USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 200 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 63 MET CE :methyl 143:sc=-0.00464 (180deg=-1.06) USER MOD Set 1.2: A 71 THR OG1 : rot -9:sc= 0.552 USER MOD Set 2.1: A 56 SER OG : rot 34:sc= -0.254 USER MOD Set 2.2: A 60 MET CE :methyl -176:sc= -1.13 (180deg=-1.04) USER MOD Set 2.3: A 85 MET CE :methyl -179:sc= -0.582 (180deg=-0.595) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 0.257 (180deg=0.0777) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 106:sc= 1.75 USER MOD Single : A 17 MET CE :methyl -169:sc= -0.266 (180deg=-0.617) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.509 F(o=-5.5!,f=-0.51) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.0461 (180deg=-0.435) USER MOD Single : A 31 ASN : amide:sc= 0.037 X(o=0.037,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= -0.594 K(o=-0.59,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0.882 (180deg=0.809) USER MOD Single : A 47 GLN : amide:sc= -0.922 K(o=-0.92,f=-2.3!) USER MOD Single : A 51 TYR OH : rot -154:sc= -0.612 USER MOD Single : A 59 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -0.691 K(o=-0.69,f=-6.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 170:sc= -0.596 (180deg=-0.915) USER MOD Single : A 79 SER OG : rot 64:sc= 1.21 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00784 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -132:sc= 0.0119 (180deg=-0.0573) USER MOD Single : A 94 ASN : amide:sc= 0.941 K(o=0.94,f=-8.3!) USER MOD Single : A 100 GLN : amide:sc= -0.927 K(o=-0.93,f=-4.8!) USER MOD Single : A 104 SER OG : rot -120:sc= 0.729 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -147:sc= 0.517 (180deg=-0.296) USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00893 USER MOD Single : A 115 THR OG1 : rot -160:sc= -0.19 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.0387 (180deg=-0.214) USER MOD Single : A 121 ASN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc=-0.00315 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.555 -2.224 -8.254 1.00 0.00 N ATOM 38 CA LYS A 4 -14.373 -1.773 -6.863 1.00 0.00 C ATOM 39 C LYS A 4 -14.006 -2.884 -5.863 1.00 0.00 C ATOM 40 O LYS A 4 -13.267 -2.647 -4.911 1.00 0.00 O ATOM 41 CB LYS A 4 -15.608 -1.014 -6.377 1.00 0.00 C ATOM 42 CG LYS A 4 -15.678 0.379 -7.004 1.00 0.00 C ATOM 43 CD LYS A 4 -16.894 1.186 -6.538 1.00 0.00 C ATOM 44 CE LYS A 4 -18.209 0.659 -7.109 1.00 0.00 C ATOM 45 NZ LYS A 4 -19.313 1.466 -6.571 1.00 0.00 N ATOM 0 HA LYS A 4 -13.508 -1.110 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.507 -1.576 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.581 -0.927 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.769 0.928 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.708 0.282 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.942 1.166 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.767 2.228 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.197 0.713 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.343 -0.390 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.216 1.117 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.324 1.392 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.182 2.460 -6.846 1.00 0.00 H new ATOM 50 N GLU A 5 -14.367 -4.125 -6.196 1.00 0.00 N ATOM 51 CA GLU A 5 -14.058 -5.288 -5.346 1.00 0.00 C ATOM 52 C GLU A 5 -12.656 -5.846 -5.665 1.00 0.00 C ATOM 53 O GLU A 5 -12.468 -6.906 -6.260 1.00 0.00 O ATOM 54 CB GLU A 5 -15.177 -6.329 -5.460 1.00 0.00 C ATOM 55 CG GLU A 5 -16.500 -5.838 -4.866 1.00 0.00 C ATOM 56 CD GLU A 5 -16.471 -5.606 -3.356 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.827 -6.559 -2.627 1.00 0.00 O ATOM 58 OE2 GLU A 5 -16.217 -4.440 -2.945 1.00 0.00 O ATOM 0 H GLU A 5 -14.875 -4.356 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.020 -4.981 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.326 -6.583 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.871 -7.243 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.781 -4.907 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.278 -6.566 -5.094 1.00 0.00 H new ATOM 60 N LEU A 6 -11.681 -4.997 -5.348 1.00 0.00 N ATOM 61 CA LEU A 6 -10.237 -5.216 -5.542 1.00 0.00 C ATOM 62 C LEU A 6 -9.578 -5.592 -4.208 1.00 0.00 C ATOM 63 O LEU A 6 -9.884 -4.997 -3.175 1.00 0.00 O ATOM 64 CB LEU A 6 -9.678 -3.890 -6.079 1.00 0.00 C ATOM 65 CG LEU A 6 -8.299 -3.981 -6.760 1.00 0.00 C ATOM 66 CD1 LEU A 6 -8.107 -2.771 -7.672 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.140 -4.057 -5.766 1.00 0.00 C ATOM 0 H LEU A 6 -11.880 -4.089 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.038 -6.033 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.391 -3.478 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.610 -3.183 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.286 -4.908 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.132 -2.831 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.889 -2.760 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.162 -1.857 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.198 -4.119 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.139 -3.165 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.256 -4.941 -5.139 1.00 0.00 H new ATOM 69 N LYS A 7 -8.708 -6.602 -4.253 1.00 0.00 N ATOM 70 CA LYS A 7 -7.963 -7.082 -3.065 1.00 0.00 C ATOM 71 C LYS A 7 -6.769 -6.211 -2.661 1.00 0.00 C ATOM 72 O LYS A 7 -5.745 -6.145 -3.338 1.00 0.00 O ATOM 73 CB LYS A 7 -7.513 -8.535 -3.224 1.00 0.00 C ATOM 74 CG LYS A 7 -8.646 -9.547 -3.092 1.00 0.00 C ATOM 75 CD LYS A 7 -8.104 -10.987 -3.037 1.00 0.00 C ATOM 76 CE LYS A 7 -7.409 -11.295 -1.711 1.00 0.00 C ATOM 77 NZ LYS A 7 -6.790 -12.625 -1.755 1.00 0.00 N ATOM 0 H LYS A 7 -8.493 -7.116 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.686 -7.009 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.042 -8.655 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.753 -8.754 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.221 -9.337 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.328 -9.445 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.925 -11.688 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.402 -11.140 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.650 -10.540 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.131 -11.250 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.764 -13.028 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.346 -13.246 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.821 -12.545 -2.123 1.00 0.00 H new ATOM 82 N PHE A 8 -6.952 -5.548 -1.519 1.00 0.00 N ATOM 83 CA PHE A 8 -5.973 -4.657 -0.873 1.00 0.00 C ATOM 84 C PHE A 8 -5.406 -5.242 0.417 1.00 0.00 C ATOM 85 O PHE A 8 -6.105 -5.939 1.164 1.00 0.00 O ATOM 86 CB PHE A 8 -6.644 -3.356 -0.416 1.00 0.00 C ATOM 87 CG PHE A 8 -6.987 -2.373 -1.529 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.108 -2.606 -2.349 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.208 -1.196 -1.663 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.457 -1.662 -3.316 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.566 -0.250 -2.646 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.673 -0.495 -3.479 1.00 0.00 C ATOM 0 H PHE A 8 -7.822 -5.617 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.196 -4.508 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.560 -3.608 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.986 -2.858 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.692 -3.507 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.355 -1.027 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.324 -1.822 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.993 0.658 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.927 0.215 -4.252 1.00 0.00 H new ATOM 94 N LEU A 9 -4.117 -4.999 0.641 1.00 0.00 N ATOM 95 CA LEU A 9 -3.500 -5.385 1.911 1.00 0.00 C ATOM 96 C LEU A 9 -2.990 -4.142 2.642 1.00 0.00 C ATOM 97 O LEU A 9 -2.059 -3.461 2.209 1.00 0.00 O ATOM 98 CB LEU A 9 -2.342 -6.357 1.733 1.00 0.00 C ATOM 99 CG LEU A 9 -2.308 -7.415 2.850 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.906 -7.996 2.857 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.546 -6.945 4.277 1.00 0.00 C ATOM 0 H LEU A 9 -3.489 -4.546 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.272 -5.888 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.428 -6.852 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.402 -5.805 1.726 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.129 -8.091 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.831 -8.755 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.695 -8.448 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.184 -7.203 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.493 -7.797 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.784 -6.215 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.532 -6.485 4.349 1.00 0.00 H new ATOM 103 N VAL A 10 -3.679 -3.842 3.736 1.00 0.00 N ATOM 104 CA VAL A 10 -3.332 -2.706 4.613 1.00 0.00 C ATOM 105 C VAL A 10 -2.278 -3.198 5.608 1.00 0.00 C ATOM 106 O VAL A 10 -2.535 -4.063 6.454 1.00 0.00 O ATOM 107 CB VAL A 10 -4.600 -2.134 5.281 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.252 -1.107 6.361 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.469 -1.444 4.240 1.00 0.00 C ATOM 0 H VAL A 10 -4.493 -4.371 4.049 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.907 -1.875 4.049 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.130 -2.970 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.169 -0.726 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.642 -1.580 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.697 -0.282 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.362 -1.043 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.908 -0.631 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.760 -2.163 3.475 1.00 0.00 H new ATOM 111 N VAL A 11 -1.066 -2.717 5.371 1.00 0.00 N ATOM 112 CA VAL A 11 0.115 -3.061 6.170 1.00 0.00 C ATOM 113 C VAL A 11 0.580 -1.804 6.934 1.00 0.00 C ATOM 114 O VAL A 11 1.349 -0.979 6.434 1.00 0.00 O ATOM 115 CB VAL A 11 1.255 -3.653 5.327 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.211 -4.396 6.272 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.783 -4.641 4.258 1.00 0.00 C ATOM 0 H VAL A 11 -0.866 -2.068 4.610 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.166 -3.844 6.875 1.00 0.00 H new ATOM 0 HB VAL A 11 1.733 -2.822 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.030 -4.826 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.611 -3.698 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.671 -5.192 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.643 -5.016 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.267 -5.474 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.102 -4.137 3.572 1.00 0.00 H new ATOM 119 N ASP A 12 0.099 -1.710 8.164 1.00 0.00 N ATOM 120 CA ASP A 12 0.403 -0.572 9.058 1.00 0.00 C ATOM 121 C ASP A 12 0.746 -1.067 10.468 1.00 0.00 C ATOM 122 O ASP A 12 -0.075 -1.713 11.113 1.00 0.00 O ATOM 123 CB ASP A 12 -0.791 0.390 9.044 1.00 0.00 C ATOM 124 CG ASP A 12 -0.495 1.712 9.751 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.628 1.726 10.993 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.050 2.647 9.052 1.00 0.00 O ATOM 0 H ASP A 12 -0.512 -2.411 8.582 1.00 0.00 H new ATOM 0 HA ASP A 12 1.283 -0.034 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.077 0.591 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.644 -0.090 9.523 1.00 0.00 H new ATOM 128 N ASP A 13 1.855 -0.531 10.993 1.00 0.00 N ATOM 129 CA ASP A 13 2.382 -0.895 12.319 1.00 0.00 C ATOM 130 C ASP A 13 1.468 -0.633 13.531 1.00 0.00 C ATOM 131 O ASP A 13 1.617 -1.273 14.569 1.00 0.00 O ATOM 132 CB ASP A 13 3.781 -0.291 12.522 1.00 0.00 C ATOM 133 CG ASP A 13 3.889 1.231 12.714 1.00 0.00 C ATOM 134 OD1 ASP A 13 2.875 1.927 12.467 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.962 1.657 13.178 1.00 0.00 O ATOM 0 H ASP A 13 2.416 0.171 10.510 1.00 0.00 H new ATOM 0 HA ASP A 13 2.437 -1.983 12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.228 -0.770 13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.390 -0.563 11.660 1.00 0.00 H new ATOM 137 N PHE A 14 0.556 0.324 13.378 1.00 0.00 N ATOM 138 CA PHE A 14 -0.404 0.693 14.432 1.00 0.00 C ATOM 139 C PHE A 14 -1.741 0.039 14.087 1.00 0.00 C ATOM 140 O PHE A 14 -2.409 0.429 13.127 1.00 0.00 O ATOM 141 CB PHE A 14 -0.548 2.220 14.458 1.00 0.00 C ATOM 142 CG PHE A 14 -1.043 2.780 15.793 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.409 2.409 17.002 1.00 0.00 C ATOM 144 CD2 PHE A 14 -2.045 3.779 15.771 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.780 3.042 18.211 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.427 4.405 16.984 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.793 4.034 18.194 1.00 0.00 C ATOM 0 H PHE A 14 0.456 0.870 12.522 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.068 0.357 15.413 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.417 2.669 14.224 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.239 2.522 13.671 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.355 1.646 17.002 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.514 4.061 14.840 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.296 2.772 19.138 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.198 5.161 16.985 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.085 4.513 19.117 1.00 0.00 H new ATOM 149 N SER A 15 -2.062 -1.020 14.829 1.00 0.00 N ATOM 150 CA SER A 15 -3.314 -1.810 14.672 1.00 0.00 C ATOM 151 C SER A 15 -4.570 -0.954 14.422 1.00 0.00 C ATOM 152 O SER A 15 -5.309 -1.184 13.463 1.00 0.00 O ATOM 153 CB SER A 15 -3.534 -2.720 15.883 1.00 0.00 C ATOM 154 OG SER A 15 -3.499 -1.953 17.086 1.00 0.00 O ATOM 0 H SER A 15 -1.459 -1.371 15.573 1.00 0.00 H new ATOM 0 HA SER A 15 -3.170 -2.411 13.774 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.494 -3.229 15.795 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.765 -3.492 15.912 1.00 0.00 H new ATOM 0 HG SER A 15 -3.642 -2.544 17.855 1.00 0.00 H new ATOM 157 N THR A 16 -4.702 0.103 15.209 1.00 0.00 N ATOM 158 CA THR A 16 -5.793 1.099 15.097 1.00 0.00 C ATOM 159 C THR A 16 -5.767 1.837 13.755 1.00 0.00 C