USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 660 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 70 LYS NZ :NH3+ 135:sc= -6.54! (180deg=-4.49!) USER MOD Set 1.2: A 71 GLN : amide:sc= -4.14! K(o=-11!,f=-0.61) USER MOD Set 2.1: A 3 CYS SG : rot -91:sc= -11.8! USER MOD Set 2.2: A 16 CYS SG : rot 117:sc= -5.15! USER MOD Set 2.3: A 23 CYS SG : rot -100:sc= -13.9! USER MOD Set 2.4: A 44 CYS SG : rot -76:sc= -12.6! USER MOD Set 2.5: A 60 CYS SG : rot -41:sc= -21.3! USER MOD Set 2.6: A 62 THR OG1 : rot 63:sc= -1.42! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27.1! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.2! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -42:sc= 0.259! USER MOD Set 3.2: A 59 CYS SG : rot 133:sc= -8.79! USER MOD Set 4.1: A 29 CYS SG : rot -141:sc= -3.8! USER MOD Set 4.2: A 33 CYS SG : rot -53:sc= 1.57! USER MOD Set 5.1: A 5 THR OG1 : rot -27:sc= 1.25 USER MOD Set 5.2: A 8 THR OG1 : rot 75:sc= -1.31 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 1 ILE N :NH3+ -117:sc= -0.205 (180deg=-0.483) USER MOD Single : A 4 HIS : no HD1:sc= -14! C(o=-14!,f=-13!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.87 USER MOD Single : A 12 SER OG : rot 180:sc= -0.669 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 21 ASN : amide:sc= -5.58! K(o=-5.6!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 143:sc= -1.33 (180deg=-1.73!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -111:sc= 0.976 (180deg=-0.428) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 86:sc= 1.17 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.964 (180deg=-1.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= -0.271 USER MOD Single : A 61 SER OG : rot 180:sc=-0.000991 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -1.44! (180deg=-1.84!) USER MOD Single : A 68 HIS : no HE2:sc= -37.3! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-0.6) USER MOD Single : B 1 HIS N :NH3+ 166:sc= -12.6! (180deg=-13.5!) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.182 USER MOD Single : B 4 TYR OH : rot -118:sc= -0.423 USER MOD Single : B 6 SER OG : rot 2:sc= -2.27! USER MOD Single : B 7 SER OG : rot 60:sc= -7.21! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.005 6.565 12.305 1.00 0.00 N ATOM 2 CA ILE A 1 -6.585 6.702 10.980 1.00 0.00 C ATOM 3 C ILE A 1 -6.862 5.311 10.404 1.00 0.00 C ATOM 4 O ILE A 1 -6.791 4.314 11.119 1.00 0.00 O ATOM 5 CB ILE A 1 -5.691 7.569 10.090 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.306 6.941 9.925 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.613 9.001 10.623 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.565 7.551 8.735 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.643 6.989 13.009 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.870 5.557 12.523 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.086 7.051 12.334 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.541 7.222 11.034 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.140 7.618 9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.725 7.090 10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.405 5.865 9.783 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.972 9.597 9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.612 9.436 10.645 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.199 8.992 11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.583 7.087 8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.137 7.379 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.446 8.623 8.891 1.00 0.00 H new ATOM 20 N VAL A 2 -7.175 5.290 9.117 1.00 0.00 N ATOM 21 CA VAL A 2 -7.464 4.040 8.436 1.00 0.00 C ATOM 22 C VAL A 2 -6.563 3.913 7.207 1.00 0.00 C ATOM 23 O VAL A 2 -6.069 4.913 6.688 1.00 0.00 O ATOM 24 CB VAL A 2 -8.954 3.962 8.096 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.368 2.523 7.777 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.805 4.539 9.228 1.00 0.00 C ATOM 0 H VAL A 2 -7.235 6.120 8.527 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.248 3.192 9.086 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.127 4.566 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.431 2.495 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.795 2.160 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.173 1.888 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.860 4.472 8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.625 3.974 10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.537 5.583 9.388 1.00 0.00 H new ATOM 36 N CYS A 3 -6.376 2.674 6.775 1.00 0.00 N ATOM 37 CA CYS A 3 -5.542 2.403 5.617 1.00 0.00 C ATOM 38 C CYS A 3 -6.133 1.206 4.869 1.00 0.00 C ATOM 39 O CYS A 3 -6.751 0.333 5.478 1.00 0.00 O ATOM 40 CB CYS A 3 -4.084 2.166 6.012 1.00 0.00 C ATOM 41 SG CYS A 3 -3.670 3.150 7.498 1.00 0.00 S ATOM 0 H CYS A 3 -6.788 1.847 7.207 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.534 3.273 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.920 1.107 6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.426 2.442 5.188 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.211 4.311 7.136 1.00 0.00 H new ATOM 47 N HIS A 4 -5.921 1.201 3.561 1.00 0.00 N ATOM 48 CA HIS A 4 -6.425 0.126 2.725 1.00 0.00 C ATOM 49 C HIS A 4 -5.432 -1.039 2.734 1.00 0.00 C ATOM 50 O HIS A 4 -4.224 -0.829 2.828 1.00 0.00 O ATOM 51 CB HIS A 4 -6.731 0.632 1.315 1.00 0.00 C ATOM 52 CG HIS A 4 -7.378 1.996 1.278 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.623 2.250 1.825 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.936 3.178 0.760 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.910 3.531 1.635 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.863 4.103 0.975 1.00 0.00 N ATOM 0 H HIS A 4 -5.406 1.925 3.060 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.368 -0.242 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.804 0.666 0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.386 -0.083 0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.992 3.335 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.814 4.033 1.948 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.802 5.081 0.693 1.00 0.00 H new ATOM 65 N THR A 5 -5.979 -2.241 2.634 1.00 0.00 N ATOM 66 CA THR A 5 -5.157 -3.440 2.629 1.00 0.00 C ATOM 67 C THR A 5 -5.225 -4.128 1.264 1.00 0.00 C ATOM 68 O THR A 5 -6.284 -4.598 0.854 1.00 0.00 O ATOM 69 CB THR A 5 -5.618 -4.334 3.783 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.651 -5.132 3.214 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.322 -3.545 4.889 1.00 0.00 C ATOM 0 H THR A 5 -6.982 -2.411 2.556 1.00 0.00 H new ATOM 0 HA THR A 5 -4.105 -3.199 2.785 1.00 0.00 H new ATOM 0 HB THR A 5 -4.759 -4.858 4.201 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.068 -4.647 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.629 -4.226 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.639 -2.799 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.201 -3.047 4.478 1.00 0.00 H new ATOM 79 N THR A 6 -4.079 -4.163 0.600 1.00 0.00 N ATOM 80 CA THR A 6 -3.994 -4.786 -0.711 1.00 0.00 C ATOM 81 C THR A 6 -3.327 -6.158 -0.609 1.00 0.00 C ATOM 82 O THR A 6 -3.445 -6.980 -1.516 1.00 0.00 O ATOM 83 CB THR A 6 -3.261 -3.821 -1.647 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.823 -2.771 -0.787 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.205 -3.128 -2.631 1.00 0.00 C ATOM 0 H THR A 6 -3.203 -3.771 0.944 1.00 0.00 H new ATOM 0 HA THR A 6 -4.985 -4.973 -1.124 1.00 0.00 H new ATOM 0 HB THR A 6 -2.495 -4.364 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.585 -2.202 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.634 -2.455 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.704 -3.877 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.951 -2.557 -2.079 1.00 0.00 H new ATOM 93 N ALA A 7 -2.638 -6.363 0.504 1.00 0.00 N ATOM 94 CA ALA A 7 -1.950 -7.621 0.738 1.00 0.00 C ATOM 95 C ALA A 7 -2.934 -8.635 1.324 1.00 0.00 C ATOM 96 O ALA A 7 -3.031 -9.762 0.842 1.00 0.00 O ATOM 97 CB ALA A 7 -0.745 -7.383 1.651 1.00 0.00 C ATOM 0 H ALA A 7 -2.542 -5.678 1.254 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.573 -8.031 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.229 -8.327 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.062 -6.679 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.085 -6.973 2.602 1.00 0.00 H new ATOM 103 N THR A 8 -3.640 -8.196 2.356 1.00 0.00 N ATOM 104 CA THR A 8 -4.614 -9.052 3.013 1.00 0.00 C ATOM 105 C THR A 8 -5.864 -9.204 2.143 1.00 0.00 C ATOM 106 O THR A 8 -5.854 -9.941 1.159 1.00 0.00 O ATOM 107 CB THR A 8 -4.902 -8.464 4.395 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.751 -7.060 4.214 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.828 -8.826 5.422 1.00 0.00 C ATOM 0 H THR A 8 -3.557 -7.260 2.753 1.00 0.00 H new ATOM 0 HA THR A 8 -4.227 -10.062 3.148 1.00 0.00 H new ATOM 0 HB THR A 8 -5.871 -8.819 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.530 -6.706 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.082 -8.383 6.385 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.773 -9.910 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.863 -8.443 5.090 1.00 0.00 H new ATOM 117 N SER A 9 -6.910 -8.493 2.539 1.00 0.00 N ATOM 118 CA SER A 9 -8.165 -8.540 1.810 1.00 0.00 C ATOM 119 C SER A 9 -7.972 -7.976 0.400 1.00 0.00 C ATOM 120 O SER A 9 -6.846 -7.887 -0.088 1.00 0.00 O ATOM 121 CB SER A 9 -9.261 -7.764 2.545 1.00 0.00 C ATOM 122 OG SER A 9 -9.002 -7.674 3.944 1.00 0.00 O ATOM 0 H SER A 9 -6.913 -7.881 3.355 1.00 0.00 H new ATOM 0 HA SER A 9 -8.480 -9.581 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.340 -6.761 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.222 -8.253 2.384 1.00 0.00 H new ATOM 0 HG SER A 9 -9.722 -7.171 4.378 1.00 0.00 H new ATOM 128 N PRO A 10 -9.117 -7.599 -0.231 1.00 