H new ATOM 611 N GLY A 39 9.540 5.544 -5.102 1.00 0.00 N ATOM 612 CA GLY A 39 9.762 5.607 -3.634 1.00 0.00 C ATOM 613 C GLY A 39 10.153 7.030 -3.249 1.00 0.00 C ATOM 614 O GLY A 39 9.555 7.638 -2.384 1.00 0.00 O ATOM 0 H GLY A 39 9.993 4.763 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.857 5.309 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.547 4.909 -3.342 1.00 0.00 H new ATOM 618 N VAL A 40 11.149 7.572 -3.891 1.00 0.00 N ATOM 619 CA VAL A 40 11.564 8.959 -3.566 1.00 0.00 C ATOM 620 C VAL A 40 10.352 9.877 -3.714 1.00 0.00 C ATOM 621 O VAL A 40 10.211 10.861 -3.010 1.00 0.00 O ATOM 622 CB VAL A 40 12.673 9.405 -4.523 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.352 10.660 -3.971 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.711 8.287 -4.658 1.00 0.00 C ATOM 0 H VAL A 40 11.691 7.114 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 40 11.943 9.005 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 40 12.241 9.624 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.141 10.977 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.616 11.458 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.783 10.441 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.501 8.604 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.141 8.070 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.231 7.391 -5.051 1.00 0.00 H new ATOM 634 N ASP A 41 9.461 9.557 -4.616 1.00 0.00 N ATOM 635 CA ASP A 41 8.259 10.402 -4.796 1.00 0.00 C ATOM 636 C ASP A 41 7.333 10.203 -3.603 1.00 0.00 C ATOM 637 O ASP A 41 6.812 11.146 -3.047 1.00 0.00 O ATOM 638 CB ASP A 41 7.541 9.984 -6.073 1.00 0.00 C ATOM 639 CG ASP A 41 6.678 11.144 -6.573 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.831 11.594 -5.820 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.883 11.565 -7.700 1.00 0.00 O ATOM 0 H ASP A 41 9.520 8.746 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 41 8.546 11.451 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.267 9.701 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.919 9.109 -5.884 1.00 0.00 H new ATOM 646 N ALA A 42 7.128 8.979 -3.201 1.00 0.00 N ATOM 647 CA ALA A 42 6.238 8.715 -2.040 1.00 0.00 C ATOM 648 C ALA A 42 6.772 9.452 -0.814 1.00 0.00 C ATOM 649 O ALA A 42 6.093 10.260 -0.215 1.00 0.00 O ATOM 650 CB ALA A 42 6.213 7.214 -1.754 1.00 0.00 C ATOM 0 H ALA A 42 7.540 8.150 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 42 5.230 9.063 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.561 7.017 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.838 6.683 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.222 6.870 -1.526 1.00 0.00 H new ATOM 656 N LEU A 43 7.985 9.172 -0.434 1.00 0.00 N ATOM 657 CA LEU A 43 8.574 9.841 0.758 1.00 0.00 C ATOM 658 C LEU A 43 8.306 11.347 0.700 1.00 0.00 C ATOM 659 O LEU A 43 7.978 11.964 1.694 1.00 0.00 O ATOM 660 CB LEU A 43 10.088 9.594 0.773 1.00 0.00 C ATOM 661 CG LEU A 43 10.610 9.516 2.216 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.193 10.769 2.991 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.047 8.273 2.915 1.00 0.00 C ATOM 0 H LEU A 43 8.598 8.504 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 43 8.120 9.434 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.316 8.666 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.598 10.396 0.239 1.00 0.00 H new ATOM 0 HG LEU A 43 11.698 9.451 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.567 10.706 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.609 11.652 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.106 10.842 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.424 8.228 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.958 8.327 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.358 7.379 2.374 1.00 0.00 H new ATOM 675 N ASN A 44 8.457 11.951 -0.447 1.00 0.00 N ATOM 676 CA ASN A 44 8.226 13.421 -0.544 1.00 0.00 C ATOM 677 C ASN A 44 6.723 13.726 -0.599 1.00 0.00 C ATOM 678 O ASN A 44 6.277 14.754 -0.131 1.00 0.00 O ATOM 679 CB ASN A 44 8.900 13.959 -1.808 1.00 0.00 C ATOM 680 CG ASN A 44 10.340 14.368 -1.486 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.592 15.492 -1.099 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.301 13.498 -1.631 1.00 0.00 N ATOM 0 H ASN A 44 8.729 11.493 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 44 8.651 13.902 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.893 13.198 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.345 14.815 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.263 13.761 -1.420 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.090 12.554 -1.956 1.00 0.00 H new ATOM 689 N LYS A 45 5.943 12.857 -1.179 1.00 0.00 N ATOM 690 CA LYS A 45 4.476 13.122 -1.270 1.00 0.00 C ATOM 691 C LYS A 45 3.745 12.556 -0.049 1.00 0.00 C ATOM 692 O LYS A 45 2.563 12.777 0.121 1.00 0.00 O ATOM 693 CB LYS A 45 3.908 12.473 -2.536 1.00 0.00 C ATOM 694 CG LYS A 45 3.821 13.508 -3.661 1.00 0.00 C ATOM 695 CD LYS A 45 2.521 14.305 -3.524 1.00 0.00 C ATOM 696 CE LYS A 45 2.666 15.656 -4.225 1.00 0.00 C ATOM 697 NZ LYS A 45 3.069 16.691 -3.231 1.00 0.00 N ATOM 0 H LYS A 45 6.254 11.978 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 45 4.327 14.201 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.542 11.641 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.919 12.062 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.678 14.180 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.854 13.011 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.693 13.746 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.285 14.455 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.411 15.588 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.724 15.936 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.168 17.610 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.343 16.762 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.978 16.424 -2.801 1.00 0.00 H new ATOM 711 N LEU A 46 4.414 11.827 0.804 1.00 0.00 N ATOM 712 CA LEU A 46 3.702 11.271 1.992 1.00 0.00 C ATOM 713 C LEU A 46 3.529 12.382 3.031 1.00 0.00 C ATOM 714 O LEU A 46 2.740 12.271 3.947 1.00 0.00 O ATOM 715 CB LEU A 46 4.508 10.110 2.613 1.00 0.00 C ATOM 716 CG LEU A 46 3.648 8.827 2.756 1.00 0.00 C ATOM 717 CD1 LEU A 46 4.029 7.799 1.690 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.892 8.212 4.130 1.00 0.00 C ATOM 0 H LEU A 46 5.405 11.595 0.733 1.00 0.00 H new ATOM 0 HA LEU A 46 2.729 10.891 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.378 9.898 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.881 10.409 3.592 1.00 0.00 H new ATOM 0 HG LEU A 46 2.599 9.097 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.414 6.907 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.865 8.224 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.080 7.532 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.290 7.310 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.947 7.959 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.613 8.928 4.904 1.00 0.00 H new ATOM 730 N GLN A 47 4.260 13.452 2.892 1.00 0.00 N ATOM 731 CA GLN A 47 4.136 14.571 3.866 1.00 0.00 C ATOM 732 C GLN A 47 2.887 15.387 3.539 1.00 0.00 C ATOM 733 O GLN A 47 2.574 16.356 4.204 1.00 0.00 O ATOM 734 CB GLN A 47 5.371 15.469 3.772 1.00 0.00 C ATOM 735 CG GLN A 47 6.541 14.802 4.496 1.00 0.00 C ATOM 736 CD GLN A 47 6.600 15.300 5.941 1.00 0.00 C ATOM 737 OE1 GLN A 47 5.624 15.803 6.462 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.710 15.180 6.615 1.00 0.00 N ATOM 0 H GLN A 47 4.939 13.600 2.145 1.00 0.00 H new ATOM 0 HA GLN A 47 4.057 14.169 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.628 15.644 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.161 16.442 4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.423 13.719 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.476 15.029 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.529 14.758 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.759 15.508 7.579 1.00 0.00 H new ATOM 747 N ALA A 48 2.173 15.004 2.515 1.00 0.00 N ATOM 748 CA ALA A 48 0.945 15.751 2.133 1.00 0.00 C ATOM 749 C ALA A 48 0.115 16.049 3.384 1.00 0.00 C ATOM 750 O ALA A 48 -0.124 17.192 3.723 1.00 0.00 O ATOM 751 CB ALA A 48 0.116 14.909 1.162 1.00 0.00 C ATOM 0 H ALA A 48 2.391 14.201 1.925 1.00 0.00 H new ATOM 0 HA ALA A 48 1.227 16.688 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.784 15.457 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.705 14.698 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.164 13.971 1.642 1.00 0.00 H new ATOM 757 N GLY A 49 -0.326 15.032 4.074 1.00 0.00 N ATOM 758 CA GLY A 49 -1.138 15.269 5.302 1.00 0.00 C ATOM 759 C GLY A 49 -1.027 14.061 6.235 1.00 0.00 C ATOM 760 O GLY A 49 -1.814 13.898 7.146 1.00 0.00 O ATOM 0 H GLY A 49 -0.160 14.053 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.790 16.168 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.181 15.438 5.033 1.00 0.00 H new ATOM 764 N GLY A 50 -0.062 13.212 6.013 1.00 0.00 N ATOM 765 CA GLY A 50 0.088 12.015 6.888 1.00 0.00 C ATOM 766 C GLY A 50 -0.825 10.905 6.374 1.00 0.00 C ATOM 767 O GLY A 50 -2.023 10.930 6.577 1.00 0.00 O ATOM 0 H GLY A 50 0.627 13.295 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.125 11.678 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.168 12.267 7.917 1.00 0.00 H new ATOM 771 N TYR A 51 -0.274 9.935 5.700 1.00 0.00 N ATOM 772 CA TYR A 51 -1.112 8.834 5.162 1.00 0.00 C ATOM 773 C TYR A 51 -1.307 7.756 6.219 1.00 0.00 C ATOM 774 O TYR A 51 -0.408 7.435 6.969 1.00 0.00 O ATOM 775 CB TYR A 51 -0.418 8.218 3.950 1.00 0.00 C ATOM 776 CG TYR A 51 -0.581 9.139 2.775 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.215 10.282 2.685 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.533 8.863 1.789 1.00 0.00 C ATOM 779 CE1 TYR A 51 0.065 11.154 1.606 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.686 9.739 0.706 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.884 10.886 0.617 1.00 0.00 C ATOM 782 OH TYR A 51 -1.032 11.756 -0.440 1.00 0.00 O ATOM 0 H TYR A 51 0.723 9.859 5.499 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.083 9.237 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.640 8.060 4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.847 7.242 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.947 10.492 3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.148 7.978 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.683 