ATOM 160 O THR A 16 -6.735 1.744 13.007 1.00 0.00 O ATOM 161 CB THR A 16 -5.759 2.091 16.263 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.454 2.129 16.858 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.824 1.767 17.305 1.00 0.00 C ATOM 0 H THR A 16 -4.048 0.310 15.964 1.00 0.00 H new ATOM 0 HA THR A 16 -6.731 0.546 15.144 1.00 0.00 H new ATOM 0 HB THR A 16 -5.983 3.080 15.864 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.001 2.959 16.601 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.770 2.491 18.118 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.810 1.812 16.843 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.654 0.765 17.700 1.00 0.00 H new ATOM 166 N MET A 17 -4.616 2.413 13.393 1.00 0.00 N ATOM 167 CA MET A 17 -4.453 3.135 12.102 1.00 0.00 C ATOM 168 C MET A 17 -4.701 2.177 10.921 1.00 0.00 C ATOM 169 O MET A 17 -5.375 2.533 9.948 1.00 0.00 O ATOM 170 CB MET A 17 -3.071 3.776 12.027 1.00 0.00 C ATOM 171 CG MET A 17 -3.008 4.985 11.092 1.00 0.00 C ATOM 172 SD MET A 17 -3.133 4.605 9.308 1.00 0.00 S ATOM 173 CE MET A 17 -4.301 5.845 8.806 1.00 0.00 C ATOM 0 H MET A 17 -3.775 2.400 13.969 1.00 0.00 H new ATOM 0 HA MET A 17 -5.192 3.934 12.042 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.768 4.084 13.027 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.351 3.030 11.692 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.813 5.670 11.357 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.070 5.511 11.269 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.639 5.636 7.791 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.155 5.835 9.483 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.826 6.826 8.836 1.00 0.00 H new ATOM 175 N ARG A 18 -4.224 0.936 11.064 1.00 0.00 N ATOM 176 CA ARG A 18 -4.409 -0.146 10.084 1.00 0.00 C ATOM 177 C ARG A 18 -5.902 -0.361 9.788 1.00 0.00 C ATOM 178 O ARG A 18 -6.325 -0.237 8.631 1.00 0.00 O ATOM 179 CB ARG A 18 -3.766 -1.410 10.675 1.00 0.00 C ATOM 180 CG ARG A 18 -3.828 -2.632 9.750 1.00 0.00 C ATOM 181 CD ARG A 18 -3.365 -3.889 10.471 1.00 0.00 C ATOM 182 NE ARG A 18 -4.298 -4.285 11.543 1.00 0.00 N ATOM 183 CZ ARG A 18 -4.189 -5.364 12.328 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.323 -6.344 12.078 1.00 0.00 N ATOM 185 NH2 ARG A 18 -5.079 -5.557 13.286 1.00 0.00 N ATOM 0 H ARG A 18 -3.686 0.647 11.881 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.936 0.106 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.723 -1.198 10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.263 -1.653 11.614 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.848 -2.769 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.203 -2.461 8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.269 -4.704 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.375 -3.720 10.895 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.103 -3.679 11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.712 -6.289 11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.271 -7.150 12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.837 -4.888 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.008 -6.375 13.891 1.00 0.00 H new ATOM 192 N ARG A 19 -6.696 -0.522 10.840 1.00 0.00 N ATOM 193 CA ARG A 19 -8.158 -0.713 10.673 1.00 0.00 C ATOM 194 C ARG A 19 -8.844 0.515 10.050 1.00 0.00 C ATOM 195 O ARG A 19 -9.689 0.353 9.173 1.00 0.00 O ATOM 196 CB ARG A 19 -8.856 -1.130 11.971 1.00 0.00 C ATOM 197 CG ARG A 19 -10.075 -1.931 11.494 1.00 0.00 C ATOM 198 CD ARG A 19 -11.189 -2.100 12.521 1.00 0.00 C ATOM 199 NE ARG A 19 -12.314 -2.667 11.746 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.544 -2.183 11.640 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.871 -0.964 12.057 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.400 -2.812 10.847 1.00 0.00 N ATOM 0 H ARG A 19 -6.373 -0.526 11.808 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.264 -1.540 9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.202 -1.734 12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.154 -0.263 12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.488 -1.441 10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.739 -2.920 11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.887 -2.765 13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.459 -1.147 12.976 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.122 -3.528 11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.163 -0.362 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.830 -0.631 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.106 -3.645 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.353 -2.463 10.746 1.00 0.00 H new ATOM 209 N ILE A 20 -8.383 1.718 10.405 1.00 0.00 N ATOM 210 CA ILE A 20 -8.917 2.974 9.840 1.00 0.00 C ATOM 211 C ILE A 20 -8.825 2.955 8.299 1.00 0.00 C ATOM 212 O ILE A 20 -9.839 3.106 7.633 1.00 0.00 O ATOM 213 CB ILE A 20 -8.222 4.200 10.477 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.436 4.283 11.997 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.554 5.543 9.790 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.896 4.290 12.486 1.00 0.00 C ATOM 0 H ILE A 20 -7.636 1.855 11.086 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.975 3.059 10.088 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.160 4.027 10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.925 3.439 12.460 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.950 5.188 12.361 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.027 6.351 10.297 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.242 5.505 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.628 5.722 9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.915 4.351 13.574 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.417 5.150 12.065 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.391 3.374 12.166 1.00 0.00 H new ATOM 218 N VAL A 21 -7.660 2.573 7.771 1.00 0.00 N ATOM 219 CA VAL A 21 -7.431 2.478 6.302 1.00 0.00 C ATOM 220 C VAL A 21 -8.414 1.463 5.676 1.00 0.00 C ATOM 221 O VAL A 21 -9.038 1.756 4.659 1.00 0.00 O ATOM 222 CB VAL A 21 -6.000 2.072 5.918 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.736 2.380 4.445 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.910 2.759 6.746 1.00 0.00 C ATOM 0 H VAL A 21 -6.847 2.320 8.332 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.597 3.483 5.914 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.945 1.002 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.718 2.087 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.440 1.825 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.861 3.448 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.930 2.418 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.982 3.839 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.042 2.510 7.799 1.00 0.00 H new ATOM 226 N ARG A 22 -8.568 0.312 6.342 1.00 0.00 N ATOM 227 CA ARG A 22 -9.507 -0.762 5.951 1.00 0.00 C ATOM 228 C ARG A 22 -10.939 -0.203 5.801 1.00 0.00 C ATOM 229 O ARG A 22 -11.490 -0.245 4.702 1.00 0.00 O ATOM 230 CB ARG A 22 -9.353 -1.862 7.020 1.00 0.00 C ATOM 231 CG ARG A 22 -10.307 -3.059 6.957 1.00 0.00 C ATOM 232 CD ARG A 22 -11.383 -2.974 8.033 1.00 0.00 C ATOM 233 NE ARG A 22 -11.586 -4.306 8.628 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.745 -4.901 8.900 1.00 0.00 C ATOM 235 NH1 ARG A 22 -13.906 -4.449 8.433 1.00 0.00 N ATOM 236 NH2 ARG A 22 -12.745 -6.089 9.494 1.00 0.00 N ATOM 0 H ARG A 22 -8.037 0.091 7.184 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.288 -1.188 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.333 -2.243 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.465 -1.396 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.776 -3.100 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.742 -3.983 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.088 -2.261 8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.316 -2.610 7.602 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.743 -4.832 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.929 -3.617 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.773 -4.934 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.862 -6.537 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.628 -6.553 9.707 1.00 0.00 H new ATOM 243 N ASN A 23 -11.384 0.531 6.826 1.00 0.00 N ATOM 244 CA ASN A 23 -12.714 1.193 6.844 1.00 0.00 C ATOM 245 C ASN A 23 -12.870 2.196 5.685 1.00 0.00 C ATOM 246 O ASN A 23 -13.852 2.150 4.948 1.00 0.00 O ATOM 247 CB ASN A 23 -12.917 1.925 8.186 1.00 0.00 C ATOM 248 CG ASN A 23 -12.828 1.022 9.422 1.00 0.00 C ATOM 249 OD1 ASN A 23 -13.442 -0.142 9.369 1.00 0.00 O flip ATOM 250 ND2 ASN A 23 -12.191 1.339 10.421 1.00 0.00 N flip ATOM 0 H ASN A 23 -10.839 0.690 7.673 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.470 0.417 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.169 2.713 8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.892 2.411 8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.717 2.241 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.135 0.700 11.214 1.00 0.00 H new ATOM 254 N LEU A 24 -11.823 3.004 5.467 1.00 0.00 N ATOM 255 CA LEU A 24 -11.758 4.009 4.386 1.00 0.00 C ATOM 256 C LEU A 24 -11.990 3.368 3.008 1.00 0.00 C ATOM 257 O LEU A 24 -12.888 3.758 2.264 1.00 0.00 O ATOM 258 CB LEU A 24 -10.390 4.704 4.395 1.00 0.00 C ATOM 259 CG LEU A 24 -10.122 5.534 5.642 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.749 6.219 5.543 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.184 6.590 5.963 1.00 0.00 C ATOM 0 H LEU A 24 -10.982 2.981 6.044 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.547 4.739 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.610 3.948 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.317 5.349 3.520 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.151 4.817 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.571 6.809 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.971 5.462 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.730 6.872 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.901 7.127 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.261 7.293 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.147 6.103 6.116 1.00 0.00 H new ATOM 263 N LEU A 25 -11.208 2.319 2.732 1.00 0.00 N ATOM 264 CA LEU A 25 -11.316 1.538 1.475 1.00 0.00 C ATOM 265 C LEU A 25 -12.734 1.003 1.228 1.00 0.00 C ATOM 266 O LEU A 25 -13.310 1.245 0.182 1.00 0.00 O ATOM 267 CB LEU A 25 -10.328 0.370 1.460 1.00 0.00 C ATOM 268 CG LEU A 25 -8.917 0.922 1.371 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.878 -0.151 1.691 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.604 1.531 -0.009 1.00 0.00 C ATOM 0 H LEU A 25 -10.483 1.981 3.364 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.073 2.233 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.441 -0.231 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.531 -0.285 0.613 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.862 1.717 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.878 0.277 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.040 -0.524 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.973 -0.973 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.582 1.910 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.712 0.766 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.296 2.349 -0.211 1.00 0.00 H new ATOM 272 N LYS A 26 -13.302 0.451 2.296 1.00 0.00 N ATOM 273 CA LYS A 26 -14.693 -0.082 2.297 1.00 0.00 C ATOM 274 C LYS A 26 -15.710 1.004 1.881 1.00 0.00 C ATOM 275 O LYS A 26 -16.408 0.846 0.886 1.00 0.00 O ATOM 276 CB LYS A 26 -15.058 -0.652 3.675 1.00 0.00 C ATOM 277 CG LYS A 26 -14.134 -1.806 4.063 1.00 0.00 C ATOM 278 CD LYS A 26 -14.389 -2.301 5.493 1.00 0.00 C ATOM 279 CE LYS A 26 -15.573 -3.258 5.596 1.00 0.00 C ATOM 280 NZ LYS A 26 -15.248 -4.517 4.901 1.00 0.00 N ATOM 0 H LYS A 26 -12.826 0.353 3.193 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.737 -0.887 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.993 0.136 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.091 -0.999 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.274 -2.631 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.097 -1.484 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.493 -2.800 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.566 -1.443 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.804 -3.457 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.460 -2.805 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.853 -5.281 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.412 -4.403 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.250 -4.757 5.066 1.00 0.00 H new ATOM 285 N GLU A 27 -15.543 2.185 2.484 1.00 0.00 N ATOM 286 CA GLU A 27 -16.338 3.405 2.234 1.00 0.00 C ATOM 287 C GLU A 27 -16.245 3.857 0.758 1.00 0.00 C ATOM 288 O GLU A 27 -17.233 4.246 0.153 1.00 0.00 O ATOM 289 CB GLU A 27 -15.762 4.474 3.168 1.00 0.00 C ATOM 290 CG GLU A 27 -16.195 4.304 4.630 1.00 0.00 C ATOM 291 CD GLU A 27 -15.334 5.144 5.578 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.379 6.389 5.459 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.667 4.530 6.431 1.00 0.00 O ATOM 0 H GLU A 27 -14.822 2.330 3.190 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.396 3.226 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.674 4.445 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.073 5.458 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.241 4.593 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.125 3.253 4.910 1.00 0.00 H new ATOM 295 N LEU A 28 -15.027 3.751 0.227 1.00 0.00 N ATOM 296 CA LEU A 28 -14.661 4.059 -1.175 1.00 0.00 C ATOM 297 C LEU A 28 -15.197 3.056 -2.218 1.00 0.00 C ATOM 298 O LEU A 28 -15.115 3.290 -3.421 1.00 0.00 O ATOM 299 CB LEU A 28 -13.127 4.084 -1.249 1.00 0.00 C ATOM 300 CG LEU A 28 -12.513 5.470 -1.076 1.00 0.00 C ATOM 301 CD1 LEU A 28 -12.823 6.167 0.249 1.00 0.00 C ATOM 302 CD2 LEU A 28 -10.992 5.365 -1.218 1.00 0.00 C ATOM 0 H LEU A 28 -14.228 3.436 0.777 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.120 5.015 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.727 3.424 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.815 3.678 