0.00 N ATOM 129 CA PRO A 10 -9.084 -7.046 -1.574 1.00 0.00 C ATOM 130 C PRO A 10 -8.577 -5.602 -1.561 1.00 0.00 C ATOM 131 O PRO A 10 -7.620 -5.271 -2.258 1.00 0.00 O ATOM 132 CB PRO A 10 -10.510 -7.170 -2.086 1.00 0.00 C ATOM 133 CG PRO A 10 -11.380 -7.354 -0.852 1.00 0.00 C ATOM 134 CD PRO A 10 -10.468 -7.690 0.316 1.00 0.00 C ATOM 0 HA PRO A 10 -8.392 -7.575 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.804 -6.280 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.609 -8.017 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.946 -6.446 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.105 -8.152 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.609 -6.993 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.672 -8.688 0.703 1.00 0.00 H new ATOM 142 N ILE A 11 -9.240 -4.783 -0.758 1.00 0.00 N ATOM 143 CA ILE A 11 -8.868 -3.383 -0.645 1.00 0.00 C ATOM 144 C ILE A 11 -9.990 -2.617 0.060 1.00 0.00 C ATOM 145 O ILE A 11 -11.013 -2.309 -0.548 1.00 0.00 O ATOM 146 CB ILE A 11 -8.504 -2.813 -2.017 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.000 -2.545 -2.117 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.331 -1.565 -2.329 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.630 -2.004 -3.500 1.00 0.00 C ATOM 0 H ILE A 11 -10.032 -5.062 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.973 -3.275 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.749 -3.558 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.703 -1.829 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.449 -3.466 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.053 -1.180 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.391 -1.821 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.140 -0.804 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.556 -1.822 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.906 -2.733 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.164 -1.071 -3.680 1.00 0.00 H new ATOM 161 N SER A 12 -9.757 -2.334 1.334 1.00 0.00 N ATOM 162 CA SER A 12 -10.736 -1.611 2.129 1.00 0.00 C ATOM 163 C SER A 12 -10.036 -0.867 3.268 1.00 0.00 C ATOM 164 O SER A 12 -9.124 -1.401 3.896 1.00 0.00 O ATOM 165 CB SER A 12 -11.799 -2.557 2.688 1.00 0.00 C ATOM 166 OG SER A 12 -11.291 -3.371 3.740 1.00 0.00 O ATOM 0 H SER A 12 -8.906 -2.592 1.834 1.00 0.00 H new ATOM 0 HA SER A 12 -11.236 -0.889 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.644 -1.975 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.175 -3.193 1.887 1.00 0.00 H new ATOM 0 HG SER A 12 -12.002 -3.959 4.071 1.00 0.00 H new ATOM 172 N ALA A 13 -10.492 0.356 3.501 1.00 0.00 N ATOM 173 CA ALA A 13 -9.921 1.179 4.554 1.00 0.00 C ATOM 174 C ALA A 13 -10.433 0.692 5.911 1.00 0.00 C ATOM 175 O ALA A 13 -11.552 1.015 6.307 1.00 0.00 O ATOM 176 CB ALA A 13 -10.262 2.648 4.295 1.00 0.00 C ATOM 0 H ALA A 13 -11.250 0.796 2.979 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.834 1.093 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.834 3.266 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.851 2.953 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.345 2.774 4.283 1.00 0.00 H new ATOM 182 N VAL A 14 -9.590 -0.078 6.584 1.00 0.00 N ATOM 183 CA VAL A 14 -9.943 -0.613 7.888 1.00 0.00 C ATOM 184 C VAL A 14 -8.838 -0.274 8.890 1.00 0.00 C ATOM 185 O VAL A 14 -7.665 -0.545 8.640 1.00 0.00 O ATOM 186 CB VAL A 14 -10.214 -2.115 7.780 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.769 -2.475 6.401 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.952 -2.923 8.092 1.00 0.00 C ATOM 0 H VAL A 14 -8.664 -0.344 6.250 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.863 -0.156 8.253 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.970 -2.373 8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.953 -3.548 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.703 -1.939 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.047 -2.195 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.171 -3.987 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.166 -2.658 7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.618 -2.700 9.105 1.00 0.00 H new ATOM 198 N THR A 15 -9.253 0.314 10.003 1.00 0.00 N ATOM 199 CA THR A 15 -8.313 0.692 11.044 1.00 0.00 C ATOM 200 C THR A 15 -7.365 -0.468 11.356 1.00 0.00 C ATOM 201 O THR A 15 -7.776 -1.628 11.348 1.00 0.00 O ATOM 202 CB THR A 15 -9.115 1.166 12.257 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.114 2.018 11.703 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.305 2.086 13.172 1.00 0.00 C ATOM 0 H THR A 15 -10.227 0.538 10.206 1.00 0.00 H new ATOM 0 HA THR A 15 -7.673 1.513 10.719 1.00 0.00 H new ATOM 0 HB THR A 15 -9.458 0.301 12.825 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.681 2.368 12.422 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.921 2.393 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.427 1.554 13.538 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.989 2.967 12.614 1.00 0.00 H new ATOM 212 N CYS A 16 -6.116 -0.116 11.622 1.00 0.00 N ATOM 213 CA CYS A 16 -5.109 -1.114 11.936 1.00 0.00 C ATOM 214 C CYS A 16 -4.951 -1.177 13.457 1.00 0.00 C ATOM 215 O CYS A 16 -5.611 -0.437 14.184 1.00 0.00 O ATOM 216 CB CYS A 16 -3.780 -0.816 11.237 1.00 0.00 C ATOM 217 SG CYS A 16 -3.363 -2.172 10.081 1.00 0.00 S ATOM 0 H CYS A 16 -5.779 0.847 11.626 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.431 -2.087 11.565 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.848 0.127 10.695 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.988 -0.702 11.977 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.339 -1.713 8.865 1.00 0.00 H new ATOM 223 N PRO A 17 -4.050 -2.092 13.904 1.00 0.00 N ATOM 224 CA PRO A 17 -3.798 -2.261 15.325 1.00 0.00 C ATOM 225 C PRO A 17 -2.953 -1.110 15.873 1.00 0.00 C ATOM 226 O PRO A 17 -2.663 -0.152 15.157 1.00 0.00 O ATOM 227 CB PRO A 17 -3.111 -3.612 15.444 1.00 0.00 C ATOM 228 CG PRO A 17 -2.587 -3.937 14.054 1.00 0.00 C ATOM 229 CD PRO A 17 -3.250 -2.986 13.072 1.00 0.00 C ATOM 0 HA PRO A 17 -4.711 -2.239 15.920 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.298 -3.574 16.169 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.809 -4.376 15.787 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.503 -3.827 14.019 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.811 -4.972 13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.509 -2.433 12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.872 -3.525 12.358 1.00 0.00 H new ATOM 237 N PRO A 18 -2.571 -1.245 17.170 1.00 0.00 N ATOM 238 CA PRO A 18 -1.765 -0.227 17.825 1.00 0.00 C ATOM 239 C PRO A 18 -0.311 -0.294 17.353 1.00 0.00 C ATOM 240 O PRO A 18 0.381 -1.280 17.599 1.00 0.00 O ATOM 241 CB PRO A 18 -1.921 -0.496 19.311 1.00 0.00 C ATOM 242 CG PRO A 18 -2.426 -1.925 19.426 1.00 0.00 C ATOM 243 CD PRO A 18 -2.895 -2.365 18.049 1.00 0.00 C ATOM 0 HA PRO A 18 -2.087 0.786 17.583 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.971 -0.375 19.832 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.624 0.204 19.763 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.635 -2.582 19.788 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.243 -1.985 20.145 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.389 -3.277 17.731 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.964 -2.576 18.044 1.00 0.00 H new ATOM 251 N GLY A 19 0.111 0.769 16.683 1.00 0.00 N ATOM 252 CA GLY A 19 1.469 0.844 16.176 1.00 0.00 C ATOM 253 C GLY A 19 1.546 1.748 14.944 1.00 0.00 C ATOM 254 O GLY A 19 2.311 2.712 14.924 1.00 0.00 O ATOM 0 H GLY A 19 -0.465 1.586 16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.131 1.226 16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.821 -0.155 15.921 1.00 0.00 H new ATOM 258 N GLU A 20 0.745 1.406 13.947 1.00 0.00 N ATOM 259 CA GLU A 20 0.711 2.176 12.715 1.00 0.00 C ATOM 260 C GLU A 20 0.145 3.572 12.976 1.00 0.00 C ATOM 261 O GLU A 20 -1.061 3.736 13.147 1.00 0.00 O ATOM 262 CB GLU A 20 -0.096 1.450 11.636 1.00 0.00 C ATOM 263 CG GLU A 20 0.492 0.067 11.348 1.00 0.00 C ATOM 264 CD GLU A 20 -0.081 -0.982 12.303 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.066 -2.189 12.059 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.697 -0.506 13.332 1.00 0.00 O ATOM 0 H GLU A 20 0.114 0.605 13.967 1.00 0.00 H new ATOM 0 HA GLU A 20 1.732 2.282 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.132 1.348 11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.104 2.043 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.276 -0.217 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.577 0.101 11.448 1.00 0.00 H new ATOM 274 N ASN A 21 1.044 4.546 12.999 1.00 0.00 N ATOM 275 CA ASN A 21 0.651 5.923 13.237 1.00 0.00 C ATOM 276 C ASN A 21 0.210 6.559 11.916 1.00 0.00 C ATOM 277 O ASN A 21 -0.062 7.757 11.861 1.00 0.00 O ATOM 278 CB ASN A 21 1.819 6.743 13.789 1.00 0.00 C ATOM 279 CG ASN A 21 2.537 5.987 14.909 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.677 6.265 15.249 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.812 5.018 15.459 1.00 0.00 N ATOM 0 H ASN A 21 2.044 4.407 12.856 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.162 5.920 13.963 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.522 6.967 12.987 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.452 7.697 14.166 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.203 4.454 16.213 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.865 4.839 15.127 1.00 0.00 H new ATOM 288 N LEU A 22 0.154 5.727 10.887 1.00 0.00 N ATOM 289 CA LEU A 22 -0.247 6.194 9.570 1.00 0.00 C ATOM 290 C LEU A 22 -0.385 4.995 8.630 1.00 0.00 C ATOM 291 O LEU A 22 -0.332 3.847 9.069 1.00 0.00 O ATOM 292 CB LEU A 22 0.719 7.265 9.063 1.00 0.00 C ATOM 293 CG LEU A 22 2.130 6.786 8.715 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.426 6.984 7.227 