12.037 1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.420 9.531 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.021 12.678 -0.109 1.00 0.00 H new ATOM 792 N GLY A 52 -2.474 7.180 6.262 1.00 0.00 N ATOM 793 CA GLY A 52 -2.737 6.098 7.243 1.00 0.00 C ATOM 794 C GLY A 52 -2.591 4.761 6.518 1.00 0.00 C ATOM 795 O GLY A 52 -2.637 3.701 7.112 1.00 0.00 O ATOM 0 H GLY A 52 -3.260 7.415 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.036 6.159 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.738 6.198 7.662 1.00 0.00 H new ATOM 799 N PHE A 53 -2.431 4.817 5.222 1.00 0.00 N ATOM 800 CA PHE A 53 -2.297 3.577 4.412 1.00 0.00 C ATOM 801 C PHE A 53 -1.476 3.913 3.157 1.00 0.00 C ATOM 802 O PHE A 53 -1.677 4.943 2.542 1.00 0.00 O ATOM 803 CB PHE A 53 -3.704 3.143 4.007 1.00 0.00 C ATOM 804 CG PHE A 53 -3.933 1.667 4.257 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.025 1.163 5.560 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.099 0.805 3.172 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.282 -0.196 5.762 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.352 -0.544 3.372 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.447 -1.053 4.665 1.00 0.00 C ATOM 0 H PHE A 53 -2.387 5.683 4.686 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.802 2.781 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.438 3.724 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.861 3.361 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.898 1.822 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.030 1.192 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.354 -0.587 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.476 -1.201 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.647 -2.103 4.822 1.00 0.00 H new ATOM 819 N VAL A 54 -0.548 3.076 2.770 1.00 0.00 N ATOM 820 CA VAL A 54 0.265 3.395 1.550 1.00 0.00 C ATOM 821 C VAL A 54 0.317 2.190 0.612 1.00 0.00 C ATOM 822 O VAL A 54 0.846 1.148 0.941 1.00 0.00 O ATOM 823 CB VAL A 54 1.685 3.797 1.956 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.558 3.927 0.705 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.637 5.149 2.675 1.00 0.00 C ATOM 0 H VAL A 54 -0.318 2.198 3.235 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.208 4.226 1.027 1.00 0.00 H new ATOM 0 HB VAL A 54 2.104 3.038 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.569 4.213 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.588 2.972 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.140 4.689 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.645 5.442 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.220 5.902 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.011 5.066 3.564 1.00 0.00 H new ATOM 835 N ILE A 55 -0.225 2.344 -0.567 1.00 0.00 N ATOM 836 CA ILE A 55 -0.210 1.233 -1.557 1.00 0.00 C ATOM 837 C ILE A 55 0.950 1.455 -2.527 1.00 0.00 C ATOM 838 O ILE A 55 0.977 2.422 -3.261 1.00 0.00 O ATOM 839 CB ILE A 55 -1.525 1.227 -2.341 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.610 0.519 -1.528 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.324 0.486 -3.665 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.984 0.863 -2.106 1.00 0.00 C ATOM 0 H ILE A 55 -0.680 3.199 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.092 0.280 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.831 2.255 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.453 -0.559 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.556 0.826 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.259 0.481 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.554 0.989 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.015 -0.540 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.759 0.359 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.139 1.941 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.035 0.534 -3.144 1.00 0.00 H new ATOM 854 N SER A 56 1.908 0.572 -2.536 1.00 0.00 N ATOM 855 CA SER A 56 3.066 0.732 -3.460 1.00 0.00 C ATOM 856 C SER A 56 3.451 -0.636 -4.015 1.00 0.00 C ATOM 857 O SER A 56 3.531 -1.606 -3.292 1.00 0.00 O ATOM 858 CB SER A 56 4.251 1.328 -2.698 1.00 0.00 C ATOM 859 OG SER A 56 5.248 0.330 -2.527 1.00 0.00 O ATOM 0 H SER A 56 1.940 -0.256 -1.942 1.00 0.00 H new ATOM 0 HA SER A 56 2.795 1.399 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.660 2.177 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.924 1.702 -1.728 1.00 0.00 H new ATOM 0 HG SER A 56 4.858 -0.449 -2.078 1.00 0.00 H new ATOM 865 N ASP A 57 3.685 -0.727 -5.294 1.00 0.00 N ATOM 866 CA ASP A 57 4.056 -2.043 -5.878 1.00 0.00 C ATOM 867 C ASP A 57 5.458 -2.433 -5.407 1.00 0.00 C ATOM 868 O ASP A 57 6.085 -1.731 -4.638 1.00 0.00 O ATOM 869 CB ASP A 57 4.047 -1.956 -7.405 1.00 0.00 C ATOM 870 CG ASP A 57 2.671 -2.367 -7.934 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.183 -3.404 -7.514 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.130 -1.641 -8.752 1.00 0.00 O ATOM 0 H ASP A 57 3.636 0.048 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 57 3.334 -2.793 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.282 -0.940 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.817 -2.606 -7.821 1.00 0.00 H new ATOM 877 N TRP A 58 5.953 -3.544 -5.870 1.00 0.00 N ATOM 878 CA TRP A 58 7.316 -3.989 -5.465 1.00 0.00 C ATOM 879 C TRP A 58 8.350 -3.021 -6.047 1.00 0.00 C ATOM 880 O TRP A 58 8.116 -1.831 -6.132 1.00 0.00 O ATOM 881 CB TRP A 58 7.545 -5.402 -6.011 1.00 0.00 C ATOM 882 CG TRP A 58 8.677 -6.071 -5.292 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.828 -6.481 -5.873 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.779 -6.434 -3.883 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.629 -7.072 -4.914 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.028 -7.066 -3.671 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.920 -6.276 -2.780 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.409 -7.529 -2.410 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.304 -6.740 -1.509 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.545 -7.365 -1.326 1.00 0.00 C ATOM 0 H TRP A 58 5.470 -4.168 -6.516 1.00 0.00 H new ATOM 0 HA TRP A 58 7.413 -3.998 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.636 -5.993 -5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.763 -5.354 -7.078 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.080 -6.365 -6.917 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.552 -7.465 -5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.961 -5.796 -2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.366 -8.011 -2.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.638 -6.614 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.833 -7.719 -0.347 1.00 0.00 H new ATOM 901 N ASN A 59 9.490 -3.512 -6.449 1.00 0.00 N ATOM 902 CA ASN A 59 10.529 -2.606 -7.021 1.00 0.00 C ATOM 903 C ASN A 59 10.364 -2.530 -8.541 1.00 0.00 C ATOM 904 O ASN A 59 9.687 -3.341 -9.141 1.00 0.00 O ATOM 905 CB ASN A 59 11.921 -3.148 -6.688 1.00 0.00 C ATOM 906 CG ASN A 59 12.984 -2.240 -7.311 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.311 -2.405 -8.562 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.521 -1.373 -6.651 1.00 0.00 N flip ATOM 0 H ASN A 59 9.748 -4.498 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 59 10.414 -1.610 -6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.056 -3.195 -5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.028 -4.164 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.264 -1.245 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.228 -0.773 -7.076 1.00 0.00 H new ATOM 915 N MET A 60 10.984 -1.565 -9.169 1.00 0.00 N ATOM 916 CA MET A 60 10.872 -1.442 -10.651 1.00 0.00 C ATOM 917 C MET A 60 11.665 -0.221 -11.159 1.00 0.00 C ATOM 918 O MET A 60 12.449 -0.362 -12.078 1.00 0.00 O ATOM 919 CB MET A 60 9.401 -1.320 -11.072 1.00 0.00 C ATOM 920 CG MET A 60 9.017 -2.513 -11.952 1.00 0.00 C ATOM 921 SD MET A 60 7.239 -2.460 -12.291 1.00 0.00 S ATOM 922 CE MET A 60 7.329 -2.895 -14.046 1.00 0.00 C ATOM 0 H MET A 60 11.563 -0.857 -8.718 1.00 0.00 H new ATOM 0 HA MET A 60 11.293 -2.343 -11.097 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.762 -1.285 -10.190 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.244 -0.389 -11.616 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.578 -2.486 -12.886 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.276 -3.446 -11.452 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.324 -2.921 -14.466 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.925 -2.151 -14.575 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.793 -3.875 -14.155 1.00 0.00 H new ATOM 932 N PRO A 61 11.456 0.948 -10.576 1.00 0.00 N ATOM 933 CA PRO A 61 12.177 2.156 -11.025 1.00 0.00 C ATOM 934 C PRO A 61 13.681 1.999 -10.761 1.00 0.00 C ATOM 935 O PRO A 61 14.451 1.725 -11.660 1.00 0.00 O ATOM 936 CB PRO A 61 11.590 3.306 -10.190 1.00 0.00 C ATOM 937 CG PRO A 61 10.521 2.703 -9.248 1.00 0.00 C ATOM 938 CD PRO A 61 10.514 1.181 -9.456 1.00 0.00 C ATOM 0 HA PRO A 61 12.062 2.337 -12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.373 3.799 -9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.147 4.062 -10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.747 2.945 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.539 3.123 -9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.833 0.657 -8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.515 0.819 -9.698 1.00 0.00 H new ATOM 946 N ASN A 62 14.100 2.168 -9.536 1.00 0.00 N ATOM 947 CA ASN A 62 15.548 2.030 -9.206 1.00 0.00 C ATOM 948 C ASN A 62 15.722 2.134 -7.691 1.00 0.00 C ATOM 949 O ASN A 62 15.558 3.189 -7.110 1.00 0.00 O ATOM 950 CB ASN A 62 16.343 3.149 -9.885 1.00 0.00 C ATOM 951 CG ASN A 62 15.826 4.506 -9.404 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.615 4.877 -9.717 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.531 5.236 -8.737 1.00 0.00 N flip ATOM 0 H ASN A 62 13.498 2.397 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 62 15.914 1.066 -9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.403 3.049 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.245 3.074 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.478 4.946 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.176 6.139 -8.422 1.00 0.00 H new ATOM 960 N MET A 63 16.043 1.049 -7.041 1.00 0.00 N ATOM 961 CA MET A 63 16.213 1.099 -5.562 1.00 0.00 C ATOM 962 C MET A 63 15.006 