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.970 6.083 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.339 7.144 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.901 6.294 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.450 5.561 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.546 6.352 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.601 4.693 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.745 4.975 -2.205 1.00 0.00 H new ATOM 304 N GLY A 29 -15.618 1.889 -1.731 1.00 0.00 N ATOM 305 CA GLY A 29 -16.147 0.767 -2.536 1.00 0.00 C ATOM 306 C GLY A 29 -15.197 -0.446 -2.625 1.00 0.00 C ATOM 307 O GLY A 29 -15.621 -1.544 -3.005 1.00 0.00 O ATOM 0 H GLY A 29 -15.603 1.683 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.095 0.442 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.358 1.125 -3.544 1.00 0.00 H new ATOM 309 N PHE A 30 -13.996 -0.276 -2.076 1.00 0.00 N ATOM 310 CA PHE A 30 -12.930 -1.290 -2.070 1.00 0.00 C ATOM 311 C PHE A 30 -12.982 -2.138 -0.787 1.00 0.00 C ATOM 312 O PHE A 30 -12.092 -2.141 0.061 1.00 0.00 O ATOM 313 CB PHE A 30 -11.573 -0.579 -2.218 1.00 0.00 C ATOM 314 CG PHE A 30 -11.426 0.294 -3.464 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.382 -0.286 -4.749 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.176 1.679 -3.292 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.075 0.514 -5.869 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.871 2.486 -4.404 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.815 1.893 -5.690 1.00 0.00 C ATOM 0 H PHE A 30 -13.725 0.590 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.071 -1.974 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.409 0.042 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.786 -1.333 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.583 -1.340 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.220 2.116 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.039 0.077 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.682 3.542 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.570 2.503 -6.547 1.00 0.00 H new ATOM 321 N ASN A 31 -14.061 -2.911 -0.721 1.00 0.00 N ATOM 322 CA ASN A 31 -14.383 -3.806 0.408 1.00 0.00 C ATOM 323 C ASN A 31 -13.488 -5.040 0.596 1.00 0.00 C ATOM 324 O ASN A 31 -13.407 -5.566 1.712 1.00 0.00 O ATOM 325 CB ASN A 31 -15.850 -4.236 0.326 1.00 0.00 C ATOM 326 CG ASN A 31 -16.782 -3.033 0.516 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.105 -2.618 1.611 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.194 -2.429 -0.580 1.00 0.00 N ATOM 0 H ASN A 31 -14.759 -2.940 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.183 -3.199 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.043 -4.702 -0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.057 -4.986 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.790 -1.604 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.917 -2.786 -1.494 1.00 0.00 H new ATOM 332 N ASN A 32 -12.687 -5.369 -0.415 1.00 0.00 N ATOM 333 CA ASN A 32 -11.829 -6.571 -0.349 1.00 0.00 C ATOM 334 C ASN A 32 -10.450 -6.171 0.193 1.00 0.00 C ATOM 335 O ASN A 32 -9.492 -5.927 -0.535 1.00 0.00 O ATOM 336 CB ASN A 32 -11.756 -7.246 -1.721 1.00 0.00 C ATOM 337 CG ASN A 32 -13.151 -7.675 -2.204 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.983 -6.871 -2.581 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.440 -8.955 -2.130 1.00 0.00 N ATOM 0 H ASN A 32 -12.607 -4.836 -1.281 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.254 -7.306 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.313 -6.560 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.103 -8.117 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.370 -9.284 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.734 -9.620 -1.813 1.00 0.00 H new ATOM 343 N VAL A 33 -10.421 -6.003 1.509 1.00 0.00 N ATOM 344 CA VAL A 33 -9.198 -5.578 2.220 1.00 0.00 C ATOM 345 C VAL A 33 -8.795 -6.497 3.385 1.00 0.00 C ATOM 346 O VAL A 33 -9.594 -6.838 4.257 1.00 0.00 O ATOM 347 CB VAL A 33 -9.343 -4.081 2.580 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.613 -3.745 3.383 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.094 -3.537 3.266 1.00 0.00 C ATOM 0 H VAL A 33 -11.227 -6.152 2.116 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.339 -5.686 1.557 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.457 -3.572 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.638 -2.676 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.494 -4.021 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.608 -4.300 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.238 -2.483 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.913 -4.093 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.237 -3.646 2.601 1.00 0.00 H new ATOM 351 N GLU A 34 -7.515 -6.856 3.362 1.00 0.00 N ATOM 352 CA GLU A 34 -6.863 -7.717 4.370 1.00 0.00 C ATOM 353 C GLU A 34 -5.955 -6.821 5.244 1.00 0.00 C ATOM 354 O GLU A 34 -5.481 -5.770 4.807 1.00 0.00 O ATOM 355 CB GLU A 34 -6.084 -8.756 3.570 1.00 0.00 C ATOM 356 CG GLU A 34 -6.006 -10.150 4.213 1.00 0.00 C ATOM 357 CD GLU A 34 -5.012 -10.223 5.381 1.00 0.00 C ATOM 358 OE1 GLU A 34 -3.868 -9.754 5.206 1.00 0.00 O ATOM 359 OE2 GLU A 34 -5.474 -10.605 6.476 1.00 0.00 O ATOM 0 H GLU A 34 -6.877 -6.553 2.626 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.554 -8.223 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.542 -8.852 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.070 -8.387 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.996 -10.435 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.719 -10.878 3.454 1.00 0.00 H new ATOM 361 N GLU A 35 -5.680 -7.286 6.463 1.00 0.00 N ATOM 362 CA GLU A 35 -4.887 -6.525 7.435 1.00 0.00 C ATOM 363 C GLU A 35 -3.642 -7.210 8.000 1.00 0.00 C ATOM 364 O GLU A 35 -3.693 -8.339 8.487 1.00 0.00 O ATOM 365 CB GLU A 35 -5.785 -6.108 8.603 1.00 0.00 C ATOM 366 CG GLU A 35 -6.780 -4.997 8.237 1.00 0.00 C ATOM 367 CD GLU A 35 -7.729 -4.727 9.409 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.311 -4.021 10.343 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.856 -5.274 9.340 1.00 0.00 O ATOM 0 H GLU A 35 -5.997 -8.193 6.805 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.506 -5.679 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.337 -6.979 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.160 -5.769 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.240 -4.086 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.352 -5.288 7.356 1.00 0.00 H new ATOM 371 N ALA A 36 -2.516 -6.531 7.783 1.00 0.00 N ATOM 372 CA ALA A 36 -1.182 -6.915 8.281 1.00 0.00 C ATOM 373 C ALA A 36 -0.544 -5.685 8.969 1.00 0.00 C ATOM 374 O ALA A 36 -0.893 -4.552 8.677 1.00 0.00 O ATOM 375 CB ALA A 36 -0.293 -7.363 7.122 1.00 0.00 C ATOM 0 H ALA A 36 -2.500 -5.669 7.238 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.279 -7.740 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.689 -7.644 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.748 -8.220 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.185 -6.545 6.409 1.00 0.00 H new ATOM 377 N GLU A 37 0.416 -5.923 9.862 1.00 0.00 N ATOM 378 CA GLU A 37 1.066 -4.795 10.582 1.00 0.00 C ATOM 379 C GLU A 37 2.485 -4.424 10.135 1.00 0.00 C ATOM 380 O GLU A 37 2.775 -3.258 9.882 1.00 0.00 O ATOM 381 CB GLU A 37 1.010 -4.971 12.104 1.00 0.00 C ATOM 382 CG GLU A 37 -0.384 -4.627 12.621 1.00 0.00 C ATOM 383 CD GLU A 37 -0.515 -4.737 14.141 1.00 0.00 C ATOM 384 OE1 GLU A 37 -0.745 -5.864 14.606 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.399 -3.674 14.802 1.00 0.00 O ATOM 0 H GLU A 37 0.762 -6.850 10.109 1.00 0.00 H new ATOM 0 HA GLU A 37 0.455 -3.942 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.261 -5.998 12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.751 -4.329 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.636 -3.612 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.111 -5.291 12.153 1.00 0.00 H new ATOM 387 N ASP A 38 3.285 -5.443 9.864 1.00 0.00 N ATOM 388 CA ASP A 38 4.697 -5.242 9.474 1.00 0.00 C ATOM 389 C ASP A 38 5.046 -6.043 8.213 1.00 0.00 C ATOM 390 O ASP A 38 4.408 -7.058 7.960 1.00 0.00 O ATOM 391 CB ASP A 38 5.581 -5.653 10.644 1.00 0.00 C ATOM 392 CG ASP A 38 5.352 -4.791 11.892 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.211 -3.563 11.730 1.00 0.00 O ATOM 394 OD2 ASP A 38 5.320 -5.401 12.976 1.00 0.00 O ATOM 0 H ASP A 38 2.994 -6.420 9.903 1.00 0.00 H new ATOM 0 HA ASP A 38 4.863 -4.191 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.389 -6.698 10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.627 -5.582 10.346 1.00 0.00 H new ATOM 396 N GLY A 39 6.153 -5.648 7.586 1.00 0.00 N ATOM 397 CA GLY A 39 6.670 -6.266 6.340 1.00 0.00 C ATOM 398 C GLY A 39 6.627 -7.798 6.283 1.00 0.00 C ATOM 399 O GLY A 39 6.068 -8.351 5.343 1.00 0.00 O ATOM 0 H GLY A 39 6.733 -4.880 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.098 -5.874 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.702 -5.946 6.200 1.00 0.00 H new ATOM 401 N VAL A 40 7.150 -8.451 7.323 1.00 0.00 N ATOM 402 CA VAL A 40 7.157 -9.936 7.393 1.00 0.00 C ATOM 403 C VAL A 40 5.729 -10.513 7.319 1.00 0.00 C ATOM 404 O VAL A 40 5.407 -11.193 6.342 1.00 0.00 O ATOM 405 CB VAL A 40 7.927 -10.428 8.633 1.00 0.00 C ATOM 406 CG1 VAL A 40 7.911 -11.947 8.739 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.387 -9.964 8.597 1.00 0.00 C ATOM 0 H VAL A 40 7.574 -7.990 8.128 1.00 0.00 H new ATOM 0 HA VAL A 40 7.688 -10.312 6.518 1.00 0.00 H new ATOM 0 HB VAL A 40 7.422 -10.000 9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.464 -12.256 9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.881 -12.296 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.376 -12.378 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.906 -10.326 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.873 -10.361 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.422 -8.875 8.575 1.00 0.00 H new ATOM 409 N ASP A 41 4.854 -10.027 8.204 1.00 0.00 N ATOM 410 CA ASP A 41 3.438 -10.455 8.272 1.00 0.00 C ATOM 411 C ASP A 41 2.717 -10.198 6.930 1.00 0.00 C ATOM 412 O ASP A 41 1.966 -11.032 6.449 1.00 0.00 O ATOM 413 CB ASP A 41 2.679 -9.720 9.381 1.00 0.00 C ATOM 414 CG ASP A 41 3.365 -9.826 10.751 1.00 0.00 C ATOM 415 OD1 ASP A 41 4.273 -8.984 10.959 1.00 0.00 O ATOM 416 OD2 ASP A 41 2.977 -10.709 11.535 1.00 0.00 O ATOM 0 H ASP A 41 5.100 -9.323 8.900 1.00 0.00 H new ATOM 0 HA ASP A 41 3.445 -11.523 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.581 -8.669 9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.670 -10.126 9.454 1.00 0.00 H new ATOM 418 N ALA A 42 3.088 -9.078 6.316 1.00 0.00 N ATOM 419 CA ALA A 42 2.574 -8.637 5.008 1.00 0.00 C ATOM 420 C ALA A 42 2.915 -9.650 3.914 1.00 0.00 C ATOM 421 O ALA A 42 1.993 -10.234 3.370 1.00 0.00 O ATOM 422 CB ALA A 42 3.181 -7.297 4.637 1.00 0.00 C ATOM 0 H ALA A 42 3.769 -8.433 6.717 1.00 0.00 H new ATOM 0 HA ALA A 42 1.490 -8.550 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.795 -6.979 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.919 -6.557 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.266 -7.391 4.582 1.00 0.00 H new ATOM 424 N LEU A 43 4.198 -9.995 3.778 1.00 0.00 N ATOM 425 CA LEU A 43 4.636 -10.968 2.773 1.00 0.00 C ATOM 426 C LEU A 43 4.013 -12.361 2.978 1.00 0.00 C ATOM 427 O LEU A 43 3.500 -12.944 2.018 1.00 0.00 O ATOM 428 CB LEU A 43 6.156 -11.007 2.682 1.00 0.00 C ATOM 429 CG LEU A 43 6.521 -10.847 1.204 1.00 0.00 C ATOM 430 CD1 LEU A 43 6.363 -9.410 0.693 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.973 -11.269 0.979 1.00 0.00 C ATOM 0 H LEU A 43 4.952 -9.615 4.351 1.00 0.00 H new ATOM 0 HA LEU A 43 4.261 -10.629 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.598 -10.208 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.542 -11.948 3.075 1.00 0.00 H new ATOM 0 HG LEU A 43 5.828 -11.481 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.638 -9.366 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.327 -9.094 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.012 -8.747 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.227 -11.153 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.631 -10.643 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.098 -12.312 1.269 1.00 0.00 H new ATOM 433 N ASN A 44 3.884 -12.750 4.242 1.00 0.00 N ATOM 434 CA ASN A 44 3.225 -14.005 4.653 1.00 0.00 C ATOM 435 C ASN A 44 1.770 -14.064 4.137 1.00 0.00 C ATOM 436 O ASN A 44 1.335 -15.070 3.566 1.00 0.00 O ATOM 437 CB ASN A 44 3.244 -14.104 6.179 1.00 0.00 C ATOM 438 CG ASN A 44 4.655 -14.292 6.767 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.010 -13.714 7.779 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.509 -15.025 6.087 1.00 0.00 N ATOM 0 H ASN A 44 4.236 -12.202 5.027 1.00 0.00 H new ATOM 0 HA ASN A 44 3.768 -14.845 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.802 -13.201 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.616 -14.940 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.474 -15.112 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.207 -15.507 5.240 1.00 0.00 H new ATOM 444 N LYS A 45 1.048 -12.988 4.403 1.00 0.00 N ATOM 445 CA LYS A 45 -0.342 -12.771 3.950 1.00 0.00 C ATOM 446 C LYS A 45 -0.447 -12.593 2.423 1.00 0.00 C ATOM 447 O LYS A 45 -1.259 -13.257 1.782 1.00 0.00 O ATOM 448 CB LYS A 45 -0.868 -11.567 4.743 1.00 0.00 C ATOM 449 CG LYS A 45 -1.374 -12.095 6.087 1.00 0.00 C ATOM 450 CD LYS A 45 -1.552 -10.999 7.133 1.00 0.00 C ATOM 451 CE LYS A 45 -2.026 -11.627 8.447 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.130 -10.597 9.493 1.00 0.00 N ATOM 0 H LYS A 45 1.411 -12.211 4.955 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.959 -13.648 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.079 -10.830 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.670 -11.069 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.327 -12.602 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.673 -12.839 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.611 -10.471 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.277 -10.263 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.994 -12.107 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.329 -12.404 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.610 -10.995 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.177 -10.278 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.677 -9.789 9.132 1.00 0.00 H new ATOM 457 N LEU A 46 0.475 -11.820 1.863 1.00 0.00 N ATOM 458 CA LEU A 46 0.614 -11.519 0.424 1.00 0.00 C ATOM 459 C LEU A 46 0.841 -12.750 -0.467 1.00 0.00 C ATOM 460 O LEU A 46 0.177 -12.887 -1.498 1.00 0.00 O ATOM 461 CB LEU A 46 1.760 -10.552 0.138 1.00 0.00 C ATOM 462 CG LEU A 46 1.349 -9.083 0.303 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.572 -8.174 0.385 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.409 -8.659 -0.837 1.00 0.00 C ATOM 0 H LEU A 46 1.190 -11.356 2.422 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.350 -11.074 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.591 -10.770 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.121 -10.712 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 46 0.808 -8.981 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.249 -7.139 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.183 -8.462 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.159 -8.270 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.126 -7.615 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.919 -8.780 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.485 -9.282 -0.822 1.00 0.00 H new ATOM 466 N GLN A 47 1.733 -13.640 -0.035 1.00 0.00 N ATOM 467 CA GLN A 47 2.093 -14.876 -0.781 1.00 0.00 C ATOM 468 C GLN A 47 0.923 -15.828 -1.092 1.00 0.00 C ATOM 469 O GLN A 47 1.050 -16.708 -1.930 1.00 0.00 O ATOM 470 CB GLN A 47 3.299 -15.587 -0.139 1.00 0.00 C ATOM 471 CG GLN A 47 3.069 -16.136 1.273 1.00 0.00 C ATOM 472 CD GLN A 47 4.366 -16.578 1.938 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.041 -15.841 2.664 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.720 -17.839 1.791 1.00 0.00 N ATOM 0 H GLN A 47 2.237 -13.536 0.846 1.00 0.00 H new ATOM 0 HA GLN A 47 2.395 -14.532 -1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.598 -16.412 -0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.135 -14.888 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.592 -15.371 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.381 -16.980 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.170 -18.457 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.544 -18.197 2.274 1.00 0.00 H new ATOM 478 N ALA A 48 -0.211 -15.610 -0.415 1.00 0.00 N ATOM 479 CA ALA A 48 -1.465 -16.348 -0.652 1.00 0.00 C ATOM 480 C ALA A 48 -2.071 -16.047 -2.046 1.00 0.00 C ATOM 481 O ALA A 48 -2.850 -16.836 -2.569 1.00 0.00 O ATOM 482 CB ALA A 48 -2.471 -15.995 0.444 1.00 0.00 C ATOM 0 H ALA A 48 -0.288 -14.909 0.322 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.237 -17.414 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.400 -16.538 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.062 -16.271 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.668 -14.923 0.425 1.00 0.00 H new ATOM 484 N GLY A 49 -1.712 -14.886 -2.592 1.00 0.00 N ATOM 485 CA GLY A 49 -2.146 -14.400 -3.921 1.00 0.00 C ATOM 486 C GLY A 49 -3.438 -13.572 -3.885 1.00 0.00 C ATOM 487 O GLY A 49 -3.916 -13.158 -2.831 1.00 0.00 O ATOM 0 H GLY A 49 -1.093 -14.231 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.350 -13.795 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.292 -15.255 -4.581 1.00 0.00 H new ATOM 489 N GLY A 50 -3.843 -13.163 -5.083 1.00 0.00 N ATOM 490 CA GLY A 50 -5.076 -12.378 -5.325 1.00 0.00 C ATOM 491 C GLY A 50 -4.975 -10.863 -5.077 1.00 0.00 C ATOM 492 O GLY A 50 -5.769 -10.107 -5.642 1.00 0.00 O ATOM 0 H GLY A 50 -3.323 -13.365 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.386 -12.536 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.867 -12.777 -4.690 1.00 0.00 H new ATOM 494 N TYR A 51 -4.056 -10.438 -4.202 1.00 0.00 N ATOM 495 CA TYR A 51 -3.860 -9.011 -3.867 1.00 0.00 C ATOM 496 C TYR A 51 -3.376 -8.168 -5.053 1.00 0.00 C ATOM 497 O TYR A 51 -2.223 -8.271 -5.469 1.00 0.00 O ATOM 498 CB TYR A 51 -2.883 -8.821 -2.704 1.00 0.00 C ATOM 499 CG TYR A 51 -3.300 -9.588 -1.450 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.205 -9.006 -0.542 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.710 -10.850 -1.230 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.496 -9.713 0.649 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.011 -11.542 -0.053 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.890 -10.962 0.886 1.00 0.00 C ATOM 505 OH TYR A 51 -3.972 -11.535 2.112 1.00 0.00 O ATOM 0 H TYR A 51 -3.426 -11.067 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.850 -8.660 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.890 -9.149 -3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.809 -7.760 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.663 -8.050 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.036 -11.275 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.180 -9.296 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.575 -12.512 0.136 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.208 -12.135 2.245 1.00 0.00 H new ATOM 508 N GLY A 52 -4.274 -7.304 -5.503 1.00 0.00 N ATOM 509 CA GLY A 52 -4.007 -6.372 -6.619 1.00 0.00 C ATOM 510 C GLY A 52 -3.586 -4.973 -6.130 1.00 0.00 C ATOM 511 O GLY A 52 -3.699 -4.024 -6.903 1.00 0.00 O ATOM 0 H GLY A 52 -5.213 -7.219 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.221 -6.784 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.901 -6.284 -7.237 1.00 0.00 H new ATOM 513 N PHE A 53 -3.268 -4.857 -4.835 1.00 0.00 N ATOM 514 CA PHE A 53 -2.827 -3.601 -4.204 1.00 0.00 C ATOM 515 C PHE A 53 -2.270 -3.830 -2.786 1.00 0.00 C ATOM 516 O PHE A 53 -2.807 -4.604 -1.999 1.00 0.00 O ATOM 517 CB PHE A 53 -4.017 -2.646 -4.083 1.00 0.00 C ATOM 518 CG PHE A 53 -3.641 -1.192 -4.368 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.792 -0.481 -3.488 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.165 -0.583 -5.528 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.448 0.857 -3.777 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.821 0.755 -5.817 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.971 1.461 -4.944 1.00 0.00 C ATOM 0 H PHE A 53 -3.309 -5.642 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.040 -3.186 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.799 -2.957 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.434 -2.718 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.409 -0.960 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.821 -1.134 -6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.796 1.411 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.208 1.235 -6.704 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.713 2.485 -5.170 1.00 0.00 H new ATOM 525 N VAL A 54 -1.206 -3.086 -2.485 1.00 0.00 N ATOM 526 CA VAL A 54 -0.538 -3.116 -1.165 1.00 0.00 C ATOM 527 C VAL A 54 -0.386 -1.669 -0.660 1.00 0.00 C ATOM 528 O VAL A 54 0.201 -0.812 -1.323 1.00 0.00 O ATOM 529 CB VAL A 54 0.860 -3.788 -1.240 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.438 -4.000 0.168 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.818 -5.148 -1.936 1.00 0.00 C ATOM 0 H VAL A 54 -0.774 -2.440 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.149 -3.705 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 54 1.488 -3.111 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.418 -4.472 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.537 -3.037 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.770 -4.641 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.821 -5.575 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.153 -5.816 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.450 -5.024 -2.955 1.00 0.00 H new ATOM 533 N ILE A 55 -0.950 -1.433 0.519 1.00 0.00 N ATOM 534 CA ILE A 55 -0.873 -0.112 1.200 1.00 0.00 C ATOM 535 C ILE A 55 0.012 -0.344 2.436 1.00 0.00 C ATOM 536 O ILE A 55 -0.421 -0.945 3.414 1.00 0.00 O ATOM 537 CB ILE A 55 -2.285 0.438 1.524 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.064 0.721 0.229 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.169 1.705 2.397 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.541 1.093 0.437 1.00 0.00 C ATOM 0 H ILE A 55 -1.474 -2.136 1.040 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.434 0.662 0.571 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.840 -0.314 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.571 1.533 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.012 -0.160 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.166 2.085 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.657 1.460 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.602 2.466 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.010 1.275 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.055 0.275 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.607 1.994 1.047 1.00 0.00 H new ATOM 542 N SER A 56 1.270 0.090 2.335 1.00 0.00 N ATOM 543 CA SER A 56 2.254 -0.117 3.414 1.00 0.00 C ATOM 544 C SER A 56 2.914 1.134 3.999 1.00 0.00 C ATOM 545 O SER A 56 3.430 2.008 3.323 1.00 0.00 O ATOM 546 CB SER A 56 3.326 -1.117 2.985 1.00 0.00 C ATOM 547 OG SER A 56 4.369 -1.243 3.959 1.00 0.00 O ATOM 0 H SER A 56 1.636 0.586 1.522 1.00 0.00 H new ATOM 0 HA SER A 56 1.650 -0.510 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.866 -2.091 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.755 -0.801 2.034 1.00 0.00 H new ATOM 0 HG SER A 56 3.992 -1.136 4.857 1.00 0.00 H new ATOM 550 N ASP A 57 2.924 1.099 5.331 1.00 0.00 N ATOM 551 CA ASP A 57 3.509 2.125 6.211 1.00 0.00 C ATOM 552 C ASP A 57 5.043 2.051 6.189 1.00 0.00 C ATOM 553 O ASP A 57 5.635 1.028 6.503 1.00 0.00 O ATOM 554 CB ASP A 57 2.932 1.837 7.597 1.00 0.00 C ATOM 555 CG ASP A 57 3.338 2.753 8.750 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.176 3.659 8.533 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.778 2.486 9.839 1.00 0.00 O ATOM 0 H ASP A 57 2.510 0.327 5.853 1.00 0.00 H new ATOM 0 HA ASP A 57 3.266 3.138 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.845 1.863 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.208 0.818 7.868 1.00 0.00 H new ATOM 559 N TRP A 58 5.668 3.200 5.933 1.00 0.00 N ATOM 560 CA TRP A 58 7.137 3.372 5.898 1.00 0.00 C ATOM 561 C TRP A 58 7.771 2.917 7.226 1.00 0.00 C ATOM 562 O TRP A 58 8.635 2.035 7.246 1.00 0.00 O ATOM 563 CB TRP A 58 7.460 4.842 5.629 1.00 0.00 C ATOM 564 CG TRP A 58 8.868 5.042 5.044 1.00 0.00 C ATOM 565 CD1 TRP A 58 10.016 5.137 5.721 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.165 5.196 3.700 1.00 0.00 C ATOM 567 NE1 TRP A 58 11.024 5.335 4.872 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.557 5.388 3.622 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.370 5.149 2.535 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.189 5.517 2.359 1.00 0.00 C ATOM 571 CZ3 TRP A 58 9.003 5.248 1.283 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.406 5.427 1.204 1.00 0.00 C ATOM 0 H TRP A 58 5.162 4.064 5.738 1.00 0.00 H new ATOM 0 HA TRP A 58 7.552 2.755 5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.723 5.252 4.939 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.374 5.405 6.558 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.112 5.064 6.794 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.004 5.431 5.137 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.298 5.039 2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.254 5.682 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.417 5.187 0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.879 5.495 0.235 1.00 0.00 H new ATOM 575 N ASN A 59 7.118 3.321 8.308 1.00 0.00 N ATOM 576 CA ASN A 59 7.511 3.025 9.698 1.00 0.00 C ATOM 577 C ASN A 59 6.820 1.726 10.150 1.00 0.00 C ATOM 578 O ASN A 59 5.611 1.690 10.370 1.00 0.00 O ATOM 579 CB ASN A 59 7.074 4.203 10.592 1.00 0.00 C ATOM 580 CG ASN A 59 7.686 5.568 10.253 1.00 0.00 C ATOM 581 OD1 ASN A 59 7.912 5.957 9.108 1.00 0.00 O ATOM 582 ND2 ASN A 59 7.855 6.397 11.251 1.00 0.00 N ATOM 0 H ASN A 59 6.269 3.884 8.250 1.00 0.00 H new ATOM 0 HA ASN A 59 8.591 2.895 9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.989 4.290 10.539 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.324 3.961 11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.170 7.351 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.672 6.089 12.206 1.00 0.00 H new ATOM 586 N MET A 60 7.559 0.633 9.992 1.00 0.00 N ATOM 587 CA MET A 60 7.114 -0.723 10.367 1.00 0.00 C ATOM 588 C MET A 60 8.231 -1.588 10.987 1.00 0.00 C ATOM 589 O MET A 60 9.314 -1.663 10.393 1.00 0.00 O ATOM 590 CB MET A 60 6.522 -1.478 9.168 1.00 0.00 C ATOM 591 CG MET A 60 5.138 -0.994 8.763 1.00 0.00 C ATOM 592 SD MET A 60 4.302 -1.978 7.457 1.00 0.00 S ATOM 593 CE MET A 60 5.638 -2.470 6.376 1.00 0.00 C ATOM 0 H MET A 60 8.498 0.654 9.595 1.00 0.00 H new ATOM 0 HA MET A 60 6.347 -0.563 11.125 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.196 -1.376 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.470 -2.540 9.408 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.503 -0.985 9.649 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.220 0.037 8.419 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.233 -3.007 5.518 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.172 -1.584 6.031 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.325 -3.119 6.919 1.00 0.00 H new ATOM 595 N PRO A 61 8.041 -2.085 12.223 1.00 0.00 N ATOM 596 CA PRO A 61 8.996 -3.003 12.881 1.00 0.00 C ATOM 597 C PRO A 61 9.261 -4.233 12.010 1.00 0.00 C ATOM 598 O PRO A 61 8.448 -4.571 11.136 1.00 0.00 O ATOM 599 CB PRO A 61 8.285 -3.392 14.182 1.00 0.00 C ATOM 600 CG PRO A 61 7.565 -2.101 14.560 1.00 0.00 C ATOM 601 CD PRO A 61 7.089 -1.552 13.212 1.00 0.00 C ATOM 0 HA PRO A 61 9.971 -2.548 13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.588 -4.217 14.033 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.990 -3.705 14.952 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.730 -2.289 15.235 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.232 -1.402 15.066 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.071 -1.874 12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.086 -0.462 13.209 1.00 0.00 H new ATOM 602 N ASN A 62 10.392 -4.885 12.270 1.00 0.00 N ATOM 603 CA ASN A 62 10.937 -6.059 11.547 1.00 0.00 C ATOM 604 C ASN A 62 11.356 -5.707 10.106 1.00 0.00 C ATOM 605 O ASN A 62 12.537 -5.491 9.854 1.00 0.00 O ATOM 606 CB ASN A 62 10.156 -7.381 11.691 1.00 0.00 C ATOM 607 CG ASN A 62 8.677 -7.424 11.275 1.00 0.00 C ATOM 608 OD1 ASN A 62 8.292 -7.261 10.121 1.00 0.00 O ATOM 609 ND2 ASN A 62 7.828 -7.748 12.214 1.00 0.00 N ATOM 0 H ASN A 62 11.000 -4.599 13.038 1.00 0.00 H new ATOM 0 HA ASN A 62 11.852 -6.307 12.085 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.683 -8.139 11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.212 -7.684 12.737 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.840 -7.867 11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.153 -7.882 13.171 1.00 0.00 H new ATOM 613 N MET A 63 10.374 -5.488 9.237 1.00 0.00 N ATOM 614 CA MET A 63 10.601 -5.084 7.836 1.00 0.00 C ATOM 615 C MET A 63 9.754 -3.844 7.510 1.00 0.00 C ATOM 616 O MET A 63 8.526 -3.864 7.637 1.00 0.00 O ATOM 617 CB MET A 63 10.347 -6.269 6.899 1.00 0.00 C ATOM 618 CG MET A 63 10.778 -5.966 5.460 1.00 0.00 C ATOM 619 SD MET A 63 10.986 -7.418 4.368 1.00 0.00 S ATOM 620 CE MET A 63 9.298 -7.905 4.072 1.00 0.00 C ATOM 0 H MET A 63 9.388 -5.584 9.478 1.00 0.00 H new ATOM 0 HA MET A 63 11.642 -4.797 7.686 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.889 -7.142 7.263 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.287 -6.522 6.914 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.039 -5.301 5.012 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.721 -5.420 5.491 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.195 -8.253 3.044 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.026 -8.708 4.756 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.639 -7.052 4.234 1.00 0.00 H new ATOM 622 N ASP A 64 10.467 -2.738 7.382 1.00 0.00 N ATOM 623 CA ASP A 64 9.904 -1.398 7.068 1.00 0.00 C ATOM 624 C ASP A 64 9.211 -1.343 5.697 1.00 0.00 C ATOM 625 O ASP A 64 9.630 -2.063 4.785 1.00 0.00 O ATOM 626 CB ASP A 64 10.990 -0.325 7.189 1.00 0.00 C ATOM 627 CG ASP A 64 12.118 -0.504 6.157 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.929 -0.007 5.032 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.080 -1.215 6.497 1.00 0.00 O ATOM 0 H ASP A 64 11.481 -2.727 7.493 1.00 0.00 H new ATOM 0 HA ASP A 64 9.125 -1.197 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.539 0.659 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.413 -0.354 8.193 1.00 0.00 H new ATOM 631 N GLY A 65 8.421 -0.291 5.492 1.00 0.00 N ATOM 632 CA GLY A 65 7.646 -0.036 4.258 1.00 0.00 C ATOM 633 C GLY A 65 8.476 -0.102 2.967 1.00 0.00 C ATOM 634 O GLY A 65 8.209 -0.918 2.095 1.00 0.00 O ATOM 0 H GLY A 65 8.292 0.436 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.837 -0.764 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.184 0.949 4.330 1.00 0.00 H new ATOM 636 N LEU A 66 9.553 0.683 2.916 1.00 0.00 N ATOM 637 CA LEU A 66 10.460 0.721 1.762 1.00 0.00 C ATOM 638 C LEU A 66 11.050 -0.664 1.421 1.00 0.00 C ATOM 639 O LEU A 66 11.067 -1.067 0.261 1.00 0.00 O ATOM 640 CB LEU A 66 11.536 1.782 2.045 1.00 0.00 C ATOM 641 CG LEU A 66 12.545 1.920 0.909 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.919 2.390 -0.417 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.632 2.928 1.288 1.00 0.00 C ATOM 0 H LEU A 66 9.823 1.312 3.672 1.00 0.00 H new ATOM 0 HA LEU A 66 9.905 1.000 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.054 2.745 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.063 1.522 2.963 1.00 0.00 H new ATOM 0 HG LEU A 66 12.954 0.921 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.695 2.466 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.164 1.672 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.454 3.366 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.346 3.018 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.176 3.899 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.149 2.586 2.185 1.00 0.00 H new ATOM 645 N GLU A 67 11.420 -1.421 2.450 1.00 0.00 N ATOM 646 CA GLU A 67 11.937 -2.795 2.281 1.00 0.00 C ATOM 647 C GLU A 67 10.843 -3.753 1.771 1.00 0.00 C ATOM 648 O GLU A 67 11.086 -4.529 0.844 1.00 0.00 O ATOM 649 CB GLU A 67 12.535 -3.295 3.599 1.00 0.00 C ATOM 650 CG GLU A 67 13.979 -3.747 3.448 1.00 0.00 C ATOM 651 CD GLU A 67 14.154 -4.922 2.465 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.685 -6.027 2.818 1.00 0.00 O ATOM 653 OE2 GLU A 67 14.780 -4.683 1.423 1.00 0.00 O ATOM 0 H GLU A 67 11.374 -1.112 3.421 1.00 0.00 H new ATOM 0 HA GLU A 67 12.722 -2.773 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.482 -2.500 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.935 -4.124 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.582 -2.905 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.364 -4.040 4.425 1.00 0.00 H new ATOM 655 N LEU A 68 9.632 -3.596 2.301 1.00 0.00 N ATOM 656 CA LEU A 68 8.430 -4.370 1.908 1.00 0.00 C ATOM 657 C LEU A 68 8.095 -4.143 0.416 1.00 0.00 C ATOM 658 O LEU A 68 7.776 -5.080 -0.305 1.00 0.00 O ATOM 659 CB LEU A 68 7.299 -4.020 2.881 1.00 0.00 C ATOM 660 CG LEU A 68 5.936 -4.729 2.691 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.044 -3.977 1.712 1.00 0.00 C ATOM 662 CD2 LEU A 68 6.057 -6.233 2.436 1.00 0.00 C ATOM 0 H LEU A 68 9.442 -2.913 3.035 1.00 0.00 H new ATOM 0 HA LEU A 68 8.602 -5.443 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.649 -4.233 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.128 -2.945 2.823 1.00 0.00 H new ATOM 0 HG LEU A 68 5.415 -4.686 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.096 -4.505 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.858 -2.971 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.538 -3.917 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.063 -6.662 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.640 -6.403 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.554 -6.707 3.282 1.00 0.00 H new ATOM 664 N LEU A 69 8.222 -2.891 -0.025 1.00 0.00 N ATOM 665 CA LEU A 69 8.033 -2.456 -1.423 1.00 0.00 C ATOM 666 C LEU A 69 8.900 -3.353 -2.345 1.00 0.00 C ATOM 667 O LEU A 69 8.395 -4.036 -3.237 1.00 0.00 O ATOM 668 CB LEU A 69 8.528 -1.007 -1.450 1.00 0.00 C ATOM 669 CG LEU A 69 8.119 -0.114 -2.633 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.778 1.248 -2.407 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.515 -0.657 -4.000 1.00 0.00 C ATOM 0 H LEU A 69 8.467 -2.120 0.597 1.00 0.00 H new ATOM 0 HA LEU A 69 7.001 -2.531 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.186 -0.523 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.617 -1.028 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 69 7.031 -0.061 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.516 1.919 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.428 1.670 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.861 1.127 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.188 0.036 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.598 -0.769 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.043 -1.627 -4.157 1.00 0.00 H new ATOM 673 N LYS A 70 10.183 -3.456 -1.977 1.00 0.00 N ATOM 674 CA LYS A 70 11.199 -4.264 -2.698 1.00 0.00 C ATOM 675 C LYS A 70 10.821 -5.757 -2.769 1.00 0.00 C ATOM 676 O LYS A 70 10.869 -6.339 -3.846 1.00 0.00 O ATOM 677 CB LYS A 70 12.568 -4.114 -2.037 1.00 0.00 C ATOM 678 CG LYS A 70 13.050 -2.663 -1.966 1.00 0.00 C ATOM 679 CD LYS A 70 14.396 -2.593 -1.246 1.00 0.00 C ATOM 680 CE LYS A 70 14.835 -1.151 -0.994 1.00 0.00 C ATOM 681 NZ LYS A 70 16.160 -1.164 -0.381 1.00 0.00 N ATOM 0 H LYS A 70 10.559 -2.977 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 70 11.238 -3.883 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.524 -4.525 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.298 -4.705 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.145 -2.253 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.315 -2.053 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.327 -3.122 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.153 -3.104 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.858 -0.594 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.122 -0.648 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.470 -0.187 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.121 -1.683 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.834 -1.631 -1.021 1.00 0.00 H new ATOM 686 N THR A 71 10.337 -6.300 -1.653 1.00 0.00 N ATOM 687 CA THR A 71 9.901 -7.725 -1.544 1.00 0.00 C ATOM 688 C THR A 71 8.621 -8.067 -2.332 1.00 0.00 C ATOM 689 O THR A 71 8.093 -9.171 -2.223 1.00 0.00 O ATOM 690 CB THR A 71 9.849 -8.165 -0.083 1.00 0.00 C ATOM 691 OG1 THR A 71 8.931 -7.366 0.663 1.00 0.00 O ATOM 692 CG2 THR A 71 11.231 -8.161 0.554 1.00 0.00 C ATOM 0 H THR A 71 10.229 -5.776 -0.785 1.00 0.00 H new ATOM 0 HA THR A 71 10.667 -8.319 -2.043 1.00 0.00 H new ATOM 0 HB THR A 71 9.487 -9.193 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.637 -6.608 0.115 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.153 -8.480 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.883 -8.846 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.648 -7.155 0.513 1.00 0.00 H new ATOM 695 N ILE A 72 8.065 -7.052 -2.994 1.00 0.00 N ATOM 696 CA ILE A 72 6.895 -7.153 -3.889 1.00 0.00 C ATOM 697 C ILE A 72 7.422 -6.935 -5.319 1.00 0.00 C ATOM 698 O ILE A 72 7.602 -7.902 -6.054 1.00 0.00 O ATOM 699 CB ILE A 72 5.802 -6.123 -3.538 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.357 -6.267 -2.075 1.00 0.00 C ATOM 701 CG2 ILE A 72 4.580 -6.288 -4.469 1.00 0.00 C ATOM 702 CD1 ILE A 72 4.764 -4.978 -1.516 1.00 0.00 C ATOM 0 H ILE A 72 8.424 -6.100 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 72 6.421 -8.129 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 72 6.228 -5.129 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.619 -7.065 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.211 -6.564 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.820 -5.552 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.888 -6.137 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.169 -7.291 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.466 -5.134 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.509 -4.184 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.892 -4.693 -2.105 1.00 0.00 H new ATOM 704 N ARG A 73 7.979 -5.730 -5.541 1.00 0.00 N ATOM 705 CA ARG A 73 8.549 -5.255 -6.819 1.00 0.00 C ATOM 706 C ARG A 73 9.576 -6.236 -7.452 1.00 0.00 C ATOM 707 O ARG A 73 9.469 -6.554 -8.638 1.00 0.00 O ATOM 708 CB ARG A 73 9.149 -3.867 -6.611 1.00 0.00 C ATOM 709 CG ARG A 73 8.460 -2.829 -7.509 1.00 0.00 C ATOM 710 CD ARG A 73 6.966 -2.660 -7.220 1.00 0.00 C ATOM 711 NE ARG A 73 6.419 -1.626 -8.115 1.00 0.00 N ATOM 712 CZ ARG A 73 5.586 -1.797 -9.150 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.021 -2.969 -9.420 1.00 0.00 N ATOM 714 NH2 ARG A 73 5.274 -0.758 -9.915 1.00 0.00 N ATOM 0 H ARG A 73 8.048 -5.029 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 73 7.735 -5.203 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.045 -3.575 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.216 -3.892 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.956 -1.867 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.589 -3.121 -8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.444 -3.605 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.814 -2.376 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 73 6.709 -0.667 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.217 -3.778 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.392 -3.060 -10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.668 0.161 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.641 -0.879 -10.705 1.00 0.00 H new ATOM 721 N ALA A 74 10.472 -6.764 -6.624 1.00 0.00 N ATOM 722 CA ALA A 74 11.520 -7.710 -7.049 1.00 0.00 C ATOM 723 C ALA A 74 11.160 -9.201 -6.874 1.00 0.00 C ATOM 724 O ALA A 74 11.876 -10.090 -7.340 1.00 0.00 O ATOM 725 CB ALA A 74 12.814 -7.400 -6.285 1.00 0.00 C ATOM 0 H ALA A 74 10.498 -6.550 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 74 11.640 -7.564 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.594 -8.096 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.130 -6.380 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.638 -7.504 -5.214 1.00 0.00 H new ATOM 727 N ASP A 75 9.992 -9.473 -6.304 1.00 0.00 N ATOM 728 CA ASP A 75 9.513 -10.846 -6.050 1.00 0.00 C ATOM 729 C ASP A 75 8.812 -11.375 -7.306 1.00 0.00 C ATOM 730 O ASP A 75 7.658 -11.042 -7.537 1.00 0.00 O ATOM 731 CB ASP A 75 8.556 -10.831 -4.846 1.00 0.00 C ATOM 732 CG ASP A 75 8.008 -12.204 -4.449 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.288 -12.802 -5.293 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.357 -12.657 -3.342 1.00 0.00 O ATOM 0 H ASP A 75 9.340 -8.750 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 75 10.350 -11.505 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.077 -10.401 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.718 -10.172 -5.073 1.00 0.00 H new ATOM 736 N GLY A 76 9.543 -12.186 -8.077 1.00 0.00 N ATOM 737 CA GLY A 76 9.083 -12.839 -9.333 1.00 0.00 C ATOM 738 C GLY A 76 7.584 -12.758 -9.658 1.00 0.00 C ATOM 739 O GLY A 76 7.139 -11.846 -10.347 1.00 0.00 O ATOM 0 H GLY A 76 10.508 -12.422 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.633 -12.398 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.363 -13.892 -9.289 1.00 0.00 H new ATOM 741 N ALA A 77 6.812 -13.604 -8.973 1.00 0.00 N ATOM 742 CA ALA A 77 5.342 -13.705 -9.123 1.00 0.00 C ATOM 743 C ALA A 77 4.533 -12.449 -8.746 1.00 0.00 C ATOM 744 O ALA A 77 3.600 -12.066 -9.452 1.00 0.00 O ATOM 745 CB ALA A 77 4.850 -14.907 -8.312 1.00 0.00 C ATOM 0 H ALA A 77 7.189 -14.254 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 77 5.164 -13.825 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.768 -14.995 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.324 -15.815 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.107 -14.767 -7.262 1.00 0.00 H new ATOM 747 N MET A 78 4.934 -11.805 -7.649 1.00 0.00 N ATOM 748 CA MET A 78 4.284 -10.594 -7.078 1.00 0.00 C ATOM 749 C MET A 78 4.712 -9.227 -7.633 1.00 0.00 C ATOM 750 O MET A 78 4.107 -8.198 -7.309 1.00 0.00 O ATOM 751 CB MET A 78 4.592 -10.574 -5.581 