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.174 7.467 9.604 1.00 0.00 C ATOM 0 H LEU A 22 0.379 4.733 10.938 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.223 6.677 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.285 7.727 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.798 8.043 9.822 1.00 0.00 H new ATOM 0 HG LEU A 22 2.186 5.716 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.435 6.635 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.709 6.416 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.345 8.042 6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.168 7.109 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.126 8.546 9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.972 7.231 10.649 1.00 0.00 H new ATOM 307 N CYS A 23 -0.560 5.302 7.353 1.00 0.00 N ATOM 308 CA CYS A 23 -0.705 4.263 6.346 1.00 0.00 C ATOM 309 C CYS A 23 0.611 4.153 5.575 1.00 0.00 C ATOM 310 O CYS A 23 1.612 4.756 5.959 1.00 0.00 O ATOM 311 CB CYS A 23 -1.889 4.538 5.417 1.00 0.00 C ATOM 312 SG CYS A 23 -3.216 5.405 6.333 1.00 0.00 S ATOM 0 H CYS A 23 -0.605 6.255 6.992 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.921 3.311 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.565 5.143 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.269 3.600 5.011 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.135 4.552 6.677 1.00 0.00 H new ATOM 318 N TYR A 24 0.569 3.377 4.502 1.00 0.00 N ATOM 319 CA TYR A 24 1.747 3.179 3.675 1.00 0.00 C ATOM 320 C TYR A 24 1.380 2.507 2.351 1.00 0.00 C ATOM 321 O TYR A 24 0.269 2.002 2.194 1.00 0.00 O ATOM 322 CB TYR A 24 2.668 2.250 4.467 1.00 0.00 C ATOM 323 CG TYR A 24 2.259 0.777 4.416 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.737 -0.038 3.409 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.412 0.261 5.376 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.354 -1.424 3.360 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.028 -1.125 5.326 1.00 0.00 C ATOM 328 CZ TYR A 24 1.517 -1.900 4.322 1.00 0.00 C ATOM 329 OH TYR A 24 1.154 -3.209 4.276 1.00 0.00 O ATOM 0 H TYR A 24 -0.263 2.878 4.186 1.00 0.00 H new ATOM 0 HA TYR A 24 2.218 4.134 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.683 2.348 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.688 2.575 5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.399 0.365 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.038 0.897 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.722 -2.072 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.365 -1.541 6.071 1.00 0.00 H new ATOM 0 HH TYR A 24 0.555 -3.409 5.025 1.00 0.00 H new ATOM 339 N ARG A 25 2.334 2.520 1.432 1.00 0.00 N ATOM 340 CA ARG A 25 2.126 1.918 0.126 1.00 0.00 C ATOM 341 C ARG A 25 3.355 1.109 -0.288 1.00 0.00 C ATOM 342 O ARG A 25 4.338 1.671 -0.770 1.00 0.00 O ATOM 343 CB ARG A 25 1.843 2.986 -0.934 1.00 0.00 C ATOM 344 CG ARG A 25 1.054 4.153 -0.340 1.00 0.00 C ATOM 345 CD ARG A 25 1.192 5.406 -1.206 1.00 0.00 C ATOM 346 NE ARG A 25 -0.141 5.854 -1.667 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.355 6.551 -2.802 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.677 6.888 -3.605 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.589 6.900 -3.117 1.00 0.00 N ATOM 0 H ARG A 25 3.254 2.939 1.566 1.00 0.00 H new ATOM 0 HA ARG A 25 1.262 1.258 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.783 3.351 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.282 2.546 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.002 3.880 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.411 4.362 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.674 6.200 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.831 5.196 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.949 5.621 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.628 6.615 -3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.506 7.415 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.364 6.642 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.767 7.427 -3.972 1.00 0.00 H new ATOM 363 N LYS A 26 3.261 -0.197 -0.088 1.00 0.00 N ATOM 364 CA LYS A 26 4.355 -1.089 -0.435 1.00 0.00 C ATOM 365 C LYS A 26 4.287 -1.415 -1.928 1.00 0.00 C ATOM 366 O LYS A 26 3.225 -1.318 -2.540 1.00 0.00 O ATOM 367 CB LYS A 26 4.344 -2.324 0.466 1.00 0.00 C ATOM 368 CG LYS A 26 5.615 -2.394 1.316 1.00 0.00 C ATOM 369 CD LYS A 26 5.526 -3.525 2.343 1.00 0.00 C ATOM 370 CE LYS A 26 5.229 -2.976 3.740 1.00 0.00 C ATOM 371 NZ LYS A 26 6.120 -3.602 4.743 1.00 0.00 N ATOM 0 H LYS A 26 2.444 -0.660 0.310 1.00 0.00 H new ATOM 0 HA LYS A 26 5.315 -0.603 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.469 -2.297 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.260 -3.223 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.480 -2.551 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.767 -1.444 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.744 -4.226 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.463 -4.081 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.365 -1.895 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.188 -3.169 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.905 -3.218 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.971 -4.631 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.111 -3.397 4.503 1.00 0.00 H new ATOM 385 N MET A 27 5.434 -1.795 -2.470 1.00 0.00 N ATOM 386 CA MET A 27 5.518 -2.136 -3.880 1.00 0.00 C ATOM 387 C MET A 27 6.610 -3.180 -4.128 1.00 0.00 C ATOM 388 O MET A 27 7.589 -3.246 -3.386 1.00 0.00 O ATOM 389 CB MET A 27 5.822 -0.876 -4.694 1.00 0.00 C ATOM 390 CG MET A 27 4.598 -0.434 -5.497 1.00 0.00 C ATOM 391 SD MET A 27 4.685 1.318 -5.827 1.00 0.00 S ATOM 392 CE MET A 27 3.004 1.620 -6.345 1.00 0.00 C ATOM 0 H MET A 27 6.313 -1.874 -1.959 1.00 0.00 H new ATOM 0 HA MET A 27 4.562 -2.557 -4.190 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.132 -0.073 -4.026 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.655 -1.068 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.549 -0.987 -6.435 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.687 -0.663 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.679 2.593 -5.977 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.951 1.608 -7.434 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.354 0.844 -5.941 1.00 0.00 H new ATOM 402 N TRP A 28 6.404 -3.968 -5.173 1.00 0.00 N ATOM 403 CA TRP A 28 7.358 -5.005 -5.526 1.00 0.00 C ATOM 404 C TRP A 28 6.990 -5.533 -6.914 1.00 0.00 C ATOM 405 O TRP A 28 7.298 -4.901 -7.924 1.00 0.00 O ATOM 406 CB TRP A 28 7.397 -6.103 -4.461 1.00 0.00 C ATOM 407 CG TRP A 28 6.062 -6.324 -3.747 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.907 -6.759 -4.273 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.786 -6.100 -2.349 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.914 -6.834 -3.318 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.465 -6.421 -2.111 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.626 -5.644 -1.317 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.866 -6.319 -0.849 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.012 -5.547 -0.063 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.685 -5.864 0.193 1.00 0.00 C ATOM 0 H TRP A 28 5.591 -3.909 -5.786 1.00 0.00 H new ATOM 0 HA TRP A 28 8.369 -4.600 -5.563 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.707 -7.038 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.156 -5.850 -3.721 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.772 -7.018 -5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.952 -7.137 -3.470 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.663 -5.389 -1.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.830 -6.577 -0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.614 -5.201 0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.286 -5.760 1.191 1.00 0.00 H new ATOM 426 N CYS A 29 6.336 -6.685 -6.919 1.00 0.00 N ATOM 427 CA CYS A 29 5.922 -7.305 -8.168 1.00 0.00 C ATOM 428 C CYS A 29 5.101 -8.553 -7.836 1.00 0.00 C ATOM 429 O CYS A 29 5.595 -9.467 -7.176 1.00 0.00 O ATOM 430 CB CYS A 29 7.120 -7.631 -9.061 1.00 0.00 C ATOM 431 SG CYS A 29 7.071 -6.601 -10.574 1.00 0.00 S ATOM 0 H CYS A 29 6.082 -7.206 -6.079 1.00 0.00 H new ATOM 0 HA CYS A 29 5.307 -6.608 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.048 -7.451 -8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.107 -8.687 -9.330 1.00 0.00 H new ATOM 0 HG CYS A 29 7.446 -7.312 -11.596 1.00 0.00 H new ATOM 437 N ASP A 30 3.864 -8.551 -8.306 1.00 0.00 N ATOM 438 CA ASP A 30 2.969 -9.671 -8.068 1.00 0.00 C ATOM 439 C ASP A 30 3.687 -10.975 -8.427 1.00 0.00 C ATOM 440 O ASP A 30 4.830 -10.954 -8.879 1.00 0.00 O ATOM 441 CB ASP A 30 1.714 -9.569 -8.934 1.00 0.00 C ATOM 442 CG ASP A 30 0.604 -10.563 -8.586 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.515 -11.046 -7.447 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.201 -10.842 -9.554 1.00 0.00 O ATOM 0 H ASP A 30 3.459 -7.791 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 30 2.682 -9.656 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.315 -8.558 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.998 -9.715 -9.976 1.00 0.00 H new ATOM 450 N ALA A 31 2.983 -12.077 -8.211 1.00 0.00 N ATOM 451 CA ALA A 31 3.538 -13.388 -8.506 1.00 0.00 C ATOM 452 C ALA A 31 3.595 -13.582 -10.023 1.00 0.00 C ATOM 453 O ALA A 31 4.045 -14.622 -10.501 1.00 0.00 O ATOM 454 CB ALA A 31 2.702 -14.465 -7.810 1.00 0.00 C ATOM 0 H ALA A 31 2.035 -12.089 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 31 4.556 -13.470 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.118 -15.448 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.718 -14.298 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.674 -14.417 -8.170 1.00 0.00 H new ATOM 460 N PHE A 32 