1.809 -4.949 1.00 0.00 C ATOM 963 O MET A 63 15.021 3.004 -4.732 1.00 0.00 O ATOM 964 CB MET A 63 17.489 1.869 -5.218 1.00 0.00 C ATOM 965 CG MET A 63 17.750 1.777 -3.713 1.00 0.00 C ATOM 966 SD MET A 63 19.302 0.891 -3.424 1.00 0.00 S ATOM 967 CE MET A 63 20.303 2.331 -2.977 1.00 0.00 C ATOM 0 H MET A 63 16.194 0.135 -7.468 1.00 0.00 H new ATOM 0 HA MET A 63 16.288 0.087 -5.164 1.00 0.00 H new ATOM 0 HB2 MET A 63 18.334 1.458 -5.770 1.00 0.00 H new ATOM 0 HB3 MET A 63 17.389 2.912 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.803 2.776 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.926 1.260 -3.221 1.00 0.00 H new ATOM 0 HE1 MET A 63 21.277 2.000 -2.618 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.436 2.967 -3.852 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.799 2.895 -2.192 1.00 0.00 H new ATOM 977 N ASP A 64 13.957 1.084 -4.673 1.00 0.00 N ATOM 978 CA ASP A 64 12.745 1.718 -4.083 1.00 0.00 C ATOM 979 C ASP A 64 11.842 0.634 -3.489 1.00 0.00 C ATOM 980 O ASP A 64 12.246 -0.499 -3.326 1.00 0.00 O ATOM 981 CB ASP A 64 11.989 2.480 -5.175 1.00 0.00 C ATOM 982 CG ASP A 64 12.630 3.855 -5.375 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.652 4.620 -4.426 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.089 4.119 -6.475 1.00 0.00 O ATOM 0 H ASP A 64 13.887 0.079 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 64 13.040 2.412 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.012 1.917 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.941 2.592 -4.896 1.00 0.00 H new ATOM 989 N GLY A 65 10.625 0.977 -3.157 1.00 0.00 N ATOM 990 CA GLY A 65 9.692 -0.023 -2.559 1.00 0.00 C ATOM 991 C GLY A 65 10.291 -0.592 -1.265 1.00 0.00 C ATOM 992 O GLY A 65 9.888 -0.230 -0.179 1.00 0.00 O ATOM 0 H GLY A 65 10.235 1.912 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.730 0.445 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.506 -0.829 -3.269 1.00 0.00 H new ATOM 996 N LEU A 66 11.247 -1.480 -1.365 1.00 0.00 N ATOM 997 CA LEU A 66 11.859 -2.057 -0.130 1.00 0.00 C ATOM 998 C LEU A 66 12.460 -0.925 0.715 1.00 0.00 C ATOM 999 O LEU A 66 11.947 -0.582 1.760 1.00 0.00 O ATOM 1000 CB LEU A 66 12.958 -3.055 -0.520 1.00 0.00 C ATOM 1001 CG LEU A 66 12.780 -4.371 0.251 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.735 -4.091 1.755 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.478 -5.052 -0.181 1.00 0.00 C ATOM 0 H LEU A 66 11.629 -1.829 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 66 11.095 -2.575 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.921 -3.246 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.938 -2.629 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 66 13.622 -5.028 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.609 -5.029 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.666 -3.616 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.898 -3.428 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.356 -5.985 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.635 -4.394 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.515 -5.262 -1.250 1.00 0.00 H new ATOM 1015 N GLU A 67 13.541 -0.338 0.272 1.00 0.00 N ATOM 1016 CA GLU A 67 14.162 0.773 1.053 1.00 0.00 C ATOM 1017 C GLU A 67 13.094 1.832 1.342 1.00 0.00 C ATOM 1018 O GLU A 67 13.032 2.403 2.412 1.00 0.00 O ATOM 1019 CB GLU A 67 15.294 1.395 0.231 1.00 0.00 C ATOM 1020 CG GLU A 67 16.643 0.954 0.803 1.00 0.00 C ATOM 1021 CD GLU A 67 17.752 1.270 -0.202 1.00 0.00 C ATOM 1022 OE1 GLU A 67 18.017 2.440 -0.415 1.00 0.00 O ATOM 1023 OE2 GLU A 67 18.319 0.333 -0.743 1.00 0.00 O ATOM 0 H GLU A 67 14.020 -0.579 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 67 14.565 0.392 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.211 1.088 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.217 2.482 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.835 1.466 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.627 -0.114 1.019 1.00 0.00 H new ATOM 1030 N LEU A 68 12.245 2.075 0.387 1.00 0.00 N ATOM 1031 CA LEU A 68 11.150 3.069 0.558 1.00 0.00 C ATOM 1032 C LEU A 68 10.360 2.703 1.811 1.00 0.00 C ATOM 1033 O LEU A 68 10.068 3.530 2.649 1.00 0.00 O ATOM 1034 CB LEU A 68 10.280 2.977 -0.708 1.00 0.00 C ATOM 1035 CG LEU A 68 8.783 3.199 -0.450 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.553 4.631 0.006 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.017 2.963 -1.760 1.00 0.00 C ATOM 0 H LEU A 68 12.263 1.617 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 68 11.516 4.088 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.628 3.715 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.419 1.996 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 68 8.436 2.511 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.490 4.788 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.110 4.814 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.893 5.319 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.951 3.117 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.369 3.662 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.186 1.942 -2.101 1.00 0.00 H new ATOM 1049 N LEU A 69 10.023 1.454 1.930 1.00 0.00 N ATOM 1050 CA LEU A 69 9.254 0.970 3.108 1.00 0.00 C ATOM 1051 C LEU A 69 10.114 1.113 4.370 1.00 0.00 C ATOM 1052 O LEU A 69 9.767 1.826 5.292 1.00 0.00 O ATOM 1053 CB LEU A 69 8.917 -0.505 2.857 1.00 0.00 C ATOM 1054 CG LEU A 69 8.204 -1.140 4.065 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.789 -0.584 4.203 1.00 0.00 C ATOM 1056 CD2 LEU A 69 8.099 -2.653 3.862 1.00 0.00 C ATOM 0 H LEU A 69 10.252 0.732 1.247 1.00 0.00 H new ATOM 0 HA LEU A 69 8.341 1.548 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.282 -0.588 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.833 -1.056 2.644 1.00 0.00 H new ATOM 0 HG LEU A 69 8.781 -0.910 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.300 -1.044 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.835 0.496 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.221 -0.806 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.594 -3.101 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.530 -2.860 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.098 -3.078 3.767 1.00 0.00 H new ATOM 1068 N LYS A 70 11.224 0.427 4.414 1.00 0.00 N ATOM 1069 CA LYS A 70 12.117 0.500 5.609 1.00 0.00 C ATOM 1070 C LYS A 70 12.221 1.947 6.097 1.00 0.00 C ATOM 1071 O LYS A 70 12.115 2.222 7.275 1.00 0.00 O ATOM 1072 CB LYS A 70 13.510 -0.010 5.233 1.00 0.00 C ATOM 1073 CG LYS A 70 14.277 -0.379 6.504 1.00 0.00 C ATOM 1074 CD LYS A 70 15.781 -0.330 6.225 1.00 0.00 C ATOM 1075 CE LYS A 70 16.506 -1.299 7.161 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.222 -0.927 8.575 1.00 0.00 N ATOM 0 H LYS A 70 11.554 -0.186 3.668 1.00 0.00 H new ATOM 0 HA LYS A 70 11.700 -0.117 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.427 -0.879 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.052 0.756 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.023 0.311 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.991 -1.376 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.978 -0.595 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.156 0.683 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.178 -2.321 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.579 -1.268 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.876 -1.433 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.348 0.098 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.243 -1.186 8.812 1.00 0.00 H new ATOM 1090 N THR A 71 12.426 2.877 5.204 1.00 0.00 N ATOM 1091 CA THR A 71 12.530 4.301 5.631 1.00 0.00 C ATOM 1092 C THR A 71 11.298 4.668 6.460 1.00 0.00 C ATOM 1093 O THR A 71 11.396 5.300 7.493 1.00 0.00 O ATOM 1094 CB THR A 71 12.601 5.202 4.398 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.176 4.474 3.255 1.00 0.00 O ATOM 1096 CG2 THR A 71 14.039 5.684 4.195 1.00 0.00 C ATOM 0 H THR A 71 12.525 2.713 4.202 1.00 0.00 H new ATOM 0 HA THR A 71 13.430 4.438 6.230 1.00 0.00 H new ATOM 0 HB THR A 71 11.950 6.064 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.197 4.462 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.087 6.326 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.362 6.245 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.694 4.825 4.053 1.00 0.00 H new ATOM 1104 N ILE A 72 10.136 4.272 6.017 1.00 0.00 N ATOM 1105 CA ILE A 72 8.895 4.592 6.779 1.00 0.00 C ATOM 1106 C ILE A 72 9.021 4.032 8.196 1.00 0.00 C ATOM 1107 O ILE A 72 8.577 4.633 9.155 1.00 0.00 O ATOM 1108 CB ILE A 72 7.692 3.949 6.082 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.602 4.469 4.639 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.411 4.311 6.836 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.651 3.600 3.800 1.00 0.00 C ATOM 0 H ILE A 72 9.992 3.740 5.159 1.00 0.00 H new ATOM 0 HA ILE A 72 8.755 5.672 6.821 1.00 0.00 H new ATOM 0 HB ILE A 72 7.812 2.866 6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.251 5.501 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.594 4.471 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.555 3.853 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.476 3.944 7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.288 5.394 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.605 3.989 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.018 2.574 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.655 3.620 4.242 1.00 0.00 H new ATOM 1123 N ARG A 73 9.623 2.883 8.333 1.00 0.00 N ATOM 1124 CA ARG A 73 9.778 2.278 9.687 1.00 0.00 C ATOM 1125 C ARG A 73 10.963 2.927 10.406 1.00 0.00 C ATOM 1126 O ARG A 73 11.259 2.615 11.543 1.00 0.00 O ATOM 1127 CB ARG A 73 10.032 0.774 9.544 1.00 0.00 C ATOM 1128 CG ARG A 73 9.192 -0.005 10.562 1.00 0.00 C ATOM 1129 CD ARG A 73 9.645 0.342 11.982 1.00 0.00 C ATOM 1130 NE ARG A 73 9.135 -0.689 12.930 1.00 0.00 N ATOM 1131 CZ ARG A 73 9.923 -1.641 13.349 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.130 -2.693 12.604 1.00 0.00 N ATOM 1133 NH2 ARG A 73 10.505 -1.541 14.512 1.00 0.00 N ATOM 0 H ARG A 73 10.015 2.336 7.566 1.00 0.00 H new ATOM 0 HA ARG A 73 8.869 2.443 10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.783 0.451 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.090 0.561 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.137 0.237 10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.296 -1.076 