1.00 0.00 C ATOM 752 CG MET A 78 3.869 -11.651 -4.768 1.00 0.00 C ATOM 753 SD MET A 78 4.470 -11.776 -3.038 1.00 0.00 S ATOM 754 CE MET A 78 4.265 -10.100 -2.470 1.00 0.00 C ATOM 0 H MET A 78 5.743 -12.110 -7.107 1.00 0.00 H new ATOM 0 HA MET A 78 3.233 -10.696 -7.347 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.667 -10.693 -5.443 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.326 -9.595 -5.181 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.801 -11.435 -4.760 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.996 -12.615 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.419 -10.060 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.992 -9.457 -2.965 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.258 -9.757 -2.705 1.00 0.00 H new ATOM 756 N SER A 79 5.733 -9.212 -8.489 1.00 0.00 N ATOM 757 CA SER A 79 6.357 -8.004 -9.076 1.00 0.00 C ATOM 758 C SER A 79 5.468 -6.777 -9.386 1.00 0.00 C ATOM 759 O SER A 79 5.552 -5.787 -8.674 1.00 0.00 O ATOM 760 CB SER A 79 7.200 -8.398 -10.298 1.00 0.00 C ATOM 761 OG SER A 79 7.915 -7.260 -10.774 1.00 0.00 O ATOM 0 H SER A 79 6.174 -10.073 -8.813 1.00 0.00 H new ATOM 0 HA SER A 79 6.968 -7.623 -8.257 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.897 -9.192 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.556 -8.791 -11.085 1.00 0.00 H new ATOM 0 HG SER A 79 8.554 -6.966 -10.091 1.00 0.00 H new ATOM 764 N ALA A 80 4.496 -6.961 -10.282 1.00 0.00 N ATOM 765 CA ALA A 80 3.610 -5.878 -10.775 1.00 0.00 C ATOM 766 C ALA A 80 2.450 -5.386 -9.881 1.00 0.00 C ATOM 767 O ALA A 80 1.621 -4.601 -10.346 1.00 0.00 O ATOM 768 CB ALA A 80 3.081 -6.315 -12.149 1.00 0.00 C ATOM 0 H ALA A 80 4.291 -7.870 -10.696 1.00 0.00 H new ATOM 0 HA ALA A 80 4.244 -4.992 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.423 -5.543 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.918 -6.465 -12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.526 -7.247 -12.045 1.00 0.00 H new ATOM 770 N LEU A 81 2.481 -5.665 -8.584 1.00 0.00 N ATOM 771 CA LEU A 81 1.404 -5.240 -7.674 1.00 0.00 C ATOM 772 C LEU A 81 1.595 -3.798 -7.158 1.00 0.00 C ATOM 773 O LEU A 81 2.614 -3.510 -6.517 1.00 0.00 O ATOM 774 CB LEU A 81 1.224 -6.222 -6.503 1.00 0.00 C ATOM 775 CG LEU A 81 0.955 -7.661 -6.971 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.928 -8.592 -5.760 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.309 -7.802 -7.825 1.00 0.00 C ATOM 0 H LEU A 81 3.235 -6.182 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 81 0.489 -5.249 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.119 -6.208 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.397 -5.887 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 81 1.773 -7.949 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.737 -9.613 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.889 -8.550 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.138 -8.278 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.435 -8.844 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.176 -7.480 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.217 -7.182 -8.717 1.00 0.00 H new ATOM 779 N PRO A 82 0.632 -2.895 -7.432 1.00 0.00 N ATOM 780 CA PRO A 82 0.686 -1.483 -7.008 1.00 0.00 C ATOM 781 C PRO A 82 0.952 -1.294 -5.510 1.00 0.00 C ATOM 782 O PRO A 82 0.249 -1.840 -4.651 1.00 0.00 O ATOM 783 CB PRO A 82 -0.636 -0.843 -7.422 1.00 0.00 C ATOM 784 CG PRO A 82 -1.541 -2.016 -7.792 1.00 0.00 C ATOM 785 CD PRO A 82 -0.593 -3.140 -8.222 1.00 0.00 C ATOM 0 HA PRO A 82 1.534 -1.001 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.063 -0.256 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.500 -0.167 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.154 -2.322 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.223 -1.747 -8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.016 -4.122 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.391 -3.105 -9.293 1.00 0.00 H new ATOM 786 N VAL A 83 1.892 -0.389 -5.269 1.00 0.00 N ATOM 787 CA VAL A 83 2.381 -0.075 -3.907 1.00 0.00 C ATOM 788 C VAL A 83 2.133 1.396 -3.521 1.00 0.00 C ATOM 789 O VAL A 83 2.758 2.320 -4.049 1.00 0.00 O ATOM 790 CB VAL A 83 3.880 -0.413 -3.765 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.291 -0.367 -2.295 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.251 -1.810 -4.278 1.00 0.00 C ATOM 0 H VAL A 83 2.345 0.155 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 83 1.809 -0.698 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 83 4.398 0.332 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.350 -0.607 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.110 0.632 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.706 -1.093 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.320 -1.974 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.696 -2.563 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.001 -1.887 -5.336 1.00 0.00 H new ATOM 794 N LEU A 84 1.293 1.550 -2.507 1.00 0.00 N ATOM 795 CA LEU A 84 0.968 2.864 -1.920 1.00 0.00 C ATOM 796 C LEU A 84 1.653 2.944 -0.556 1.00 0.00 C ATOM 797 O LEU A 84 1.395 2.151 0.349 1.00 0.00 O ATOM 798 CB LEU A 84 -0.541 3.092 -1.783 1.00 0.00 C ATOM 799 CG LEU A 84 -0.917 4.437 -1.127 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.500 5.637 -1.976 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.426 4.483 -0.897 1.00 0.00 C ATOM 0 H LEU A 84 0.811 0.771 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 84 1.328 3.649 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.997 3.042 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.968 2.280 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.380 4.501 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.787 6.558 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.580 5.624 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.995 5.586 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.695 5.432 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.943 4.386 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.719 3.663 -0.241 1.00 0.00 H new ATOM 803 N MET A 85 2.722 3.736 -0.550 1.00 0.00 N ATOM 804 CA MET A 85 3.507 3.969 0.673 1.00 0.00 C ATOM 805 C MET A 85 2.834 4.996 1.592 1.00 0.00 C ATOM 806 O MET A 85 2.098 5.866 1.141 1.00 0.00 O ATOM 807 CB MET A 85 4.929 4.431 0.309 1.00 0.00 C ATOM 808 CG MET A 85 5.830 3.257 -0.040 1.00 0.00 C ATOM 809 SD MET A 85 6.261 2.242 1.425 1.00 0.00 S ATOM 810 CE MET A 85 5.735 0.653 0.835 1.00 0.00 C ATOM 0 H MET A 85 3.069 4.229 -1.373 1.00 0.00 H new ATOM 0 HA MET A 85 3.563 3.026 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.883 5.118 -0.536 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.358 4.983 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.333 2.629 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.744 3.630 -0.501 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.905 -0.097 1.608 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.673 0.689 0.591 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.303 0.390 -0.057 1.00 0.00 H new ATOM 812 N VAL A 86 2.868 4.683 2.878 1.00 0.00 N ATOM 813 CA VAL A 86 2.330 5.609 3.901 1.00 0.00 C ATOM 814 C VAL A 86 3.537 6.094 4.705 1.00 0.00 C ATOM 815 O VAL A 86 4.078 5.385 5.560 1.00 0.00 O ATOM 816 CB VAL A 86 1.265 5.026 4.840 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.541 6.188 5.539 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.212 4.180 4.119 1.00 0.00 C ATOM 0 H VAL A 86 3.252 3.814 3.248 1.00 0.00 H new ATOM 0 HA VAL A 86 1.798 6.407 3.383 1.00 0.00 H new ATOM 0 HB VAL A 86 1.785 4.374 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.220 5.791 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.261 6.773 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.068 6.825 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.508 3.800 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.305 4.794 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.698 3.343 3.618 1.00 0.00 H new ATOM 820 N THR A 87 3.917 7.327 4.429 1.00 0.00 N ATOM 821 CA THR A 87 5.113 7.949 5.018 1.00 0.00 C ATOM 822 C THR A 87 4.798 8.931 6.154 1.00 0.00 C ATOM 823 O THR A 87 3.666 9.393 6.316 1.00 0.00 O ATOM 824 CB THR A 87 5.975 8.645 3.953 1.00 0.00 C ATOM 825 OG1 THR A 87 5.468 9.961 3.693 1.00 0.00 O ATOM 826 CG2 THR A 87 6.067 7.888 2.623 1.00 0.00 C ATOM 0 H THR A 87 3.410 7.938 3.788 1.00 0.00 H new ATOM 0 HA THR A 87 5.676 7.123 5.453 1.00 0.00 H new ATOM 0 HB THR A 87 6.981 8.679 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.024 10.398 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.693 8.448 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.504 6.904 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.069 7.773 2.200 1.00 0.00 H new ATOM 829 N ALA A 88 5.786 9.046 7.043 1.00 0.00 N ATOM 830 CA ALA A 88 5.737 9.984 8.186 1.00 0.00 C ATOM 831 C ALA A 88 5.662 11.451 7.717 1.00 0.00 C ATOM 832 O ALA A 88 4.946 12.264 8.296 1.00 0.00 O ATOM 833 CB ALA A 88 6.969 9.761 9.078 1.00 0.00 C ATOM 0 H ALA A 88 6.644 8.497 6.999 1.00 0.00 H new ATOM 0 HA ALA A 88 4.831 9.785 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.937 10.450 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.970 8.735 9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.875 9.939 8.498 1.00 0.00 H new ATOM 835 N GLU A 89 6.427 11.752 6.664 1.00 0.00 N ATOM 836 CA GLU A 89 6.507 13.067 6.009 1.00 0.00 C ATOM 837 C GLU A 89 7.063 12.972 4.588 1.00 0.00 C ATOM 838 O GLU A 89 7.987 12.190 4.333 1.00 0.00 O ATOM 839 CB GLU A 89 7.357 14.081 6.805 1.00 0.00 C ATOM 840 CG GLU A 89 6.482 15.064 7.593 1.00 0.00 C ATOM 841 CD GLU A 89 5.481 15.852 6.734 1.00 0.00 C ATOM 842 OE1 GLU A 89 5.825 16.182 5.568 1.00 0.00 O ATOM 843 OE2 GLU A 89 4.352 16.055 7.230 1.00 0.00 O ATOM 0 H GLU A 89 7.034 11.060 6.224 1.00 0.00 H new ATOM 0 HA GLU A 89 5.478 13.425 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.012 13.546 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.999 14.635 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.932 14.512 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.129 15.769 8.115 1.00 0.00 H new ATOM 845 N ALA A 90 6.590 13.880 3.729 1.00 0.00 N ATOM 846 CA ALA A 90 7.003 13.951 2.318 1.00 0.00 C ATOM 847 C ALA A 90 8.300 14.761 2.196 1.00 0.00 C ATOM 848 O ALA A 90 8.301 15.996 2.261 1.00 0.00 O ATOM 849 CB ALA A 90 5.879 14.561 1.486 1.00 0.00 C ATOM 0 H ALA A 90 5.907 14.591 3.991 1.00 0.00 H new ATOM 0 HA ALA A 90 7.199 12.948 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.186 14.613 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.986 13.942 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.660 15.565 1.850 1.00 0.00 H new ATOM 851 N LYS A 91 9.409 14.030 2.192 1.00 0.00 N ATOM 852 CA LYS A 91 10.754 14.624 2.122 1.00 0.00 C ATOM 853 C LYS A 91 11.543 14.027 0.947 1.00 0.00 C ATOM 854 O LYS A 91 11.668 12.815 0.836 1.00 0.00 O ATOM 855 CB LYS A 91 11.455 14.365 3.461 1.00 0.00 C ATOM 856 CG LYS A 91 12.745 15.164 3.631 1.00 0.00 C ATOM 857 CD LYS A 91 13.242 15.042 5.069 1.00 0.00 C ATOM 858 CE LYS A 91 14.537 15.829 5.275 1.00 0.00 C ATOM 859 NZ LYS A 91 14.888 15.796 6.706 1.00 0.00 N ATOM 0 H LYS A 91 9.409 13.011 2.237 1.00 0.00 H new ATOM 0 HA LYS A 91 10.690 15.698 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.773 14.612 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.680 13.302 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.505 14.797 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.570 16.211 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.477 15.409 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.409 13.992 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.341 15.397 4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.411 16.859 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.768 16.328 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.121 16.226 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.023 14.810 7.008 1.00 0.00 H new ATOM 864 N LYS A 92 12.125 14.928 0.146 1.00 0.00 N ATOM 865 CA LYS A 92 12.930 14.622 -1.063 1.00 0.00 C ATOM 866 C LYS A 92 13.621 13.246 -1.096 1.00 0.00 C ATOM 867 O LYS A 92 13.212 12.379 -1.863 1.00 0.00 O ATOM 868 CB LYS A 92 13.930 15.773 -1.251 1.00 0.00 C ATOM 869 CG LYS A 92 14.723 15.684 -2.557 1.00 0.00 C ATOM 870 CD LYS A 92 15.684 16.868 -2.689 1.00 0.00 C ATOM 871 CE LYS A 92 16.504 16.801 -3.981 1.00 0.00 C ATOM 872 NZ LYS A 92 17.480 15.696 -3.932 1.00 0.00 N ATOM 0 H LYS A 92 12.051 15.930 0.321 1.00 0.00 H new ATOM 0 HA LYS A 92 12.235 14.545 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.391 16.720 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.626 15.780 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.284 14.750 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.037 15.670 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.117 17.799 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.358 16.885 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.837 16.664 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.026 17.745 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.413 16.044 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.542 15.330 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.174 14.934 -4.570 1.00 0.00 H new ATOM 877 N GLU A 93 14.511 13.003 -0.134 1.00 0.00 N ATOM 878 CA GLU A 93 15.248 11.722 -0.028 1.00 0.00 C ATOM 879 C GLU A 93 14.366 10.468 0.083 1.00 0.00 C ATOM 880 O GLU A 93 14.531 9.551 -0.719 1.00 0.00 O ATOM 881 CB GLU A 93 16.290 11.787 1.091 1.00 0.00 C ATOM 882 CG GLU A 93 17.611 12.444 0.631 1.00 0.00 C ATOM 883 CD GLU A 93 17.466 13.877 0.099 1.00 0.00 C ATOM 884 OE1 GLU A 93 16.779 14.674 0.773 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.978 14.122 -1.006 1.00 0.00 O ATOM 0 H GLU A 93 14.748 13.677 0.594 1.00 0.00 H new ATOM 0 HA GLU A 93 15.758 11.603 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.882 12.349 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.495 10.779 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 93 18.308 12.451 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.056 11.825 -0.148 1.00 0.00 H new ATOM 887 N ASN A 94 13.341 10.510 0.946 1.00 0.00 N ATOM 888 CA ASN A 94 12.418 9.356 1.086 1.00 0.00 C ATOM 889 C ASN A 94 11.554 9.156 -0.165 1.00 0.00 