3.132 -12.567 -10.735 1.00 0.00 N ATOM 461 CA PHE A 32 3.125 -12.614 -12.187 1.00 0.00 C ATOM 462 C PHE A 32 4.005 -11.510 -12.777 1.00 0.00 C ATOM 463 O PHE A 32 4.328 -11.535 -13.963 1.00 0.00 O ATOM 464 CB PHE A 32 1.679 -12.391 -12.635 1.00 0.00 C ATOM 465 CG PHE A 32 0.752 -13.577 -12.362 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.594 -14.038 -11.091 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.087 -14.172 -13.387 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.265 -15.139 -10.837 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.772 -15.273 -13.133 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.931 -15.733 -11.864 1.00 0.00 C ATOM 0 H PHE A 32 2.759 -11.707 -10.334 1.00 0.00 H new ATOM 0 HA PHE A 32 3.514 -13.573 -12.529 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.284 -11.511 -12.128 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.670 -12.175 -13.703 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.122 -13.566 -10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.212 -13.807 -14.396 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.390 -15.505 -9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.299 -15.745 -13.948 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.586 -16.570 -11.671 1.00 0.00 H new ATOM 480 N CYS A 33 4.366 -10.565 -11.920 1.00 0.00 N ATOM 481 CA CYS A 33 5.202 -9.453 -12.341 1.00 0.00 C ATOM 482 C CYS A 33 4.813 -9.075 -13.771 1.00 0.00 C ATOM 483 O CYS A 33 5.641 -9.131 -14.680 1.00 0.00 O ATOM 484 CB CYS A 33 6.690 -9.790 -12.224 1.00 0.00 C ATOM 485 SG CYS A 33 7.676 -8.615 -13.222 1.00 0.00 S ATOM 0 H CYS A 33 4.095 -10.547 -10.937 1.00 0.00 H new ATOM 0 HA CYS A 33 5.037 -8.600 -11.683 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.001 -9.744 -11.180 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.869 -10.810 -12.565 1.00 0.00 H new ATOM 0 HG CYS A 33 7.216 -8.585 -14.437 1.00 0.00 H new ATOM 491 N SER A 34 3.553 -8.696 -13.927 1.00 0.00 N ATOM 492 CA SER A 34 3.043 -8.309 -15.232 1.00 0.00 C ATOM 493 C SER A 34 3.697 -7.000 -15.681 1.00 0.00 C ATOM 494 O SER A 34 4.468 -6.399 -14.934 1.00 0.00 O ATOM 495 CB SER A 34 1.521 -8.160 -15.207 1.00 0.00 C ATOM 496 OG SER A 34 0.868 -9.394 -14.923 1.00 0.00 O ATOM 0 H SER A 34 2.870 -8.649 -13.171 1.00 0.00 H new ATOM 0 HA SER A 34 3.292 -9.096 -15.944 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.241 -7.421 -14.456 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.178 -7.782 -16.170 1.00 0.00 H new ATOM 0 HG SER A 34 -0.102 -9.256 -14.914 1.00 0.00 H new ATOM 502 N SER A 35 3.367 -6.599 -16.899 1.00 0.00 N ATOM 503 CA SER A 35 3.913 -5.373 -17.456 1.00 0.00 C ATOM 504 C SER A 35 3.377 -4.164 -16.688 1.00 0.00 C ATOM 505 O SER A 35 3.809 -3.036 -16.918 1.00 0.00 O ATOM 506 CB SER A 35 3.577 -5.248 -18.944 1.00 0.00 C ATOM 507 OG SER A 35 3.874 -6.442 -19.661 1.00 0.00 O ATOM 0 H SER A 35 2.729 -7.101 -17.516 1.00 0.00 H new ATOM 0 HA SER A 35 4.998 -5.406 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.519 -5.011 -19.058 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.138 -4.418 -19.374 1.00 0.00 H new ATOM 0 HG SER A 35 3.644 -6.322 -20.606 1.00 0.00 H new ATOM 513 N ARG A 36 2.443 -4.441 -15.789 1.00 0.00 N ATOM 514 CA ARG A 36 1.842 -3.390 -14.986 1.00 0.00 C ATOM 515 C ARG A 36 2.850 -2.865 -13.960 1.00 0.00 C ATOM 516 O ARG A 36 2.522 -2.000 -13.149 1.00 0.00 O ATOM 517 CB ARG A 36 0.598 -3.898 -14.254 1.00 0.00 C ATOM 518 CG ARG A 36 -0.340 -4.633 -15.214 1.00 0.00 C ATOM 519 CD ARG A 36 -0.989 -3.659 -16.200 1.00 0.00 C ATOM 520 NE ARG A 36 -2.311 -3.230 -15.693 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.326 -2.819 -16.480 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.180 -2.779 -17.822 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.466 -2.459 -15.920 1.00 0.00 N ATOM 0 H ARG A 36 2.088 -5.378 -15.599 1.00 0.00 H new ATOM 0 HA ARG A 36 1.549 -2.585 -15.659 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.895 -4.567 -13.446 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.073 -3.059 -13.797 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.217 -5.393 -15.762 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.113 -5.151 -14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.346 -2.791 -16.342 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.101 -4.136 -17.174 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.464 -3.246 -14.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.297 -3.061 -18.248 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.953 -2.467 -18.410 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.569 -2.494 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.243 -2.146 -16.501 1.00 0.00 H new ATOM 537 N GLY A 37 4.056 -3.408 -14.032 1.00 0.00 N ATOM 538 CA GLY A 37 5.112 -3.006 -13.119 1.00 0.00 C ATOM 539 C GLY A 37 5.042 -3.800 -11.814 1.00 0.00 C ATOM 540 O GLY A 37 4.994 -5.030 -11.832 1.00 0.00 O ATOM 0 H GLY A 37 4.325 -4.123 -14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.083 -3.160 -13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.026 -1.941 -12.905 1.00 0.00 H new ATOM 544 N LYS A 38 5.039 -3.066 -10.711 1.00 0.00 N ATOM 545 CA LYS A 38 4.975 -3.687 -9.398 1.00 0.00 C ATOM 546 C LYS A 38 3.523 -3.703 -8.917 1.00 0.00 C ATOM 547 O LYS A 38 2.606 -3.420 -9.687 1.00 0.00 O ATOM 548 CB LYS A 38 5.936 -2.994 -8.431 1.00 0.00 C ATOM 549 CG LYS A 38 7.130 -2.395 -9.178 1.00 0.00 C ATOM 550 CD LYS A 38 7.668 -3.373 -10.225 1.00 0.00 C ATOM 551 CE LYS A 38 9.198 -3.354 -10.259 1.00 0.00 C ATOM 552 NZ LYS A 38 9.750 -3.929 -9.012 1.00 0.00 N ATOM 0 H LYS A 38 5.080 -2.047 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 38 5.305 -4.724 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.409 -2.208 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.289 -3.710 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.831 -1.466 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.919 -2.145 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.318 -4.381 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.276 -3.111 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.556 -3.922 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.552 -2.331 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.204 -3.177 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.981 -4.356 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.453 -4.658 -9.247 1.00 0.00 H new ATOM 566 N VAL A 39 3.358 -4.038 -7.645 1.00 0.00 N ATOM 567 CA VAL A 39 2.034 -4.095 -7.053 1.00 0.00 C ATOM 568 C VAL A 39 1.825 -2.869 -6.161 1.00 0.00 C ATOM 569 O VAL A 39 2.566 -1.892 -6.261 1.00 0.00 O ATOM 570 CB VAL A 39 1.853 -5.417 -6.302 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.373 -5.792 -6.202 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.660 -6.537 -6.962 1.00 0.00 C ATOM 0 H VAL A 39 4.120 -4.272 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 39 1.268 -4.068 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 39 2.233 -5.283 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.272 -6.735 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.165 -5.010 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.044 -5.899 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.514 -7.465 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.324 -6.670 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.718 -6.275 -6.957 1.00 0.00 H new ATOM 582 N VAL A 40 0.814 -2.960 -5.310 1.00 0.00 N ATOM 583 CA VAL A 40 0.497 -1.870 -4.403 1.00 0.00 C ATOM 584 C VAL A 40 -0.178 -2.434 -3.152 1.00 0.00 C ATOM 585 O VAL A 40 -1.396 -2.342 -3.004 1.00 0.00 O ATOM 586 CB VAL A 40 -0.353 -0.821 -5.121 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.200 0.552 -4.463 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.003 -0.758 -6.609 1.00 0.00 C ATOM 0 H VAL A 40 0.203 -3.773 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 40 1.407 -1.364 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.398 -1.119 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.815 1.280 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.521 0.495 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.845 0.861 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.621 -0.004 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.048 -0.495 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.186 -1.730 -7.067 1.00 0.00 H new ATOM 598 N GLU A 41 0.641 -3.005 -2.281 1.00 0.00 N ATOM 599 CA GLU A 41 0.137 -3.585 -1.048 1.00 0.00 C ATOM 600 C GLU A 41 0.173 -2.548 0.079 1.00 0.00 C ATOM 601 O GLU A 41 0.969 -2.667 1.009 1.00 0.00 O ATOM 602 CB GLU A 41 0.928 -4.837 -0.666 1.00 0.00 C ATOM 603 CG GLU A 41 1.177 -5.722 -1.889 1.00 0.00 C ATOM 604 CD GLU A 41 0.836 -7.182 -1.588 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.988 -7.632 -0.443 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.399 -7.859 -2.596 1.00 0.00 O ATOM 0 H GLU A 41 1.651 -3.078 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.899 -3.885 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.880 -4.548 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.381 -5.401 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.575 -5.369 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.221 -5.644 -2.192 1.00 0.00 H new ATOM 614 N LEU A 42 -0.698 -1.558 -0.044 1.00 0.00 N ATOM 615 CA LEU A 42 -0.774 -0.502 0.952 1.00 0.00 C ATOM 616 C LEU A 42 -1.301 -1.084 2.266 1.00 0.00 C ATOM 617 O LEU A 42 -1.566 -2.281 2.356 1.00 0.00 O ATOM 618 CB LEU A 42 -1.599 0.674 0.425 1.00 0.00 C ATOM 619 CG LEU A 42 -1.541 0.910 -1.085 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.776 0.333 -1.779 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.348 2.394 -1.402 1.00 0.00 C ATOM 0 H LEU A 42 -1.357 -1.464 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 