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.733 0.387 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.273 1.327 12.264 1.00 0.00 H new ATOM 0 HE ARG A 73 8.168 -0.650 13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.676 -2.771 11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.746 -3.437 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.344 -0.719 15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.121 -2.285 14.840 1.00 0.00 H new ATOM 1147 N ALA A 74 11.648 3.825 9.752 1.00 0.00 N ATOM 1148 CA ALA A 74 12.816 4.488 10.398 1.00 0.00 C ATOM 1149 C ALA A 74 12.362 5.784 11.074 1.00 0.00 C ATOM 1150 O ALA A 74 12.941 6.224 12.046 1.00 0.00 O ATOM 1151 CB ALA A 74 13.870 4.809 9.337 1.00 0.00 C ATOM 0 H ALA A 74 11.449 4.128 8.799 1.00 0.00 H new ATOM 0 HA ALA A 74 13.243 3.820 11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.725 5.294 9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.196 3.886 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.442 5.476 8.589 1.00 0.00 H new ATOM 1157 N ASP A 75 11.330 6.398 10.564 1.00 0.00 N ATOM 1158 CA ASP A 75 10.842 7.666 11.177 1.00 0.00 C ATOM 1159 C ASP A 75 10.652 7.468 12.682 1.00 0.00 C ATOM 1160 O ASP A 75 11.311 8.097 13.485 1.00 0.00 O ATOM 1161 CB ASP A 75 9.506 8.059 10.542 1.00 0.00 C ATOM 1162 CG ASP A 75 9.464 9.575 10.342 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.359 10.093 9.696 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.536 10.192 10.840 1.00 0.00 O ATOM 0 H ASP A 75 10.804 6.077 9.751 1.00 0.00 H new ATOM 0 HA ASP A 75 11.573 8.456 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.382 7.551 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.681 7.742 11.180 1.00 0.00 H new ATOM 1169 N GLY A 76 9.751 6.600 13.064 1.00 0.00 N ATOM 1170 CA GLY A 76 9.504 6.350 14.516 1.00 0.00 C ATOM 1171 C GLY A 76 8.152 6.945 14.915 1.00 0.00 C ATOM 1172 O GLY A 76 7.527 6.508 15.861 1.00 0.00 O ATOM 0 H GLY A 76 9.172 6.050 12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.516 5.279 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.300 6.796 15.113 1.00 0.00 H new ATOM 1176 N ALA A 77 7.694 7.937 14.200 1.00 0.00 N ATOM 1177 CA ALA A 77 6.382 8.555 14.541 1.00 0.00 C ATOM 1178 C ALA A 77 5.342 7.452 14.755 1.00 0.00 C ATOM 1179 O ALA A 77 4.988 7.129 15.872 1.00 0.00 O ATOM 1180 CB ALA A 77 5.933 9.466 13.396 1.00 0.00 C ATOM 0 H ALA A 77 8.171 8.345 13.396 1.00 0.00 H new ATOM 0 HA ALA A 77 6.482 9.143 15.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.973 9.918 13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.674 10.250 13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.831 8.879 12.483 1.00 0.00 H new ATOM 1186 N MET A 78 4.853 6.869 13.695 1.00 0.00 N ATOM 1187 CA MET A 78 3.842 5.785 13.843 1.00 0.00 C ATOM 1188 C MET A 78 4.559 4.438 13.941 1.00 0.00 C ATOM 1189 O MET A 78 4.102 3.524 14.601 1.00 0.00 O ATOM 1190 CB MET A 78 2.913 5.783 12.626 1.00 0.00 C ATOM 1191 CG MET A 78 1.467 5.597 13.087 1.00 0.00 C ATOM 1192 SD MET A 78 0.438 5.132 11.672 1.00 0.00 S ATOM 1193 CE MET A 78 -0.439 6.706 11.506 1.00 0.00 C ATOM 0 H MET A 78 5.110 7.096 12.734 1.00 0.00 H new ATOM 0 HA MET A 78 3.254 5.953 14.745 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.013 6.720 12.077 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.194 4.982 11.942 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.416 4.827 13.856 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.095 6.519 13.534 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.142 6.645 10.675 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.983 6.918 12.426 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.279 7.504 11.316 1.00 0.00 H new ATOM 1203 N SER A 79 5.684 4.310 13.293 1.00 0.00 N ATOM 1204 CA SER A 79 6.438 3.025 13.349 1.00 0.00 C ATOM 1205 C SER A 79 5.489 1.854 13.084 1.00 0.00 C ATOM 1206 O SER A 79 5.822 0.711 13.323 1.00 0.00 O ATOM 1207 CB SER A 79 7.068 2.867 14.734 1.00 0.00 C ATOM 1208 OG SER A 79 8.337 2.241 14.605 1.00 0.00 O ATOM 0 H SER A 79 6.115 5.041 12.726 1.00 0.00 H new ATOM 0 HA SER A 79 7.219 3.032 12.589 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.177 3.842 15.210 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.419 2.270 15.375 1.00 0.00 H new ATOM 0 HG SER A 79 8.744 2.140 15.491 1.00 0.00 H new ATOM 1214 N ALA A 80 4.309 2.127 12.595 1.00 0.00 N ATOM 1215 CA ALA A 80 3.349 1.021 12.322 1.00 0.00 C ATOM 1216 C ALA A 80 2.437 1.398 11.151 1.00 0.00 C ATOM 1217 O ALA A 80 1.473 0.718 10.865 1.00 0.00 O ATOM 1218 CB ALA A 80 2.496 0.770 13.568 1.00 0.00 C ATOM 0 H ALA A 80 3.970 3.063 12.374 1.00 0.00 H new ATOM 0 HA ALA A 80 3.905 0.119 12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.793 -0.039 13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.142 0.494 14.402 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.945 1.676 13.820 1.00 0.00 H new ATOM 1224 N LEU A 81 2.729 2.474 10.471 1.00 0.00 N ATOM 1225 CA LEU A 81 1.873 2.885 9.322 1.00 0.00 C ATOM 1226 C LEU A 81 1.617 1.659 8.410 1.00 0.00 C ATOM 1227 O LEU A 81 2.541 1.201 7.766 1.00 0.00 O ATOM 1228 CB LEU A 81 2.606 3.969 8.515 1.00 0.00 C ATOM 1229 CG LEU A 81 1.647 5.125 8.205 1.00 0.00 C ATOM 1230 CD1 LEU A 81 2.391 6.239 7.468 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.503 4.625 7.322 1.00 0.00 C ATOM 0 H LEU A 81 3.523 3.086 10.662 1.00 0.00 H new ATOM 0 HA LEU A 81 0.923 3.273 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.463 4.337 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.992 3.546 7.587 1.00 0.00 H new ATOM 0 HG LEU A 81 1.249 5.510 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.702 7.056 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.206 6.607 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.796 5.850 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.176 5.450 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.908 4.233 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.040 3.836 7.842 1.00 0.00 H new ATOM 1243 N PRO A 82 0.394 1.141 8.361 1.00 0.00 N ATOM 1244 CA PRO A 82 0.098 -0.031 7.510 1.00 0.00 C ATOM 1245 C PRO A 82 0.403 0.229 6.033 1.00 0.00 C ATOM 1246 O PRO A 82 -0.099 1.161 5.426 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.398 -0.303 7.703 1.00 0.00 C ATOM 1248 CG PRO A 82 -1.933 0.712 8.739 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.778 1.646 9.119 1.00 0.00 C ATOM 0 HA PRO A 82 0.721 -0.879 7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.930 -0.200 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.559 -1.324 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.764 1.282 8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.312 0.195 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.003 2.679 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.592 1.626 10.193 1.00 0.00 H new ATOM 1257 N VAL A 83 1.204 -0.624 5.449 1.00 0.00 N ATOM 1258 CA VAL A 83 1.538 -0.491 4.007 1.00 0.00 C ATOM 1259 C VAL A 83 0.929 -1.650 3.266 1.00 0.00 C ATOM 1260 O VAL A 83 1.200 -2.795 3.574 1.00 0.00 O ATOM 1261 CB VAL A 83 3.046 -0.558 3.785 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.327 -1.026 2.341 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.635 0.833 3.984 1.00 0.00 C ATOM 0 H VAL A 83 1.644 -1.415 5.919 1.00 0.00 H new ATOM 0 HA VAL A 83 1.157 0.468 3.655 1.00 0.00 H new ATOM 0 HB VAL A 83 3.495 -1.257 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.404 -1.075 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.891 -2.013 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.885 -0.320 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.713 0.797 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.187 1.523 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.426 1.175 4.998 1.00 0.00 H new ATOM 1273 N LEU A 84 0.139 -1.376 2.278 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.448 -2.482 1.509 1.00 0.00 C ATOM 1275 C LEU A 84 0.325 -2.665 0.214 1.00 0.00 C ATOM 1276 O LEU A 84 -0.115 -2.275 -0.849 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.907 -2.184 1.214 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.551 -3.381 0.511 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.523 -4.611 1.427 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.996 -3.041 0.172 1.00 0.00 C ATOM 0 H LEU A 84 -0.122 -0.438 1.974 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.389 -3.402 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.438 -1.967 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.986 -1.297 0.586 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.994 -3.603 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.984 -5.456 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.490 -4.856 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.075 -4.396 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.461 -3.890 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.542 -2.817 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.021 -2.173 -0.486 1.00 0.00 H new ATOM 1292 N MET A 85 1.473 -3.269 0.293 1.00 0.00 N ATOM 1293 CA MET A 85 2.266 -3.489 -0.937 1.00 0.00 C ATOM 1294 C MET A 85 1.426 -4.317 -1.900 1.00 0.00 C ATOM 1295 O MET A 85 0.528 -5.028 -1.494 1.00 0.00 O ATOM 1296 CB MET A 85 3.558 -4.238 -0.594 1.00 0.00 C ATOM 1297 CG MET A 85 4.751 -3.541 -1.254 1.00 0.00 C ATOM 1298 SD MET A 85 4.956 -1.889 -0.542 1.00 0.00 S ATOM 1299 CE MET A 85 6.697 -1.668 -0.986 1.00 0.00 C ATOM 0 H MET A 85 1.894 -3.618 1.154 1.00 0.00 H new ATOM 0 HA MET A 85 2.530 -2.535 -1.393 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.695 -4.269 0.487 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.493 -5.271 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.657 -4.128 -1.104 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.593 -3.468 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.041 -0.694 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.294 -2.452 -0.520 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.806 -1.724 -2.069 1.00 0.00 H new ATOM 1309 N VAL A 86 1.698 -4.218 -3.169 1.00 0.00 N ATOM 1310 CA VAL A 86 0.903 -4.985 -4.168 1.00 0.00 C ATOM 1311 C VAL A 86 1.855 -5.644 -5.170 1.00 0.00 C ATOM 1312 O VAL A 86 2.757 -5.016 -5.683 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.031 -4.014 -4.895 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.977 -4.795 -5.800 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.848 -3.219 -3.869 1.00 0.00 C ATOM 0 H VAL A 86 2.439 -3.637 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 86 0.316 -5.759 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 86 0.563 -3.327 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.641 -4.102 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.398 -5.357 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.569 -5.485 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.512 -2.528 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.440 -3.906 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.173 -2.657 -3.223 1.00 0.00 H new ATOM 1325 N THR A 87 1.673 -6.906 -5.455 1.00 0.00 N ATOM 1326 CA THR A 87 2.594 -7.574 -6.427 1.00 0.00 C ATOM 1327 C THR A 87 1.854 -8.691 -7.165 1.00 0.00 C ATOM 1328 O THR A 87 0.674 -8.891 -6.973 1.00 0.00 O ATOM 1329 CB THR A 87 3.793 -8.160 -5.676 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.607 -8.889 -6.583 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.298 -9.090 -4.572 1.00 0.00 C ATOM 0 H THR A 87 0.939 -7.498 -5.065 1.00 0.00 H new ATOM 0 HA THR A 87 2.943 -6.839 -7.152 1.00 0.00 H new ATOM 0 HB THR A 87 4.376 -7.352 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.376 -9.263 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.152 -9.507 -4.038 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.673 -8.529 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.715 -9.899 -5.012 1.00 0.00 H new ATOM 1339 N ALA A 88 2.545 -9.416 -8.011 1.00 0.00 N ATOM 1340 CA ALA A 88 1.892 -10.525 -8.775 1.00 0.00 C ATOM 1341 C ALA A 88 2.488 -11.869 -8.348 1.00 0.00 C ATOM 1342 O ALA A 88 1.775 -12.807 -8.050 1.00 0.00 O ATOM 1343 CB ALA A 88 2.135 -10.322 -10.272 1.00 0.00 C ATOM 0 H ALA A 88 3.538 -9.287 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 88 0.822 -10.520 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.660 -11.129 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.711 -9.367 -10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.207 -10.325 -10.470 1.00 0.00 H new ATOM 1349 N GLU A 89 3.788 -11.975 -8.323 1.00 0.00 N ATOM 1350 CA GLU A 89 4.420 -13.263 -7.921 1.00 0.00 C ATOM 1351 C GLU A 89 4.386 -13.401 -6.397 1.00 0.00 C ATOM 1352 O GLU A 89 3.671 -14.221 -5.857 1.00 0.00 O ATOM 1353 CB GLU A 89 5.872 -13.296 -8.404 1.00 0.00 C ATOM 1354 CG GLU A 89 6.340 -11.874 -8.721 1.00 0.00 C ATOM 1355 CD GLU A 89 7.842 -11.885 -9.006 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.606 -11.774 -8.061 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.205 -12.004 -10.165 1.00 0.00 O ATOM 0 H GLU A 89 4.439 -11.227 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 89 3.869 -14.089 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.510 -13.738 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.957 -13.924 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.798 -11.485 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.123 -11.212 -7.882 1.00 0.00 H new ATOM 1364 N ALA A 90 5.153 -12.607 -5.702 1.00 0.00 N ATOM 1365 CA ALA A 90 5.164 -12.696 -4.214 1.00 0.00 C ATOM 1366 C ALA A 90 5.853 -14.001 -3.790 1.00 0.00 C ATOM 1367 O ALA A 90 5.236 -14.909 -3.268 1.00 0.00 O ATOM 1368 CB ALA A 90 3.721 -12.657 -3.694 1.00 0.00 C ATOM 0 H ALA A 90 5.772 -11.901 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 90 5.713 -11.854 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.724 -12.722 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.249 -11.723 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.163 -13.498 -4.106 1.00 0.00 H new ATOM 1374 N LYS A 91 7.134 -14.101 -4.018 1.00 0.00 N ATOM 1375 CA LYS A 91 7.866 -15.343 -3.637 1.00 0.00 C ATOM 1376 C LYS A 91 7.783 -15.553 -2.123 1.00 0.00 C ATOM 1377 O LYS A 91 6.832 -15.150 -1.483 1.00 0.00 O ATOM 1378 CB LYS A 91 9.332 -15.220 -4.055 1.00 0.00 C ATOM 1379 CG LYS A 91 9.451 -14.233 -5.219 1.00 0.00 C ATOM 1380 CD LYS A 91 10.782 -14.452 -5.940 1.00 0.00 C ATOM 1381 CE LYS A 91 11.361 -13.101 -6.366 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.996 -12.440 -5.193 1.00 0.00 N ATOM 0 H LYS A 91 7.706 -13.376 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 91 7.412 -16.195 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.934 -14.879 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.720 -16.195 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.622 -14.371 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.390 -13.209 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.482 -14.969 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.634 -15.088 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.096 -13.242 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.572 -12.467 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.688 -11.448 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.714 -12.933 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.031 -12.477 -5.292 1.00 0.00 H new ATOM 1396 N LYS A 92 8.770 -16.189 -1.549 1.00 0.00 N ATOM 1397 CA LYS A 92 8.752 -16.438 -0.078 1.00 0.00 C ATOM 1398 C LYS A 92 9.581 -15.372 0.645 1.00 0.00 C ATOM 1399 O LYS A 92 9.062 -14.373 1.098 1.00 0.00 O ATOM 1400 CB LYS A 92 9.345 -17.820 0.209 1.00 0.00 C ATOM 1401 CG LYS A 92 8.294 -18.896 -0.072 1.00 0.00 C ATOM 1402 CD LYS A 92 8.975 -20.130 -0.667 1.00 0.00 C ATOM 1403 CE LYS A 92 7.960 -21.269 -0.779 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.140 -21.967 -2.084 1.00 0.00 N ATOM 0 H LYS A 92 9.590 -16.548 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 92 7.723 -16.394 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.225 -17.986 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.672 -17.879 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.775 -19.162 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.542 -18.514 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.383 -19.895 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.812 -20.435 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.094 -21.972 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.946 -20.876 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.450 -22.742 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.992 -21.293 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.104 -22.354 -2.141 1.00 0.00 H new ATOM 1418 N GLU A 93 10.863 -15.588 0.768 1.00 0.00 N ATOM 1419 CA GLU A 93 11.729 -14.601 1.473 1.00 0.00 C ATOM 1420 C GLU A 93 11.441 -13.181 0.970 1.00 0.00 C ATOM 1421 O GLU A 93 11.893 -12.210 1.543 1.00 0.00 O ATOM 1422 CB GLU A 93 13.201 -14.941 1.225 1.00 0.00 C ATOM 1423 CG GLU A 93 13.366 -15.529 -0.179 1.00 0.00 C ATOM 1424 CD GLU A 93 12.643 -14.643 -1.194 1.00 0.00 C ATOM 1425 OE1 GLU A 93 13.256 -13.705 -1.676 1.00 0.00 O ATOM 1426 OE2 GLU A 93 11.488 -14.917 -1.473 1.00 0.00 O ATOM 0 H GLU A 93 11.349 -16.409 0.409 1.00 0.00 H new ATOM 0 HA GLU A 93 11.515 -14.647 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.813 -14.045 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.550 -15.654 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.424 -15.601 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.961 -16.541 -0.211 1.00 0.00 H new ATOM 1433 N ASN A 94 10.698 -13.049 -0.095 1.00 0.00 N ATOM 1434 CA ASN A 94 10.393 -11.687 -0.623 1.00 0.00 C ATOM 1435 C ASN A 94 9.262 -11.061 0.199 1.00 0.00 C ATOM 1436 O ASN A 94 9.221 -9.865 0.405 1.00 0.00 O ATOM 1437 CB ASN A 94 9.978 -11.797 -2.095 1.00 0.00 C ATOM 1438 CG ASN A 94 8.972 -10.698 -2.451 1.00 0.00 C ATOM 1439 OD1 ASN A 94 7.863 -10.685 -1.955 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.313 -9.778 -3.309 1.00 0.00 N ATOM 0 H ASN A 94 10.290 -13.822 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 94 11.277 -11.054 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.857 -11.715 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.538 -12.776 -2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.649 -9.047 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.244 -9.789 -3.725 1.00 0.00 H new ATOM 1447 N ILE A 95 8.345 -11.860 0.670 1.00 0.00 N ATOM 1448 CA ILE A 95 7.218 -11.310 1.479 1.00 0.00 C ATOM 1449 C ILE A 95 7.639 -11.228 2.951 1.00 0.00 C ATOM 1450 O ILE A 95 6.951 -10.654 3.771 1.00 0.00 O ATOM 1451 CB ILE A 95 5.997 -12.230 1.351 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.650 -12.429 -0.128 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.795 -11.603 2.065 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.608 -13.543 -0.265 1.00 0.00 C ATOM 0 H ILE A 95 8.326 -12.870 0.530 1.00 0.00 H new ATOM 0 HA ILE A 95 6.963 -10.315 1.115 1.00 0.00 H new ATOM 0 HB ILE A 95 6.232 -13.192 1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.263 -11.501 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.547 -12.685 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.931 -12.261 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.031 -11.463 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.567 -10.638 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.362 -13.684 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.012 -14.471 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.708 -13.269 0.285 1.00 0.00 H new ATOM 1466 N ILE A 96 8.761 -11.804 3.295 1.00 0.00 N ATOM 1467 CA ILE A 96 9.215 -11.763 4.716 1.00 0.00 C ATOM 1468 C ILE A 96 10.029 -10.492 4.965 1.00 0.00 C ATOM 1469 O ILE A 96 9.651 -9.650 5.756 1.00 0.00 O ATOM 1470 CB ILE A 96 10.082 -12.988 5.016 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.386 -14.254 4.500 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.299 -13.103 6.525 1.00 0.00 C ATOM 1473 CD1 ILE A 96 7.937 -14.294 4.995 1.00 0.00 C ATOM 0 H ILE A 96 9.381 -12.300 2.655 1.00 0.00 H new ATOM 0 HA ILE A 96 8.342 -11.766 5.368 1.00 0.00 H new ATOM 0 HB ILE A 96 11.045 -12.878 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.407 -14.272 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.921 -15.139 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.916 -13.976 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.800 -12.206 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.336 -13.209 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.451 -15.196 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.925 -14.297 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.403 -13.417 4.629 1.00 0.00 H new ATOM 1485 N ALA A 97 11.145 -10.352 4.303 1.00 0.00 N ATOM 1486 CA ALA A 97 11.991 -9.138 4.501 1.00 0.00 C ATOM 1487 C ALA A 97 11.103 -7.899 4.514 1.00 0.00 C ATOM 1488 O ALA A 97 11.312 -6.975 5.275 1.00 0.00 O ATOM 1489 CB ALA A 97 13.000 -9.022 3.357 1.00 0.00 C ATOM 0 H ALA A 97 11.509 -11.028 3.631 1.00 0.00 H new ATOM 0 HA ALA A 97 12.523 -9.220 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.616 -8.135 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.636 -9.907 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.468 -8.941 2.409 1.00 0.00 H new ATOM 1495 N ALA A 98 10.110 -7.876 3.675 1.00 0.00 N ATOM 1496 CA ALA A 98 9.198 -6.705 3.628 1.00 0.00 C ATOM 1497 C ALA A 98 8.331 -6.671 4.890 1.00 0.00 C ATOM 1498 O ALA A 98 8.196 -5.651 5.534 1.00 0.00 O ATOM 1499 CB ALA A 98 8.302 -6.827 2.395 1.00 0.00 C ATOM 0 H ALA A 98 9.890 -8.623 3.016 1.00 0.00 H new ATOM 0 HA ALA A 98 9.782 -5.786 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.627 -5.972 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.920 -6.850 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.719 -7.746 2.458 1.00 0.00 H new ATOM 1505 N ALA A 99 7.725 -7.772 5.236 1.00 0.00 N ATOM 1506 CA ALA A 99 6.849 -7.802 6.440 1.00 0.00 C ATOM 1507 C ALA A 99 7.559 -7.163 7.638 1.00 0.00 C ATOM 1508 O ALA A 99 7.015 -6.306 8.307 1.00 0.00 O ATOM 1509 CB ALA A 99 6.498 -9.253 6.774 1.00 0.00 C ATOM 0 H ALA A 99 7.799 -8.657 4.734 1.00 0.00 H new ATOM 0 HA ALA A 99 5.941 -7.237 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.857 -9.279 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.975 -9.704 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.412 -9.812 6.974 1.00 0.00 H new ATOM 1515 N GLN A 100 8.758 -7.586 7.928 1.00 0.00 N ATOM 1516 CA GLN A 100 9.492 -7.018 9.097 1.00 0.00 C ATOM 1517 C GLN A 100 9.835 -5.543 8.859 1.00 0.00 C ATOM 1518 O GLN A 100 10.275 -4.854 9.757 1.00 0.00 O ATOM 1519 CB GLN A 100 10.788 -7.806 9.308 1.00 0.00 C ATOM 1520 CG GLN A 100 10.899 -8.235 10.772 1.00 0.00 C ATOM 1521 CD GLN A 100 9.882 -9.341 11.059 1.00 0.00 C ATOM 1522 OE1 GLN A 100 9.704 -10.291 10.181 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 9.243 -9.342 12.092 1.00 0.00 N flip ATOM 0 H GLN A 100 9.263 -8.302 7.406 1.00 0.00 H new ATOM 0 HA GLN A 100 8.855 -7.092 9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.801 -8.683 8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.646 -7.193 9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.908 -8.591 10.982 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.719 -7.382 11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.382 -8.600 12.778 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.568 -10.085 12.273 1.00 0.00 H new ATOM 1532 N ALA A 101 9.656 -5.058 7.660 1.00 0.00 N ATOM 1533 CA ALA A 101 9.996 -3.630 7.375 1.00 0.00 C ATOM 1534 C ALA A 101 8.751 -2.736 7.493 1.00 0.00 C ATOM 1535 O ALA A 101 8.841 -1.593 7.892 1.00 0.00 O ATOM 1536 CB ALA A 101 10.575 -3.525 5.963 1.00 0.00 C ATOM 0 H ALA A 101 9.291 -5.585 6.867 1.00 0.00 H new ATOM 0 HA ALA A 101 10.730 -3.290 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.825 -2.486 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.474 -4.137 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.839 -3.877 5.241 1.00 0.00 H new ATOM 1542 N GLY A 102 7.597 -3.234 7.146 1.00 0.00 N ATOM 1543 CA GLY A 102 6.366 -2.399 7.236 1.00 0.00 C ATOM 1544 C GLY A 102 5.340 -2.884 6.207 1.00 0.00 C ATOM 1545 O GLY A 102 4.171 -2.565 6.275 1.00 0.00 O ATOM 0 H GLY A 102 7.453 -4.184 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.946 -2.460 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.610 -1.352 7.055 1.00 0.00 H new ATOM 1549 N ALA A 103 5.786 -3.673 5.273 1.00 0.00 N ATOM 1550 CA ALA A 103 4.902 -4.244 4.212 1.00 0.00 C ATOM 1551 C ALA A 103 3.745 -5.030 4.833 1.00 0.00 C ATOM 1552 O ALA A 103 3.088 -5.793 4.154 1.00 0.00 O ATOM 1553 CB ALA A 103 5.714 -5.164 3.309 1.00 0.00 C ATOM 0 H ALA A 103 6.762 -3.958 5.196 1.00 0.00 H new ATOM 0 HA ALA A 103 4.490 -3.422 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.067 -5.579 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.520 -4.597 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.137 -5.975 3.902 1.00 0.00 H new ATOM 1559 N SER A 104 3.556 -4.905 6.124 1.00 0.00 N ATOM 1560 CA SER A 104 2.496 -5.687 6.852 1.00 0.00 C ATOM 1561 C SER A 104 1.310 -6.005 5.940 1.00 0.00 C ATOM 1562 O SER A 104 0.692 -7.044 6.072 1.00 0.00 O ATOM 1563 CB SER A 104 1.986 -4.864 8.039 1.00 0.00 C ATOM 1564 OG SER A 104 3.046 -4.675 8.969 1.00 0.00 O ATOM 0 H SER A 104 4.101 -4.282 6.720 1.00 0.00 H new ATOM 0 HA SER A 104 2.942 -6.623 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.613 -3.900 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.152 -5.375 8.519 1.00 0.00 H new ATOM 0 HG SER A 104 2.724 -4.147 9.729 1.00 0.00 H new ATOM 1570 N GLY A 105 0.999 -5.145 5.012 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.133 -5.425 4.086 1.00 0.00 C ATOM 1572 C GLY A 105 0.413 -5.829 2.716 1.00 0.00 C ATOM 1573 O GLY A 105 1.158 -5.101 2.089 1.00 0.00 O ATOM 0 H GLY A 105 1.480 -4.259 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.757 -6.222 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.765 -4.542 3.991 1.00 0.00 H new ATOM 1577 N TYR A 106 0.038 -6.986 2.247 1.00 0.00 N ATOM 1578 CA TYR A 106 0.510 -7.447 0.912 1.00 0.00 C ATOM 1579 C TYR A 106 -0.632 -8.165 0.217 1.00 0.00 C ATOM 1580 O TYR A 106 -1.244 -9.062 0.765 1.00 0.00 O ATOM 1581 CB TYR A 106 1.693 -8.412 1.049 1.00 0.00 C ATOM 1582 CG TYR A 106 1.524 -9.576 0.080 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.459 -9.353 -1.308 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.433 -10.886 0.572 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.305 -10.436 -2.183 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.280 -11.962 -0.307 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.216 -11.737 -1.683 1.00 0.00 C ATOM 1588 OH TYR A 106 1.063 -12.800 -2.550 1.00 0.00 O ATOM 0 H TYR A 106 -0.579 -7.636 2.734 1.00 0.00 H new ATOM 0 HA TYR A 106 0.835 -6.581 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.627 -7.889 0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.754 -8.784 2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.528 -8.348 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.481 -11.065 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.255 -10.264 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.211 -12.968 0.079 1.00 0.00 H new ATOM 0 HH TYR A 106 1.019 -13.635 -2.039 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.912 -7.780 -0.987 1.00 0.00 N ATOM 1599 CA VAL A 107 -2.004 -8.428 -1.749 1.00 0.00 C ATOM 1600 C VAL A 107 -1.503 -8.701 -3.154 1.00 0.00 C ATOM 1601 O VAL A 107 -0.991 -7.821 -3.818 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.199 -7.484 -1.833 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.798 -6.252 -2.645 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.362 -8.198 -2.525 1.00 0.00 C ATOM 0 H VAL A 107 -0.425 -7.034 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.304 -9.353 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.507 -7.182 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.645 -5.569 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.964 -5.749 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.499 -6.558 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.217 -7.525 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.061 -8.494 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.637 -9.084 -1.953 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.656 -9.895 -3.634 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.196 -10.162 -5.011 1.00 0.00 C ATOM 1616 C VAL A 108 -1.981 -9.224 -5.935 1.00 0.00 C ATOM 1617 O VAL A 108 -2.598 -8.287 -5.480 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.472 -11.622 -5.387 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.154 -12.326 -5.714 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -2.149 -12.334 -4.214 1.00 0.00 C ATOM 0 H VAL A 108 -2.073 -10.685 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.123 -9.991 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.126 -11.651 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.352 -13.364 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.330 -11.822 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.501 -12.294 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.345 -13.372 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.495 -12.302 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.090 -11.836 -3.980 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.983 -9.455 -7.212 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.762 -8.546 -8.114 1.00 0.00 C ATOM 1632 C LYS A 109 -2.872 -9.174 -9.520 1.00 0.00 C ATOM 1633 O LYS A 109 -1.974 -9.885 -9.925 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.046 -7.193 -8.201 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.651 -7.364 -8.816 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.597 -6.636 -10.160 1.00 0.00 C ATOM 1637 CE LYS A 109 0.803 -6.776 -10.763 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.727 -7.574 -12.019 1.00 0.00 N ATOM 0 H LYS A 109 -1.490 -10.219 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.765 -8.403 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.634 -6.501 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.961 -6.755 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.107 -6.964 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.429 -8.422 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.340 -7.051 -10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.842 -5.583 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.221 -5.791 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.470 -7.262 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.688 -7.799 -12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.207 -8.457 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.232 -7.024 -12.750 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.935 -8.883 -10.258 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.070 -8.023 -9.828 1.00 0.00 C ATOM 1654 C PRO A 110 -5.953 -8.761 -8.814 1.00 0.00 C ATOM 1655 O PRO A 110 -5.992 -9.975 -8.788 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.882 -7.783 -11.109 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.189 -8.557 -12.257 1.00 0.00 C ATOM 1658 CD PRO A 110 -4.047 -9.377 -11.640 1.00 0.00 C ATOM 0 HA PRO A 110 -4.722 -7.103 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.909 -8.127 -10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.928 -6.718 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.900 -9.210 -12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.803 -7.866 -13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.269 -10.444 -11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.116 -9.234 -12.188 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.664 -8.031 -7.988 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.555 -8.680 -6.978 1.00 0.00 C ATOM 1668 C PHE A 111 -8.988 -8.219 -7.184 1.00 0.00 C ATOM 1669 O PHE A 111 -9.250 -7.144 -7.687 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.143 -8.278 -5.557 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.732 -6.827 -5.539 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.698 -5.817 -5.635 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.382 -6.493 -5.460 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.302 -4.477 -5.659 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.985 -5.156 -5.473 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.944 -4.145 -5.579 1.00 0.00 C ATOM 0 H PHE A 111 -6.665 -7.011 -7.971 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.470 -9.759 -7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.972 -8.440 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.318 -8.904 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.746 -6.073 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.639 -7.273 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -8.044 -3.697 -5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.938 -4.902 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.638 -3.109 -5.599 1.00 0.00 H new ATOM 1686 N THR A 112 -9.911 -9.012 -6.750 1.00 0.00 N ATOM 1687 CA THR A 112 -11.336 -8.618 -6.851 1.00 0.00 C ATOM 1688 C THR A 112 -11.674 -7.872 -5.564 1.00 0.00 C ATOM 1689 O THR A 112 -11.078 -8.115 -4.535 1.00 0.00 O ATOM 1690 CB THR A 112 -12.219 -9.861 -6.978 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.498 -10.886 -7.646 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.476 -9.511 -7.776 1.00 0.00 C ATOM 0 H THR A 112 -9.742 -9.924 -6.326 1.00 0.00 H new ATOM 0 HA THR A 112 -11.508 -7.994 -7.728 1.00 0.00 H new ATOM 0 HB THR A 112 -12.506 -10.210 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.062 -11.683 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.107 -10.395 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 112 -14.027 -8.724 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 112 -13.191 -9.164 -8.769 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.596 -6.956 -5.598 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.915 -6.208 -4.351 1.00 0.00 C ATOM 1702 C ALA A 113 -13.116 -7.193 -3.206 1.00 0.00 C ATOM 1703 O ALA A 113 -12.698 -6.951 -2.091 1.00 0.00 O ATOM 1704 CB ALA A 113 -14.181 -5.373 -4.551 1.00 0.00 C ATOM 0 H ALA A 113 -13.137 -6.694 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 113 -12.089 -5.539 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.407 -4.829 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.025 -4.664 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -15.015 -6.030 -4.798 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.730 -8.311 -3.463 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.920 -9.299 -2.372 1.00 0.00 C ATOM 1712 C ALA A 114 -12.554 -9.861 -1.994 1.00 0.00 C ATOM 1713 O ALA A 114 -12.281 -10.135 -0.842 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.838 -10.429 -2.843 1.00 0.00 C ATOM 0 H ALA A 114 -14.105 -8.581 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.381 -8.820 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.972 -11.149 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.807 -10.017 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.390 -10.927 -3.703 1.00 0.00 H new ATOM 1720 N THR A 115 -11.680 -10.013 -2.952 1.00 0.00 N ATOM 1721 CA THR A 115 -10.327 -10.529 -2.630 1.00 0.00 C ATOM 1722 C THR A 115 -9.602 -9.467 -1.805 1.00 0.00 C ATOM 1723 O THR A 115 -9.305 -9.685 -0.647 1.00 0.00 O ATOM 1724 CB THR A 115 -9.556 -10.815 -3.914 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.104 -11.963 -4.547 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.083 -11.066 -3.584 1.00 0.00 C ATOM 0 H THR A 115 -11.846 -9.803 -3.936 1.00 0.00 H new ATOM 0 HA THR A 115 -10.401 -11.459 -2.066 1.00 0.00 H new ATOM 0 HB THR A 115 -9.634 -9.958 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.611 -12.148 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.534 -11.270 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.664 -10.185 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.001 -11.922 -2.915 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.316 -8.309 -2.370 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.630 -7.272 -1.559 1.00 0.00 C ATOM 1736 C LEU A 116 -9.355 -7.138 -0.211 1.00 0.00 C ATOM 1737 O LEU A 116 -8.736 -7.081 0.834 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.680 -5.920 -2.288 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.295 -5.249 -2.317 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -7.453 -3.783 -2.708 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.638 -5.287 -0.942 1.00 0.00 C ATOM 0 H LEU A 116 -9.527 -8.052 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.590 -7.561 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.037 -6.067 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.394 -5.263 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.677 -5.789 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.474 -3.305 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.911 -3.717 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.087 -3.278 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.661 -4.806 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.266 -4.759 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.517 -6.323 -0.625 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.665 -7.083 -0.223 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.411 -6.946 1.057 1.00 0.00 C ATOM 1755 C GLU A 117 -10.951 -8.020 2.042 1.00 0.00 C ATOM 1756 O GLU A 117 -10.531 -7.729 3.145 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.911 -7.102 0.796 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.676 -6.974 2.116 1.00 0.00 C ATOM 1759 CD GLU A 117 -15.178 -6.912 1.832 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.625 -5.890 1.337 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.856 -7.886 2.114 1.00 0.00 O ATOM 0 H GLU A 117 -11.243 -7.127 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.216 -5.961 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.249 -6.341 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.112 -8.071 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.452 -7.823 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.358 -6.077 2.647 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.036 -9.258 1.653 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.615 -10.361 2.561 1.00 0.00 C ATOM 1770 C GLU A 118 -9.261 -10.031 3.194 1.00 0.00 C ATOM 1771 O GLU A 118 -9.031 -10.292 4.358 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.497 -11.660 1.760 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.886 -12.844 2.648 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.656 -14.151 1.887 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.416 -14.422 0.972 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -9.724 -14.858 2.232 1.00 0.00 O ATOM 0 H GLU A 118 -11.381 -9.557 0.741 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.359 -10.479 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.145 -11.620 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.477 -11.784 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.295 -12.835 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.932 -12.762 2.943 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.359 -9.470 2.436 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.018 -9.136 2.997 1.00 0.00 C ATOM 1785 C LYS A 119 -7.138 -7.986 4.002 1.00 0.00 C ATOM 1786 O LYS A 119 -6.804 -8.128 5.163 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.082 -8.722 1.858 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.974 -9.863 0.844 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.585 -10.495 0.931 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.486 -11.651 -0.067 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.990 -12.901 0.569 1.00 0.00 N ATOM 0 H LYS A 119 -8.492 -9.229 1.454 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.616 -10.012 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.460 -7.823 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.096 -8.479 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.739 -10.613 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.151 -9.486 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.820 -9.749 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.401 -10.857 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.068 -11.425 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.452 -11.783 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.923 -13.687 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.417 -13.119 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.983 -12.771 0.851 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.602 -6.847 3.563 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.735 -5.685 4.489 1.00 0.00 C ATOM 1807 C LEU A 120 -8.367 -6.141 5.808 1.00 0.00 C ATOM 1808 O LEU A 120 -7.790 -5.993 6.867 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.622 -4.615 3.843 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.205 -3.227 4.342 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.109 -2.661 3.437 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.415 -2.290 4.319 1.00 0.00 C ATOM 0 H LEU A 120 -7.895 -6.671 2.602 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.747 -5.270 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.534 -4.663 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.668 -4.800 4.087 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.827 -3.311 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.815 -1.674 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.245 -3.325 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.485 -2.580 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.118 -1.303 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.794 -2.210 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.196 -2.688 4.967 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.549 -6.689 5.755 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.217 -7.148 7.006 1.00 0.00 C ATOM 1826 C ASN A 121 -9.279 -8.066 7.792 1.00 0.00 C ATOM 1827 O ASN A 121 -9.246 -8.042 9.006 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.496 -7.908 6.652 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.699 -7.204 7.283 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.447 -6.528 6.605 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.918 -7.335 8.563 1.00 0.00 N ATOM 0 H ASN A 121 -10.082 -6.839 4.899 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.464 -6.281 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.616 -7.956 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.433 -8.935 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.717 -6.870 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.290 -7.902 9.132 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.522 -8.880 7.113 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.593 -9.805 7.823 1.00 0.00 C ATOM 1840 C LYS A 122 -6.600 -8.997 8.662 1.00 0.00 C ATOM 1841 O LYS A 122 -6.123 -9.451 9.684 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.822 -10.641 6.799 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.036 -12.129 7.087 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.334 -12.963 6.013 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.277 -13.855 6.667 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.644 -14.718 5.629 1.00 0.00 N ATOM 0 H LYS A 122 -8.505 -8.946 6.095 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.170 -10.461 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.161 -10.403 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.760 -10.400 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.643 -12.380 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.102 -12.358 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.062 -13.575 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.867 -12.308 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.520 -13.242 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.735 -14.473 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.925 -15.325 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.371 -15.313 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.194 -14.120 4.907 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.274 -7.811 8.233 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.299 -6.983 9.001 1.00 0.00 C ATOM 1862 C ILE A 123 -6.029 -6.121 10.031 1.00 0.00 C ATOM 1863 O ILE A 123 -5.698 -6.123 11.200 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.540 -6.077 8.034 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.555 -6.929 7.227 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.776 -5.006 8.823 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.915 -6.093 6.117 1.00 0.00 C ATOM 0 H ILE A 123 -6.639 -7.378 7.385 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.604 -7.643 9.521 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.241 -5.586 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.782 -7.325 7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.073 -7.785 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.235 -4.361 8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.481 -4.408 9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.069 -5.487 9.498 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.218 -6.711 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.691 -5.719 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.379 -5.252 6.558 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.005 -5.367 9.607 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.731 -4.496 10.562 1.00 0.00 C ATOM 1881 C PHE A 124 -8.323 -5.335 11.690 1.00 0.00 C ATOM 1882 O PHE A 124 -8.776 -4.814 12.688 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.825 -3.740 9.820 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.185 -2.575 9.111 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.436 -2.798 7.953 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.321 -1.278 9.617 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.830 -1.724 7.297 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.712 -0.202 8.960 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.967 -0.427 7.798 1.00 0.00 C ATOM 0 H PHE A 124 -7.328 -5.319 8.641 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.039 -3.777 11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.323 -4.395 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.587 -3.391 10.517 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.326 -3.800 7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.896 -1.107 10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.254 -1.897 6.400 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.817 0.800 9.350 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.498 0.401 7.288 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.296 -6.631 11.561 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.827 -7.481 12.656 1.00 0.00 C ATOM 1901 C GLU A 125 -7.820 -7.432 13.801 1.00 0.00 C ATOM 1902 O GLU A 125 -8.171 -7.497 14.962 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.998 -8.923 12.164 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.887 -9.702 13.137 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.152 -9.892 14.464 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.094 -10.500 14.450 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.658 -9.428 15.472 1.00 0.00 O ATOM 0 H GLU A 125 -7.932 -7.133 10.751 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.801 -7.120 12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.442 -8.927 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.024 -9.406 12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.821 -9.165 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.147 -10.671 12.712 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.567 -7.282 13.469 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.519 -7.188 14.518 1.00 0.00 C ATOM 1916 C LYS A 126 -5.324 -5.709 14.853 1.00 0.00 C ATOM 1917 O LYS A 126 -4.963 -5.350 15.957 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.209 -7.780 13.992 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.162 -7.780 15.107 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.663 -9.207 15.338 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.548 -9.197 16.386 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.300 -8.656 15.777 1.00 0.00 N ATOM 0 H LYS A 126 -6.225 -7.220 12.510 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.817 -7.742 15.408 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.375 -8.796 13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.850 -7.198 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.329 -7.131 14.838 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.593 -7.381 16.025 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.484 -9.841 15.672 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.294 -9.630 14.404 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.843 -8.587 17.240 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.376 -10.207 16.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.508 -8.864 16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.146 -9.099 14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.389 -7.627 15.659 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.579 -4.844 13.903 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.430 -3.385 14.159 1.00 0.00 C ATOM 1938 C LEU A 127 -6.658 -2.895 14.929 1.00 0.00 C ATOM 1939 O LEU A 127 -6.589 -1.951 15.690 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.317 -2.627 12.825 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.263 -1.523 12.951 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -2.865 -2.143 13.044 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.333 -0.611 11.724 1.00 0.00 C ATOM 0 H LEU A 127 -5.884 -5.089 12.961 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.527 -3.203 14.742 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.044 -3.316 12.026 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.281 -2.195 12.558 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.459 -0.943 13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.121 -1.351 13.133 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.812 -2.791 13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.666 -2.728 12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.583 0.175 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.141 -1.196 10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.324 -0.162 11.660 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.782 -3.542 14.743 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.017 -3.128 15.469 1.00 0.00 C ATOM 1957 C GLY A 128 -9.161 -1.606 15.435 1.00 0.00 C ATOM 1958 O GLY A 128 -8.740 -0.913 16.340 1.00 0.00 O ATOM 0 H GLY A 128 -7.895 -4.340 14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.890 -3.594 15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.974 -3.474 16.502 1.00 0.00 H new ATOM 1962 N MET A 129 -9.759 -1.081 14.402 1.00 0.00 N ATOM 1963 CA MET A 129 -9.933 0.397 14.318 1.00 0.00 C ATOM 1964 C MET A 129 -11.264 0.788 14.961 1.00 0.00 C ATOM 1965 O MET A 129 -12.276 0.697 14.285 1.00 0.00 O ATOM 1966 CB MET A 129 -9.929 0.831 12.851 1.00 0.00 C ATOM 1967 CG MET A 129 -8.592 1.495 12.517 1.00 0.00 C ATOM 1968 SD MET A 129 -8.517 3.127 13.297 1.00 0.00 S ATOM 1969 CE MET A 129 -7.994 4.055 11.835 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.250 1.171 16.120 1.00 0.00 O ATOM 0 H MET A 129 -10.134 -1.609 13.614 1.00 0.00 H new ATOM 0 HA MET A 129 -9.115 0.890 14.843 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.089 -0.032 12.205 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.748 1.525 12.664 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.768 0.874 12.868 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.481 1.591 11.437 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.884 5.108 12.093 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.040 3.667 11.480 1.00 0.00 H new ATOM 0 HE3 MET A 129 -8.743 3.950 11.050 1.00 0.00 H new