C ATOM 890 O ASN A 94 11.407 8.027 -0.637 1.00 0.00 O ATOM 891 CB ASN A 94 11.611 9.344 2.392 1.00 0.00 C ATOM 892 CG ASN A 94 10.565 10.430 2.654 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.932 11.012 1.794 1.00 0.00 O ATOM 894 ND2 ASN A 94 10.322 10.675 3.925 1.00 0.00 N ATOM 0 H ASN A 94 13.126 11.305 1.547 1.00 0.00 H new ATOM 0 HA ASN A 94 13.059 8.478 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.101 8.382 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.325 9.376 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.604 11.351 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.851 10.188 4.648 1.00 0.00 H new ATOM 898 N ILE A 95 11.136 10.270 -0.776 1.00 0.00 N ATOM 899 CA ILE A 95 10.349 10.291 -2.032 1.00 0.00 C ATOM 900 C ILE A 95 11.158 9.589 -3.146 1.00 0.00 C ATOM 901 O ILE A 95 10.673 8.633 -3.753 1.00 0.00 O ATOM 902 CB ILE A 95 9.994 11.756 -2.370 1.00 0.00 C ATOM 903 CG1 ILE A 95 9.021 12.308 -1.310 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.432 11.921 -3.790 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.854 13.833 -1.338 1.00 0.00 C ATOM 0 H ILE A 95 11.334 11.202 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 95 9.411 9.745 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 95 10.916 12.336 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.045 11.845 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.372 12.011 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.201 12.971 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.172 11.582 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.524 11.327 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.153 14.137 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.819 14.308 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.471 14.139 -2.311 1.00 0.00 H new ATOM 907 N ILE A 96 12.423 9.999 -3.292 1.00 0.00 N ATOM 908 CA ILE A 96 13.377 9.436 -4.270 1.00 0.00 C ATOM 909 C ILE A 96 13.502 7.904 -4.076 1.00 0.00 C ATOM 910 O ILE A 96 13.111 7.143 -4.949 1.00 0.00 O ATOM 911 CB ILE A 96 14.722 10.185 -4.192 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.591 11.658 -4.623 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.893 9.497 -4.915 1.00 0.00 C ATOM 914 CD1 ILE A 96 14.010 11.912 -6.027 1.00 0.00 C ATOM 0 H ILE A 96 12.826 10.746 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 96 13.005 9.584 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 96 14.982 10.154 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.963 12.172 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.578 12.117 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.794 10.100 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.060 8.511 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.656 9.392 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.968 12.985 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 96 14.645 11.438 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 96 13.005 11.493 -6.086 1.00 0.00 H new ATOM 916 N ALA A 97 13.841 7.522 -2.846 1.00 0.00 N ATOM 917 CA ALA A 97 13.993 6.104 -2.442 1.00 0.00 C ATOM 918 C ALA A 97 12.763 5.255 -2.819 1.00 0.00 C ATOM 919 O ALA A 97 12.877 4.309 -3.595 1.00 0.00 O ATOM 920 CB ALA A 97 14.254 6.033 -0.933 1.00 0.00 C ATOM 0 H ALA A 97 14.021 8.182 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 97 14.841 5.686 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.366 4.991 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.166 6.580 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.415 6.477 -0.397 1.00 0.00 H new ATOM 922 N ALA A 98 11.590 5.776 -2.454 1.00 0.00 N ATOM 923 CA ALA A 98 10.282 5.160 -2.733 1.00 0.00 C ATOM 924 C ALA A 98 9.996 4.971 -4.234 1.00 0.00 C ATOM 925 O ALA A 98 9.869 3.843 -4.704 1.00 0.00 O ATOM 926 CB ALA A 98 9.200 6.021 -2.079 1.00 0.00 C ATOM 0 H ALA A 98 11.516 6.657 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 98 10.288 4.154 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.221 5.584 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.371 6.066 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.236 7.028 -2.494 1.00 0.00 H new ATOM 928 N ALA A 99 10.041 6.079 -4.976 1.00 0.00 N ATOM 929 CA ALA A 99 9.794 6.115 -6.430 1.00 0.00 C ATOM 930 C ALA A 99 10.754 5.194 -7.200 1.00 0.00 C ATOM 931 O ALA A 99 10.316 4.248 -7.857 1.00 0.00 O ATOM 932 CB ALA A 99 9.887 7.550 -6.932 1.00 0.00 C ATOM 0 H ALA A 99 10.253 6.996 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 99 8.787 5.739 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.704 7.572 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.142 8.162 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.882 7.944 -6.725 1.00 0.00 H new ATOM 934 N GLN A 100 12.052 5.346 -6.928 1.00 0.00 N ATOM 935 CA GLN A 100 13.125 4.553 -7.546 1.00 0.00 C ATOM 936 C GLN A 100 13.054 3.043 -7.252 1.00 0.00 C ATOM 937 O GLN A 100 13.461 2.236 -8.097 1.00 0.00 O ATOM 938 CB GLN A 100 14.471 5.176 -7.176 1.00 0.00 C ATOM 939 CG GLN A 100 14.820 6.381 -8.055 1.00 0.00 C ATOM 940 CD GLN A 100 13.833 7.565 -8.053 1.00 0.00 C ATOM 941 OE1 GLN A 100 13.956 8.526 -7.310 1.00 0.00 O ATOM 942 NE2 GLN A 100 12.892 7.572 -8.978 1.00 0.00 N ATOM 0 H GLN A 100 12.396 6.036 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 100 12.992 4.596 -8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.449 5.486 -6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.254 4.423 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.796 6.754 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.925 6.031 -9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.784 6.772 -9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.273 8.377 -9.069 1.00 0.00 H new ATOM 946 N ALA A 101 12.521 2.691 -6.090 1.00 0.00 N ATOM 947 CA ALA A 101 12.324 1.292 -5.661 1.00 0.00 C ATOM 948 C ALA A 101 11.060 0.606 -6.238 1.00 0.00 C ATOM 949 O ALA A 101 10.925 -0.608 -6.138 1.00 0.00 O ATOM 950 CB ALA A 101 12.300 1.225 -4.130 1.00 0.00 C ATOM 0 H ALA A 101 12.205 3.372 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 101 13.168 0.734 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.155 0.192 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.246 1.596 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.483 1.839 -3.752 1.00 0.00 H new ATOM 952 N GLY A 102 10.164 1.406 -6.817 1.00 0.00 N ATOM 953 CA GLY A 102 8.902 0.909 -7.428 1.00 0.00 C ATOM 954 C GLY A 102 7.588 1.460 -6.854 1.00 0.00 C ATOM 955 O GLY A 102 6.526 1.135 -7.384 1.00 0.00 O ATOM 0 H GLY A 102 10.280 2.417 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.928 1.136 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.884 -0.177 -7.334 1.00 0.00 H new ATOM 957 N ALA A 103 7.638 2.296 -5.806 1.00 0.00 N ATOM 958 CA ALA A 103 6.418 2.870 -5.182 1.00 0.00 C ATOM 959 C ALA A 103 5.556 3.662 -6.175 1.00 0.00 C ATOM 960 O ALA A 103 5.928 4.706 -6.690 1.00 0.00 O ATOM 961 CB ALA A 103 6.728 3.744 -3.975 1.00 0.00 C ATOM 0 H ALA A 103 8.508 2.595 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 103 5.848 2.004 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.799 4.135 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.241 3.151 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.367 4.573 -4.280 1.00 0.00 H new ATOM 963 N SER A 104 4.378 3.084 -6.383 1.00 0.00 N ATOM 964 CA SER A 104 3.321 3.601 -7.296 1.00 0.00 C ATOM 965 C SER A 104 2.752 4.972 -6.875 1.00 0.00 C ATOM 966 O SER A 104 2.114 5.653 -7.674 1.00 0.00 O ATOM 967 CB SER A 104 2.182 2.595 -7.351 1.00 0.00 C ATOM 968 OG SER A 104 2.683 1.261 -7.503 1.00 0.00 O ATOM 0 H SER A 104 4.108 2.218 -5.916 1.00 0.00 H new ATOM 0 HA SER A 104 3.789 3.739 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.588 2.663 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.519 2.835 -8.182 1.00 0.00 H new ATOM 0 HG SER A 104 2.332 0.872 -8.331 1.00 0.00 H new ATOM 971 N GLY A 105 2.827 5.231 -5.571 1.00 0.00 N ATOM 972 CA GLY A 105 2.378 6.486 -4.935 1.00 0.00 C ATOM 973 C GLY A 105 2.648 6.445 -3.421 1.00 0.00 C ATOM 974 O GLY A 105 2.997 5.404 -2.867 1.00 0.00 O ATOM 0 H GLY A 105 3.210 4.562 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.898 7.334 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.314 6.633 -5.117 1.00 0.00 H new ATOM 976 N TYR A 106 2.551 7.609 -2.802 1.00 0.00 N ATOM 977 CA TYR A 106 2.755 7.755 -1.346 1.00 0.00 C ATOM 978 C TYR A 106 1.797 8.770 -0.715 1.00 0.00 C ATOM 979 O TYR A 106 1.510 9.818 -1.289 1.00 0.00 O ATOM 980 CB TYR A 106 4.212 8.066 -0.978 1.00 0.00 C ATOM 981 CG TYR A 106 4.689 9.477 -1.313 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.497 10.511 -0.364 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.253 9.729 -2.584 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.860 11.828 -0.710 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.607 11.046 -2.932 1.00 0.00 C ATOM 986 CZ TYR A 106 5.395 12.079 -1.985 1.00 0.00 C ATOM 987 OH TYR A 106 5.738 13.349 -2.311 1.00 0.00 O ATOM 0 H TYR A 106 2.330 8.483 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 106 2.518 6.779 -0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.341 7.902 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.858 7.352 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.080 10.294 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.411 8.919 -3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.729 12.635 -0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.031 11.265 -3.901 1.00 0.00 H new ATOM 0 HH TYR A 106 6.095 13.368 -3.224 1.00 0.00 H new ATOM 990 N VAL A 107 1.287 8.377 0.445 1.00 0.00 N ATOM 991 CA VAL A 107 0.378 9.205 1.260 1.00 0.00 C ATOM 992 C VAL A 107 0.988 9.432 2.661 1.00 0.00 C ATOM 993 O VAL A 107 1.673 8.563 3.192 1.00 0.00 O ATOM 994 CB VAL A 107 -1.021 8.568 1.225 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.217 7.369 2.167 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.087 9.629 1.504 1.00 0.00 C ATOM 0 H VAL A 107 1.489 7.467 0.859 1.00 0.00 H new ATOM 0 HA VAL A 107 0.255 10.211 0.858 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.126 8.164 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.235 6.991 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.511 6.581 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.045 7.683 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.075 9.168 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.917 10.066 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.030 10.410 0.746 1.00 0.00 H new ATOM 998 N VAL A 108 0.981 10.689 3.094 1.00 0.00 N ATOM 999 CA VAL A 108 1.509 11.075 4.419 1.00 0.00 C ATOM 1000 C VAL A 108 0.440 10.866 5.511 1.00 0.00 C ATOM 1001 O VAL A 108 -0.748 11.081 5.291 1.00 0.00 O ATOM 1002 CB VAL A 108 2.045 12.528 4.383 1.00 0.00 C ATOM 1003 CG1 VAL A 108 2.628 12.980 5.730 1.00 0.00 C ATOM 1004 CG2 VAL A 108 3.144 12.685 3.325 1.00 0.00 C ATOM 0 H VAL A 108 0.615 11.470 2.550 1.00 0.00 H new ATOM 0 HA VAL A 108 2.350 10.429 4.672 1.00 0.00 H new ATOM 0 HB VAL A 108 1.183 13.150 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.988 14.005 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.855 12.929 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.456 12.327 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.502 13.715 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.971 12.014 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.741 12.438 2.343 1.00 0.00 H new ATOM 1006 N LYS A 109 0.910 10.361 6.655 1.00 0.00 N ATOM 1007 CA LYS A 109 0.046 10.103 7.824 1.00 0.00 C ATOM 1008 C LYS A 109 -0.067 11.330 8.764 1.00 0.00 C ATOM 1009 O LYS A 109 0.909 12.079 8.889 1.00 0.00 O ATOM 1010 CB LYS A 109 0.564 8.860 8.582 1.00 0.00 C ATOM 1011 CG LYS A 109 1.913 9.052 9.295 1.00 0.00 C ATOM 1012 CD LYS A 109 2.287 7.823 10.145 1.00 0.00 C ATOM 1013 CE LYS A 109 3.314 6.911 9.471 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.787 6.299 8.248 1.00 0.00 N ATOM 0 H LYS A 109 1.890 10.119 6.803 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.963 9.910 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.182 8.566 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.657 8.035 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.693 9.234 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.865 9.935 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.684 8.159 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.385 7.249 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.208 7.487 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.616 6.128 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.197 5.350 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.752 6.223 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.038 6.889 7.429 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.269 11.606 9.317 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.525 10.875 9.088 1.00 0.00 C ATOM 1021 C PRO A 110 -3.245 11.399 7.843 1.00 0.00 C ATOM 1022 O PRO A 110 -3.378 12.604 7.637 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.392 11.144 10.327 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.412 11.684 11.368 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.391 12.446 10.525 1.00 0.00 C ATOM 0 HA PRO A 110 -2.335 9.813 8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.180 11.866 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.880 10.234 10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.907 12.336 12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.945 10.880 11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.735 13.452 10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.437 12.551 11.042 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.726 10.451 7.051 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.461 10.732 5.804 1.00 0.00 C ATOM 1028 C PHE A 111 -5.927 10.275 5.962 1.00 0.00 C ATOM 1029 O PHE A 111 -6.217 9.347 6.710 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.775 10.050 4.613 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.789 8.518 4.639 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -2.848 7.826 5.438 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.829 7.839 3.969 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -2.980 6.433 5.603 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.950 6.441 4.128 