42 0.218 -0.099 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.640 0.518 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.264 1.581 0.928 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.673 0.381 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.709 0.515 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.828 -0.740 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.672 0.813 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.310 2.533 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.181 2.965 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.415 2.743 -0.958 1.00 0.00 H new ATOM 633 N GLY A 43 -1.435 -0.208 3.251 1.00 0.00 N ATOM 634 CA GLY A 43 -1.925 -0.619 4.556 1.00 0.00 C ATOM 635 C GLY A 43 -1.536 0.396 5.632 1.00 0.00 C ATOM 636 O GLY A 43 -1.480 1.595 5.368 1.00 0.00 O ATOM 0 H GLY A 43 -1.213 0.784 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.010 -0.724 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.518 -1.598 4.810 1.00 0.00 H new ATOM 640 N CYS A 44 -1.277 -0.124 6.824 1.00 0.00 N ATOM 641 CA CYS A 44 -0.895 0.723 7.941 1.00 0.00 C ATOM 642 C CYS A 44 0.554 0.403 8.314 1.00 0.00 C ATOM 643 O CYS A 44 1.031 -0.703 8.068 1.00 0.00 O ATOM 644 CB CYS A 44 -1.843 0.551 9.130 1.00 0.00 C ATOM 645 SG CYS A 44 -3.574 0.478 8.546 1.00 0.00 S ATOM 0 H CYS A 44 -1.324 -1.120 7.040 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.970 1.771 7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.595 -0.361 9.674 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.720 1.381 9.826 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.979 1.674 8.237 1.00 0.00 H new ATOM 651 N ALA A 45 1.212 1.390 8.903 1.00 0.00 N ATOM 652 CA ALA A 45 2.597 1.227 9.313 1.00 0.00 C ATOM 653 C ALA A 45 2.986 2.375 10.245 1.00 0.00 C ATOM 654 O ALA A 45 2.533 3.504 10.069 1.00 0.00 O ATOM 655 CB ALA A 45 3.490 1.153 8.073 1.00 0.00 C ATOM 0 H ALA A 45 0.812 2.306 9.106 1.00 0.00 H new ATOM 0 HA ALA A 45 2.728 0.296 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.529 1.031 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.190 0.304 7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.388 2.072 7.496 1.00 0.00 H new ATOM 661 N ALA A 46 3.825 2.046 11.219 1.00 0.00 N ATOM 662 CA ALA A 46 4.280 3.035 12.179 1.00 0.00 C ATOM 663 C ALA A 46 4.832 4.250 11.431 1.00 0.00 C ATOM 664 O ALA A 46 4.499 5.388 11.757 1.00 0.00 O ATOM 665 CB ALA A 46 5.318 2.403 13.109 1.00 0.00 C ATOM 0 H ALA A 46 4.200 1.108 11.362 1.00 0.00 H new ATOM 0 HA ALA A 46 3.451 3.378 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.660 3.145 13.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.869 1.563 13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.166 2.050 12.522 1.00 0.00 H new ATOM 671 N THR A 47 5.667 3.968 10.442 1.00 0.00 N ATOM 672 CA THR A 47 6.269 5.023 9.645 1.00 0.00 C ATOM 673 C THR A 47 6.784 4.461 8.317 1.00 0.00 C ATOM 674 O THR A 47 6.965 3.253 8.179 1.00 0.00 O ATOM 675 CB THR A 47 7.359 5.688 10.487 1.00 0.00 C ATOM 676 OG1 THR A 47 8.133 4.597 10.977 1.00 0.00 O ATOM 677 CG2 THR A 47 6.803 6.348 11.750 1.00 0.00 C ATOM 0 H THR A 47 5.941 3.023 10.174 1.00 0.00 H new ATOM 0 HA THR A 47 5.536 5.784 9.377 1.00 0.00 H new ATOM 0 HB THR A 47 7.877 6.435 9.886 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.865 4.938 11.533 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.618 6.805 12.311 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.080 7.115 11.472 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.314 5.595 12.369 1.00 0.00 H new ATOM 685 N CYS A 48 7.004 5.365 7.375 1.00 0.00 N ATOM 686 CA CYS A 48 7.493 4.976 6.064 1.00 0.00 C ATOM 687 C CYS A 48 8.426 3.776 6.236 1.00 0.00 C ATOM 688 O CYS A 48 9.603 3.941 6.556 1.00 0.00 O ATOM 689 CB CYS A 48 8.185 6.139 5.350 1.00 0.00 C ATOM 690 SG CYS A 48 7.761 7.719 6.171 1.00 0.00 S ATOM 0 H CYS A 48 6.852 6.367 7.494 1.00 0.00 H new ATOM 0 HA CYS A 48 6.653 4.694 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.265 5.992 5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.878 6.169 4.305 1.00 0.00 H new ATOM 0 HG CYS A 48 6.498 7.723 6.478 1.00 0.00 H new ATOM 696 N PRO A 49 7.852 2.564 6.012 1.00 0.00 N ATOM 697 CA PRO A 49 8.619 1.337 6.140 1.00 0.00 C ATOM 698 C PRO A 49 9.558 1.151 4.947 1.00 0.00 C ATOM 699 O PRO A 49 10.345 0.207 4.912 1.00 0.00 O ATOM 700 CB PRO A 49 7.580 0.234 6.256 1.00 0.00 C ATOM 701 CG PRO A 49 6.283 0.824 5.725 1.00 0.00 C ATOM 702 CD PRO A 49 6.461 2.332 5.633 1.00 0.00 C ATOM 0 HA PRO A 49 9.276 1.340 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.875 -0.643 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.467 -0.089 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.046 0.407 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.452 0.577 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.259 2.694 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.776 2.853 6.302 1.00 0.00 H new ATOM 710 N SER A 50 9.443 2.067 3.995 1.00 0.00 N ATOM 711 CA SER A 50 10.272 2.016 2.804 1.00 0.00 C ATOM 712 C SER A 50 11.572 1.266 3.102 1.00 0.00 C ATOM 713 O SER A 50 12.167 1.447 4.163 1.00 0.00 O ATOM 714 CB SER A 50 10.576 3.422 2.282 1.00 0.00 C ATOM 715 OG SER A 50 10.191 3.582 0.921 1.00 0.00 O ATOM 0 H SER A 50 8.788 2.848 4.026 1.00 0.00 H new ATOM 0 HA SER A 50 9.723 1.482 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.054 4.157 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.643 3.623 2.383 1.00 0.00 H new ATOM 0 HG SER A 50 9.245 3.833 0.876 1.00 0.00 H new ATOM 721 N LYS A 51 11.975 0.442 2.145 1.00 0.00 N ATOM 722 CA LYS A 51 13.194 -0.334 2.293 1.00 0.00 C ATOM 723 C LYS A 51 14.362 0.430 1.665 1.00 0.00 C ATOM 724 O LYS A 51 14.734 1.500 2.142 1.00 0.00 O ATOM 725 CB LYS A 51 13.004 -1.742 1.723 1.00 0.00 C ATOM 726 CG LYS A 51 12.418 -2.686 2.775 1.00 0.00 C ATOM 727 CD LYS A 51 13.527 -3.324 3.616 1.00 0.00 C ATOM 728 CE LYS A 51 14.162 -2.297 4.557 1.00 0.00 C ATOM 729 NZ LYS A 51 13.135 -1.689 5.432 1.00 0.00 N ATOM 0 H LYS A 51 11.479 0.295 1.266 1.00 0.00 H new ATOM 0 HA LYS A 51 13.433 -0.470 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.343 -1.701 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.962 -2.129 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.736 -2.136 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.834 -3.465 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.118 -4.151 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.290 -3.742 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.928 -2.778 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.658 -1.520 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.599 -1.112 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.506 -1.087 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.577 -2.440 5.887 1.00 0.00 H new ATOM 743 N LYS A 52 14.905 -0.148 0.604 1.00 0.00 N ATOM 744 CA LYS A 52 16.021 0.466 -0.093 1.00 0.00 C ATOM 745 C LYS A 52 16.065 -0.052 -1.532 1.00 0.00 C ATOM 746 O LYS A 52 16.107 0.735 -2.478 1.00 0.00 O ATOM 747 CB LYS A 52 17.322 0.244 0.680 1.00 0.00 C ATOM 748 CG LYS A 52 17.200 0.749 2.119 1.00 0.00 C ATOM 749 CD LYS A 52 16.853 -0.396 3.072 1.00 0.00 C ATOM 750 CE LYS A 52 16.696 0.113 4.507 1.00 0.00 C ATOM 751 NZ LYS A 52 17.631 -0.590 5.412 1.00 0.00 N ATOM 0 H LYS A 52 14.592 -1.035 0.210 1.00 0.00 H new ATOM 0 HA LYS A 52 15.889 1.547 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.570 -0.817 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.140 0.761 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.138 1.212 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.431 1.519 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.929 -0.875 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.635 -1.154 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.885 1.186 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.671 -0.041 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.511 -0.232 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.432 -1.611 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.609 -0.422 5.100 1.00 0.00 H new ATOM 765 N PRO A 53 16.054 -1.406 -1.656 1.00 0.00 N ATOM 766 CA PRO A 53 16.091 -2.038 -2.965 1.00 0.00 C ATOM 767 C PRO A 53 14.736 -1.927 -3.666 1.00 0.00 C ATOM 768 O PRO A 53 14.360 -0.853 -4.132 1.00 0.00 O ATOM 769 CB PRO A 53 16.505 -3.475 -2.696 1.00 0.00 C ATOM 770 CG PRO A 53 16.233 -3.717 -1.220 1.00 0.00 C ATOM 771 CD PRO A 53 16.005 -2.368 -0.559 1.00 0.00 C ATOM 0 HA PRO A 53 16.793 -1.556 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.937 -4.168 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.559 -3.628 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.359 -4.356 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.075 -4.231 -0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.044 -2.336 -0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.771 -2.158 0.187 1.00 0.00 H new ATOM 779 N TYR A 54 14.039 -3.052 -3.720 1.00 0.00 N ATOM 780 CA TYR A 54 12.734 -3.095 -4.357 1.00 0.00 C ATOM 781 C TYR A 54 11.639 -2.629 -3.396 1.00 0.00 C ATOM 782 O TYR A 54 10.859 -1.736 -3.724 1.00 0.00 O ATOM 783 CB TYR A 54 12.490 -4.562 -4.718 1.00 0.00 C ATOM 784 CG TYR A 54 13.016 -5.554 -3.679 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.366 -5.836 -3.616 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.141 -6.168 -2.805 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.862 -6.769 -2.639 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.638 -7.103 -1.829 1.00 0.00 C ATOM 789 CZ TYR A 54 13.973 -7.357 -1.794 1.00 0.00 C ATOM 790 OH TYR A 54 14.442 -8.240 -0.871 1.00 0.00 O ATOM 0 H TYR A 54 14.354 -3.942 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 54 12.710 -2.440 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.419 -4.721 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.962 -4.773 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.050 -5.356 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.085 -5.947 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.916 -6.997 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.965 -7.592 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 54 13.695 -8.581 -0.335 1.00 0.00 H new ATOM 800 N GLU A 55 11.614 -3.255 -2.228 1.00 0.00 N ATOM 801 CA GLU A 55 10.628 -2.916 -1.217 1.00 0.00 C ATOM 802 C GLU A 55 10.350 -1.412 -1.231 1.00 0.00 C ATOM 803 O GLU A 55 10.779 -0.689 -0.332 1.00 0.00 O ATOM 804 CB GLU A 55 11.082 -3.378 0.168 1.00 0.00 C ATOM 805 CG GLU A 55 10.629 -4.813 0.445 1.00 0.00 C ATOM 806 CD GLU A 55 10.853 -5.185 1.912 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.904 -5.744 2.255 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.885 -4.874 2.706 1.00 0.00 O ATOM 0 H GLU A 55 12.262 -3.996 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 55 9.701 -3.439 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.168 -3.316 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.675 -2.712 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.573 -4.919 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.178 -5.502 -0.197 1.00 0.00 H new ATOM 816 N GLU A 56 9.635 -0.983 -2.260 1.00 0.00 N ATOM 817 CA GLU A 56 9.296 0.422 -2.404 1.00 0.00 C ATOM 818 C GLU A 56 8.005 0.736 -1.643 1.00 0.00 C ATOM 819 O GLU A 56 6.912 0.625 -2.195 1.00 0.00 O ATOM 820 CB GLU A 56 9.170 0.809 -3.878 1.00 0.00 C ATOM 821 CG GLU A 56 10.085 1.988 -4.216 1.00 0.00 C ATOM 822 CD GLU A 56 9.398 2.957 -5.181 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.187 3.195 -5.062 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.168 3.471 -6.078 1.00 0.00 O ATOM 0 H GLU A 56 9.281 -1.585 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 56 10.103 1.016 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.425 -0.045 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.136 1.071 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.359 2.514 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.009 1.620 -4.662 1.00 0.00 H new ATOM 832 N VAL A 57 8.176 1.121 -0.387 1.00 0.00 N ATOM 833 CA VAL A 57 7.039 1.452 0.455 1.00 0.00 C ATOM 834 C VAL A 57 6.856 2.971 0.484 1.00 0.00 C ATOM 835 O VAL A 57 7.794 3.718 0.210 1.00 0.00 O ATOM 836 CB VAL A 57 7.227 0.847 1.848 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.887 0.728 2.579 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.929 -0.510 1.767 1.00 0.00 C ATOM 0 H VAL A 57 9.084 1.211 0.068 1.00 0.00 H new ATOM 0 HA VAL A 57 6.124 1.022 0.048 1.00 0.00 H new ATOM 0 HB VAL A 57 7.864 1.520 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.048 0.295 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.441 1.717 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.216 0.087 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.050 -0.918 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.329 -1.195 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.909 -0.386 1.305 1.00 0.00 H new ATOM 848 N THR A 58 5.641 3.382 0.819 1.00 0.00 N ATOM 849 CA THR A 58 5.323 4.798 0.886 1.00 0.00 C ATOM 850 C THR A 58 4.686 5.137 2.235 1.00 0.00 C ATOM 851 O THR A 58 5.029 4.542 3.255 1.00 0.00 O ATOM 852 CB THR A 58 4.431 5.140 -0.310 1.00 0.00 C ATOM 853 OG1 THR A 58 4.902 4.285 -1.349 1.00 0.00 O ATOM 854 CG2 THR A 58 4.684 6.551 -0.844 1.00 0.00 C ATOM 0 H THR A 58 4.866 2.759 1.047 1.00 0.00 H new ATOM 0 HA THR A 58 6.223 5.409 0.823 1.00 0.00 H new ATOM 0 HB THR A 58 3.384 5.044 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.624 3.363 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.026 6.743 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.484 7.279 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.722 6.638 -1.164 1.00 0.00 H new ATOM 862 N CYS A 59 3.770 6.093 2.197 1.00 0.00 N ATOM 863 CA CYS A 59 3.081 6.520 3.404 1.00 0.00 C ATOM 864 C CYS A 59 1.707 7.061 3.009 1.00 0.00 C ATOM 865 O CYS A 59 1.416 7.219 1.823 1.00 0.00 O ATOM 866 CB CYS A 59 3.899 7.552 4.185 1.00 0.00 C ATOM 867 SG CYS A 59 5.133 6.707 5.238 1.00 0.00 S ATOM 0 H CYS A 59 3.488 6.585 1.349 1.00 0.00 H new ATOM 0 HA CYS A 59 2.954 5.670 4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.401 8.228 3.494 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.238 8.160 4.802 1.00 0.00 H new ATOM 0 HG CYS A 59 6.290 7.282 5.097 1.00 0.00 H new ATOM 873 N CYS A 60 0.897 7.330 4.022 1.00 0.00 N ATOM 874 CA CYS A 60 -0.440 7.850 3.794 1.00 0.00 C ATOM 875 C CYS A 60 -1.115 8.051 5.152 1.00 0.00 C ATOM 876 O CYS A 60 -1.348 7.089 5.884 1.00 0.00 O ATOM 877 CB CYS A 60 -1.256 6.930 2.884 1.00 0.00 C ATOM 878 SG CYS A 60 -2.928 6.681 3.583 1.00 0.00 S ATOM 0 H CYS A 60 1.141 7.197 5.003 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.377 8.806 3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.331 7.364 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.751 5.970 2.777 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.842 6.533 4.872 1.00 0.00 H new ATOM 884 N SER A 61 -1.408 9.308 5.450 1.00 0.00 N ATOM 885 CA SER A 61 -2.051 9.648 6.709 1.00 0.00 C ATOM 886 C SER A 61 -3.484 10.122 6.453 1.00 0.00 C ATOM 887 O SER A 61 -4.380 9.858 7.253 1.00 0.00 O ATOM 888 CB SER A 61 -1.262 10.725 7.456 1.00 0.00 C ATOM 889 OG SER A 61 -1.518 12.029 6.942 1.00 0.00 O ATOM 0 H SER A 61 -1.212 10.103 4.842 1.00 0.00 H new ATOM 0 HA SER A 61 -2.076 8.755 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.521 10.695 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.196 10.510 7.383 1.00 0.00 H new ATOM 0 HG SER A 61 -0.997 12.688 7.447 1.00 0.00 H new ATOM 895 N THR A 62 -3.653 10.815 5.337 1.00 0.00 N ATOM 896 CA THR A 62 -4.961 11.328 4.966 1.00 0.00 C ATOM 897 C THR A 62 -6.020 10.229 5.088 1.00 0.00 C ATOM 898 O THR A 62 -5.685 9.051 5.200 1.00 0.00 O ATOM 899 CB THR A 62 -4.857 11.917 3.557 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.492 11.718 3.199 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.027 13.437 3.546 1.00 0.00 C ATOM 0 H THR A 62 -2.906 11.033 4.677 1.00 0.00 H new ATOM 0 HA THR A 62 -5.280 12.121 5.643 1.00 0.00 H new ATOM 0 HB THR A 62 -5.612 11.462 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.299 10.758 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.945 13.805 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.007 13.696 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.251 13.894 4.160 1.00 0.00 H new ATOM 909 N ASP A 63 -7.274 10.654 5.060 1.00 0.00 N ATOM 910 CA ASP A 63 -8.383 9.721 5.166 1.00 0.00 C ATOM 911 C ASP A 63 -8.486 8.908 3.874 1.00 0.00 C ATOM 912 O ASP A 63 -8.967 9.408 2.859 1.00 0.00 O ATOM 913 CB ASP A 63 -9.708 10.461 5.366 1.00 0.00 C ATOM 914 CG ASP A 63 -10.130 10.648 6.823 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.593 9.703 7.482 1.00 0.00 O ATOM 916 OD2 ASP A 63 -9.967 11.840 7.290 1.00 0.00 O ATOM 0 H ASP A 63 -7.547 11.632 4.965 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.198 9.074 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.634 11.442 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.494 9.916 4.843 1.00 0.00 H new ATOM 922 N LYS A 64 -8.024 7.669 3.955 1.00 0.00 N ATOM 923 CA LYS A 64 -8.057 6.782 2.804 1.00 0.00 C ATOM 924 C LYS A 64 -7.131 7.330 1.717 1.00 0.00 C ATOM 925 O LYS A 64 -7.539 7.475 0.565 1.00 0.00 O ATOM 926 CB LYS A 64 -9.498 6.566 2.335 1.00 0.00 C ATOM 927 CG LYS A 64 -10.350 5.953 3.446 1.00 0.00 C ATOM 928 CD LYS A 64 -11.827 5.910 3.044 1.00 0.00 C ATOM 929 CE LYS A 64 -12.624 5.003 3.983 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.110 3.806 3.260 1.00 0.00 N ATOM 0 H LYS A 64 -7.625 7.258 4.799 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.683 5.794 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.929 7.517 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.506 5.912 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.999 4.944 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.235 6.535 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.243 6.917 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.918 5.549 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.998 4.699 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.469 5.552 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.342 3.058 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.960 4.052 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.370 3.467 2.613 1.00 0.00 H new ATOM 944 N CYS A 65 -5.902 7.618 2.120 1.00 0.00 N ATOM 945 CA CYS A 65 -4.915 8.146 1.195 1.00 0.00 C ATOM 946 C CYS A 65 -4.004 6.997 0.757 1.00 0.00 C ATOM 947 O CYS A 65 -2.844 7.218 0.412 1.00 0.00 O ATOM 948 CB CYS A 65 -4.122 9.300 1.812 1.00 0.00 C ATOM 949 SG CYS A 65 -3.781 8.954 3.576 1.00 0.00 S ATOM 0 H CYS A 65 -5.568 7.495 3.076 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.417 8.563 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.185 9.437 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.684 10.229 1.717 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.957 7.688 3.812 1.00 0.00 H new ATOM 955 N ASN A 66 -4.565 5.797 0.784 1.00 0.00 N ATOM 956 CA ASN A 66 -3.817 4.614 0.395 1.00 0.00 C ATOM 957 C ASN A 66 -4.348 4.098 -0.945 1.00 0.00 C ATOM 958 O ASN A 66 -3.984 3.007 -1.382 1.00 0.00 O ATOM 959 CB ASN A 66 -3.974 3.497 1.428 1.00 0.00 C ATOM 960 CG ASN A 66 -2.624 3.129 2.048 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.404 2.018 2.502 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.738 4.121 2.041 1.00 0.00 N ATOM 0 H ASN A 66 -5.528 5.619 1.069 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.765 4.890 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.663 3.815 2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.412 2.618 