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.045 5.756 4.966 1.00 0.00 C ATOM 0 H PHE A 111 -3.622 9.456 7.248 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.456 11.804 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.258 10.386 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.739 10.387 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.039 8.359 5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.523 8.381 3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.274 5.887 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.730 5.900 3.612 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.168 4.695 5.124 1.00 0.00 H new ATOM 1038 N THR A 112 -6.807 10.898 5.191 1.00 0.00 N ATOM 1039 CA THR A 112 -8.257 10.577 5.232 1.00 0.00 C ATOM 1040 C THR A 112 -8.730 9.869 3.953 1.00 0.00 C ATOM 1041 O THR A 112 -7.979 9.745 2.990 1.00 0.00 O ATOM 1042 CB THR A 112 -9.068 11.863 5.534 1.00 0.00 C ATOM 1043 OG1 THR A 112 -10.419 11.490 5.853 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.043 12.917 4.432 1.00 0.00 C ATOM 0 H THR A 112 -6.559 11.630 4.525 1.00 0.00 H new ATOM 0 HA THR A 112 -8.433 9.867 6.040 1.00 0.00 H new ATOM 0 HB THR A 112 -8.581 12.347 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.943 12.295 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.639 13.777 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.015 13.232 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.458 12.496 3.516 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.017 9.512 3.924 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.682 8.852 2.778 1.00 0.00 C ATOM 1049 C ALA A 113 -10.439 9.605 1.465 1.00 0.00 C ATOM 1050 O ALA A 113 -9.941 9.032 0.501 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.184 8.701 3.049 1.00 0.00 C ATOM 0 H ALA A 113 -10.647 9.674 4.710 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.243 7.861 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.660 8.214 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.333 8.096 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.627 9.685 3.199 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.565 10.936 1.533 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.325 11.854 0.398 1.00 0.00 C ATOM 1055 C ALA A 114 -8.879 11.771 -0.109 1.00 0.00 C ATOM 1056 O ALA A 114 -8.653 11.412 -1.267 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.679 13.283 0.838 1.00 0.00 C ATOM 0 H ALA A 114 -10.840 11.419 2.388 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.960 11.559 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.507 13.972 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.728 13.324 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.054 13.569 1.684 1.00 0.00 H new ATOM 1059 N THR A 115 -7.915 11.903 0.800 1.00 0.00 N ATOM 1060 CA THR A 115 -6.465 11.825 0.495 1.00 0.00 C ATOM 1061 C THR A 115 -6.128 10.477 -0.166 1.00 0.00 C ATOM 1062 O THR A 115 -5.606 10.445 -1.283 1.00 0.00 O ATOM 1063 CB THR A 115 -5.619 11.972 1.758 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.296 12.763 2.748 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.275 12.639 1.424 1.00 0.00 C ATOM 0 H THR A 115 -8.109 12.070 1.787 1.00 0.00 H new ATOM 0 HA THR A 115 -6.235 12.645 -0.185 1.00 0.00 H new ATOM 0 HB THR A 115 -5.449 10.972 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.644 13.107 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.682 12.738 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.734 12.026 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.455 13.627 0.999 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.642 9.405 0.436 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.498 8.007 -0.041 1.00 0.00 C ATOM 1070 C LEU A 116 -7.030 7.898 -1.483 1.00 0.00 C ATOM 1071 O LEU A 116 -6.255 7.628 -2.404 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.253 7.094 0.932 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.104 5.599 0.624 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.657 5.105 0.777 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -8.006 4.813 1.572 1.00 0.00 C ATOM 0 H LEU A 116 -7.188 9.474 1.295 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.453 7.699 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.896 7.284 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.311 7.355 0.913 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.390 5.443 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.610 4.041 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.011 5.653 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.323 5.270 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.911 3.747 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.711 5.010 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.042 5.120 1.427 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.277 8.348 -1.681 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.966 8.376 -2.990 1.00 0.00 C ATOM 1079 C GLU A 117 -8.146 9.113 -4.069 1.00 0.00 C ATOM 1080 O GLU A 117 -7.946 8.574 -5.166 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.341 9.049 -2.782 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.209 9.205 -4.032 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.571 7.865 -4.686 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -12.323 7.096 -4.033 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.115 7.644 -5.820 1.00 0.00 O ATOM 0 H GLU A 117 -8.852 8.712 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.088 7.356 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.899 8.469 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.178 10.037 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.125 9.732 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.683 9.826 -4.757 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.631 10.293 -3.725 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.787 11.099 -4.635 1.00 0.00 C ATOM 1089 C GLU A 118 -5.565 10.321 -5.162 1.00 0.00 C ATOM 1090 O GLU A 118 -5.444 10.109 -6.364 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.353 12.416 -3.976 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.373 13.554 -4.163 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.632 13.441 -3.298 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -9.599 12.781 -3.763 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.612 14.026 -2.197 1.00 0.00 O ATOM 0 H GLU A 118 -7.781 10.724 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.408 11.335 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.198 12.247 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.394 12.724 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.882 14.502 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.672 13.586 -5.211 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.828 9.704 -4.228 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.634 8.899 -4.531 1.00 0.00 C ATOM 1099 C LYS A 119 -3.935 7.666 -5.401 1.00 0.00 C ATOM 1100 O LYS A 119 -3.292 7.478 -6.436 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.918 8.490 -3.237 1.00 0.00 C ATOM 1102 CG LYS A 119 -1.899 9.529 -2.741 1.00 0.00 C ATOM 1103 CD LYS A 119 -2.525 10.868 -2.331 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.507 11.931 -1.918 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.594 12.244 -3.031 1.00 0.00 N ATOM 0 H LYS A 119 -5.045 9.749 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.974 9.535 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.662 8.322 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.407 7.541 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.359 9.116 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.165 9.708 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.117 11.250 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.213 10.697 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.027 12.836 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.934 11.578 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.049 13.100 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.058 11.448 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.146 12.406 -3.898 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.023 6.971 -5.074 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.485 5.775 -5.809 1.00 0.00 C ATOM 1112 C LEU A 120 -5.636 6.012 -7.327 1.00 0.00 C ATOM 1113 O LEU A 120 -5.039 5.286 -8.125 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.812 5.267 -5.223 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.619 4.633 -3.834 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.964 4.490 -3.142 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.916 3.284 -3.899 1.00 0.00 C ATOM 0 H LEU A 120 -5.621 7.217 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.710 5.019 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.517 6.095 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.251 4.533 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.975 5.299 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.822 4.041 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.421 5.473 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.615 3.854 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.806 2.882 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.507 2.595 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.931 3.408 -4.350 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.270 7.135 -7.676 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.478 7.555 -9.079 1.00 0.00 C ATOM 1121 C ASN A 121 -5.167 7.643 -9.876 1.00 0.00 C ATOM 1122 O ASN A 121 -4.990 6.941 -10.873 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.177 8.917 -9.127 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.687 8.791 -8.955 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.424 8.434 -9.864 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.182 9.032 -7.766 1.00 0.00 N ATOM 0 H ASN A 121 -6.658 7.787 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.100 6.788 -9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.775 9.558 -8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -6.960 9.403 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.182 8.922 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.567 9.330 -7.008 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.218 8.368 -9.297 1.00 0.00 N ATOM 1131 CA LYS A 122 -2.873 8.576 -9.874 1.00 0.00 C ATOM 1132 C LYS A 122 -2.143 7.246 -10.155 1.00 0.00 C ATOM 1133 O LYS A 122 -1.642 7.039 -11.253 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.064 9.448 -8.922 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.358 10.555 -9.697 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.396 11.323 -8.789 1.00 0.00 C ATOM 1137 CE LYS A 122 0.278 12.500 -9.509 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.047 12.051 -10.675 1.00 0.00 N ATOM 0 H LYS A 122 -4.351 8.839 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 122 -2.982 9.074 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.720 9.883 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.331 8.839 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.810 10.126 -10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.096 11.240 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.940 11.696 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.370 10.642 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.480 13.216 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.938 13.021 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.583 12.852 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.707 11.300 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.397 11.683 -11.399 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.238 6.324 -9.196 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.633 4.976 -9.280 1.00 0.00 C ATOM 1145 C ILE A 123 -2.170 4.215 -10.515 1.00 0.00 C ATOM 1146 O ILE A 123 -1.403 3.848 -11.399 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.880 4.235 -7.951 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.147 4.989 -6.829 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.403 2.774 -8.007 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.656 4.696 -5.413 1.00 0.00 C ATOM 0 H ILE A 123 -2.742 6.486 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.555 5.049 -9.422 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.953 4.211 -7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.087 4.740 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.232 6.060 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.597 2.291 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.940 2.246 -8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.334 2.748 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.078 5.274 -4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.708 4.973 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.545 3.633 -5.199 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.495 4.134 -10.616 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.194 3.461 -11.732 1.00 0.00 C ATOM 1154 C PHE A 124 -3.808 4.018 -13.109 1.00 0.00 C ATOM 1155 O PHE A 124 -3.574 3.266 -14.055 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.711 3.546 -11.535 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.238 2.801 -10.306 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.672 1.560 -9.914 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.159 3.468 -9.469 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.985 1.021 -8.641 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.472 2.936 -8.202 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.861 1.733 -7.793 1.00 0.00 C ATOM 0 H PHE A 124 -4.128 4.534 -9.924 1.00 0.00 H new ATOM 0 HA PHE A 124 -3.877 2.418 -11.715 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -5.996 4.595 -11.457 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.202 3.148 -12.423 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.008 1.030 -10.581 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -7.623 4.385 -9.800 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.560 0.080 -8.325 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.171 3.443 -7.553 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.068 1.346 -6.806 1.00 0.00 H new