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.807 3.976 2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.989 5.027 1.644 1.00 0.00 H new ATOM 969 N PRO A 67 -5.224 4.927 -1.573 1.00 0.00 N ATOM 970 CA PRO A 67 -5.809 4.566 -2.853 1.00 0.00 C ATOM 971 C PRO A 67 -4.793 4.723 -3.985 1.00 0.00 C ATOM 972 O PRO A 67 -4.923 5.614 -4.823 1.00 0.00 O ATOM 973 CB PRO A 67 -7.015 5.478 -3.006 1.00 0.00 C ATOM 974 CG PRO A 67 -6.794 6.628 -2.035 1.00 0.00 C ATOM 975 CD PRO A 67 -5.676 6.226 -1.085 1.00 0.00 C ATOM 0 HA PRO A 67 -6.110 3.519 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.102 5.842 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.939 4.946 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.529 7.537 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.708 6.841 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.867 6.956 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.034 6.160 -0.058 1.00 0.00 H new ATOM 983 N HIS A 68 -3.801 3.844 -3.974 1.00 0.00 N ATOM 984 CA HIS A 68 -2.763 3.874 -4.990 1.00 0.00 C ATOM 985 C HIS A 68 -3.380 4.227 -6.345 1.00 0.00 C ATOM 986 O HIS A 68 -4.579 4.041 -6.552 1.00 0.00 O ATOM 987 CB HIS A 68 -1.990 2.555 -5.015 1.00 0.00 C ATOM 988 CG HIS A 68 -2.867 1.331 -5.131 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.715 0.392 -6.137 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.904 0.902 -4.356 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.627 -0.553 -5.965 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.364 -0.236 -4.863 1.00 0.00 N ATOM 0 H HIS A 68 -3.695 3.107 -3.277 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.036 4.649 -4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.293 2.570 -5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.394 2.478 -4.106 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.020 0.423 -6.883 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.286 1.403 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.763 -1.424 -6.589 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.511 4.742 -7.255 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.958 5.122 -8.585 1.00 0.00 C ATOM 1003 C PRO A 69 -3.194 3.887 -9.457 1.00 0.00 C ATOM 1004 O PRO A 69 -2.245 3.266 -9.931 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.864 6.028 -9.124 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.637 5.752 -8.272 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.085 4.976 -7.045 1.00 0.00 C ATOM 0 HA PRO A 69 -3.917 5.640 -8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.665 5.818 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.157 7.076 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.099 5.180 -8.837 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.158 6.686 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.540 4.037 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.907 5.543 -6.131 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.467 3.568 -9.643 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.840 2.419 -10.449 1.00 0.00 C ATOM 1017 C LYS A 70 -6.310 2.541 -10.856 1.00 0.00 C ATOM 1018 O LYS A 70 -6.682 2.177 -11.970 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.513 1.119 -9.714 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.680 1.393 -8.458 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.448 2.281 -7.477 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.929 1.900 -7.436 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.716 2.954 -6.755 1.00 0.00 N ATOM 0 H LYS A 70 -5.253 4.086 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.255 2.394 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.437 0.611 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.967 0.449 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.421 0.450 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.744 1.877 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.017 2.186 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.346 3.326 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.302 1.757 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.052 0.951 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.578 3.152 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.977 2.631 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.146 3.821 -6.683 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.106 3.056 -9.931 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.527 3.232 -10.177 1.00 0.00 C ATOM 1039 C GLN A 71 -8.747 4.170 -11.366 1.00 0.00 C ATOM 1040 O GLN A 71 -9.351 5.231 -11.219 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.241 3.751 -8.928 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.607 2.602 -7.986 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.147 3.133 -6.658 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.261 3.619 -6.560 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.296 3.012 -5.641 1.00 0.00 N ATOM 0 H GLN A 71 -6.793 3.358 -9.008 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.957 2.260 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.599 4.462 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.143 4.289 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.355 1.964 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.729 1.982 -7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.377 2.595 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.563 3.336 -4.711 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.246 3.744 -12.515 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.380 4.533 -13.728 1.00 0.00 C ATOM 1056 C ARG A 72 -9.539 4.009 -14.578 1.00 0.00 C ATOM 1057 O ARG A 72 -10.435 4.765 -14.949 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.092 4.497 -14.554 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.402 4.468 -16.052 1.00 0.00 C ATOM 1060 CD ARG A 72 -8.171 5.720 -16.478 1.00 0.00 C ATOM 1061 NE ARG A 72 -7.236 6.720 -17.042 1.00 0.00 N ATOM 1062 CZ ARG A 72 -6.596 7.656 -16.309 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -6.786 7.728 -14.975 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.783 8.498 -16.917 1.00 0.00 N ATOM 0 H ARG A 72 -7.746 2.863 -12.632 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.580 5.563 -13.433 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.482 5.370 -14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.506 3.618 -14.283 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.473 4.398 -16.618 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.987 3.579 -16.289 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.927 5.458 -17.218 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.696 6.143 -15.622 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.065 6.701 -18.047 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.417 7.072 -14.514 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.299 8.438 -14.428 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.646 8.436 -17.926 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.292 9.211 -16.378 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.481 2.682 -14.871 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.515 2.047 -15.670 1.00 0.00 C ATOM 1080 C PRO A 73 -11.793 1.847 -14.856 1.00 0.00 C ATOM 1081 O PRO A 73 -11.969 2.467 -13.807 1.00 0.00 O ATOM 1082 CB PRO A 73 -9.900 0.739 -16.140 1.00 0.00 C ATOM 1083 CG PRO A 73 -8.725 0.473 -15.213 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.434 1.754 -14.450 1.00 0.00 C ATOM 0 HA PRO A 73 -10.823 2.656 -16.520 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.626 -0.073 -16.093 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.571 0.813 -17.176 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.959 -0.338 -14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.851 0.162 -15.785 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.461 1.588 -13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.443 2.140 -14.688 1.00 0.00 H new ATOM 1092 N GLY A 74 -12.653 0.980 -15.366 1.00 0.00 N ATOM 1093 CA GLY A 74 -13.912 0.691 -14.699 1.00 0.00 C ATOM 1094 C GLY A 74 -14.002 -0.787 -14.315 1.00 0.00 C ATOM 1095 O GLY A 74 -15.045 -1.251 -13.855 1.00 0.00 O ATOM 0 H GLY A 74 -12.504 0.467 -16.235 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.005 1.309 -13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.743 0.951 -15.354 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.091 -10.412 -10.868 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.446 -9.980 -9.527 1.00 0.00 C ATOM 1102 C HIS B 1 -6.188 -9.526 -8.785 1.00 0.00 C ATOM 1103 O HIS B 1 -5.481 -10.343 -8.196 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.207 -11.080 -8.785 1.00 0.00 C ATOM 1105 CG HIS B 1 -7.761 -12.479 -9.135 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -8.183 -13.137 -10.278 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -6.927 -13.338 -8.483 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -7.622 -14.336 -10.301 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -6.844 -14.460 -9.187 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.887 -10.935 -11.286 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.876 -9.581 -11.455 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.255 -11.030 -10.824 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.121 -9.126 -9.583 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.088 -10.930 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -9.270 -10.983 -9.004 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -6.419 -13.139 -7.551 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -7.757 -15.085 -11.067 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -6.290 -15.279 -8.937 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.945 -8.225 -8.837 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.785 -7.652 -8.177 1.00 0.00 C ATOM 1120 C ARG B 2 -4.943 -6.136 -8.044 1.00 0.00 C ATOM 1121 O ARG B 2 -5.824 -5.543 -8.666 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.503 -7.957 -8.955 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.704 -9.071 -8.278 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.444 -8.517 -7.610 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.011 -9.417 -6.519 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.762 -9.711 -5.437 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -2.994 -9.177 -5.292 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.275 -10.529 -4.522 1.00 0.00 N ATOM 0 H ARG B 2 -6.533 -7.550 -9.327 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.712 -8.101 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.753 -8.252 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.892 -7.057 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.326 -9.568 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.427 -9.824 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.647 -8.416 -8.347 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.641 -7.521 -7.214 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.087 -9.842 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.363 -8.546 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.555 -9.404 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.344 -10.929 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.830 -10.761 -3.698 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.077 -5.551 -7.230 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.112 -4.115 -7.007 1.00 0.00 C ATOM 1144 C TYR B 3 -2.818 -3.456 -7.490 1.00 0.00 C ATOM 1145 O TYR B 3 -2.208 -2.671 -6.764 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.232 -3.927 -5.493 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.497 -5.222 -4.724 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.447 -6.053 -4.388 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.785 -5.559 -4.365 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.697 -7.272 -3.664 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.036 -6.778 -3.640 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.979 -7.574 -3.326 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.215 -8.726 -2.641 1.00 0.00 O ATOM 0 H TYR B 3 -3.347 -6.045 -6.717 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.940 -3.661 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.313 -3.476 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.038 -3.223 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.438 -5.789 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.606 -4.908 -4.628 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.885 -7.931 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.040 -7.053 -3.353 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.724 -8.525 -1.828 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.437 -3.798 -8.711 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.227 -3.249 -9.300 1.00 0.00 C ATOM 1165 C TYR B 4 -1.281 -1.721 -9.337 1.00 0.00 C ATOM 1166 O TYR B 4 -2.122 -1.109 -8.680 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.175 -3.781 -10.733 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.215 -4.956 -10.927 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.649 -6.247 -10.705 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.088 -4.725 -11.322 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.256 -7.352 -10.887 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.992 -5.831 -11.504 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.532 -7.090 -11.277 1.00 0.00 C ATOM 1174 OH TYR B 4 2.385 -8.134 -11.449 1.00 0.00 O ATOM 0 H TYR B 4 -2.945 -4.449 -9.310 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.352 -3.536 -8.717 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.177 -4.091 -11.031 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.880 -2.971 -11.400 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.667 -6.429 -10.395 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.429 -3.715 -11.494 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.072 -8.367 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.013 -5.664 -11.814 1.00 0.00 H new ATOM 0 HH TYR B 4 3.133 -8.052 -10.822 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.373 -1.148 -10.115 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.306 0.298 -10.247 1.00 0.00 C ATOM 1186 C GLU B 5 -0.832 0.730 -11.618 1.00 0.00 C ATOM 1187 O GLU B 5 -0.338 1.694 -12.200 1.00 0.00 O ATOM 1188 CB GLU B 5 1.120 0.803 -10.022 1.00 0.00 C ATOM 1189 CG GLU B 5 1.999 0.523 -11.242 1.00 0.00 C ATOM 1190 CD GLU B 5 3.032 1.636 -11.441 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.683 2.728 -11.912 1.00 0.00 O ATOM 1192 OE2 GLU B 5 4.235 1.333 -11.085 1.00 0.00 O ATOM 0 H GLU B 5 0.322 -1.659 -10.660 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.939 0.744 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.103 1.874 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.547 0.319 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.508 -0.432 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.376 0.437 -12.132 1.00 0.00 H new ATOM 1200 N SER B 6 -1.828 -0.003 -12.091 1.00 0.00 N ATOM 1201 CA SER B 6 -2.426 0.293 -13.383 1.00 0.00 C ATOM 1202 C SER B 6 -3.929 0.006 -13.341 1.00 0.00 C ATOM 1203 O SER B 6 -4.637 0.253 -14.315 1.00 0.00 O ATOM 1204 CB SER B 6 -1.763 -0.521 -14.496 1.00 0.00 C ATOM 1205 OG SER B 6 -2.520 -0.491 -15.702 1.00 0.00 O ATOM 0 H SER B 6 -2.236 -0.801 -11.604 1.00 0.00 H new ATOM 0 HA SER B 6 -2.269 1.350 -13.599 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.764 -0.129 -14.685 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.644 -1.554 -14.168 1.00 0.00 H new ATOM 0 HG SER B 6 -3.310 0.076 -15.578 1.00 0.00 H new ATOM 1211 N SER B 7 -4.369 -0.509 -12.203 1.00 0.00 N ATOM 1212 CA SER B 7 -5.774 -0.830 -12.022 1.00 0.00 C ATOM 1213 C SER B 7 -6.036 -1.234 -10.570 1.00 0.00 C ATOM 1214 O SER B 7 -5.100 -1.509 -9.819 1.00 0.00 O ATOM 1215 CB SER B 7 -6.210 -1.949 -12.970 1.00 0.00 C ATOM 1216 OG SER B 7 -7.509 -2.442 -12.653 1.00 0.00 O ATOM 0 H SER B 7 -3.778 -0.712 -11.397 1.00 0.00 H new ATOM 0 HA SER B 7 -6.360 0.058 -12.257 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.203 -1.579 -13.995 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.490 -2.766 -12.921 1.00 0.00 H new ATOM 0 HG SER B 7 -8.161 -1.713 -12.719 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.312 -1.258 -10.216 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.708 -1.622 -8.867 1.00 0.00 C ATOM 1224 C LEU B 8 -8.735 -2.755 -8.929 1.00 0.00 C ATOM 1225 O LEU B 8 -8.893 -3.509 -7.971 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.197 -0.392 -8.099 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.192 -0.507 -6.575 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.380 -1.331 -6.080 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.858 -1.064 -6.072 1.00 0.00 C ATOM 0 H LEU B 8 -8.086 -1.031 -10.841 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.850 -1.997 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.576 0.458 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.213 -0.166 -8.423 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.302 0.494 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.350 -1.396 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.309 -0.852 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.329 -2.334 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.881 -1.136 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.693 -2.054 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.049 -0.400 -6.375 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.407 -2.840 -10.068 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.413 -3.868 -10.269 1.00 0.00 C ATOM 1243 C GLU B 9 -9.753 -5.186 -10.677 1.00 0.00 C ATOM 1244 O GLU B 9 -8.759 -5.188 -11.401 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.446 -3.427 -11.309 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.241 -2.217 -10.813 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.107 -2.587 -9.608 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -13.802 -3.613 -9.636 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.041 -1.764 -8.616 1.00 0.00 O ATOM 0 H GLU B 9 -9.274 -2.213 -10.861 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.937 -4.025 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -10.943 -3.178 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.127 -4.251 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.556 -1.414 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.872 -1.838 -11.617 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.346 -6.304 -10.182 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.826 -7.626 -10.488 1.00 0.00 C ATOM 1259 C PRO B 10 -10.173 -8.035 -11.920 1.00 0.00 C ATOM 1260 O PRO B 10 -10.295 -9.222 -12.220 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.442 -8.543 -9.443 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.639 -7.792 -8.884 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.525 -6.340 -9.321 1.00 0.00 C ATOM 0 HA PRO B 10 -8.738 -7.669 -10.445 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.748 -9.491 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.725 -8.776 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.568 -8.229 -9.250 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.660 -7.863 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.417 -6.017 -9.857 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.410 -5.676 -8.464 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.322 -7.028 -12.769 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.653 -7.267 -14.163 1.00 0.00 C ATOM 1273 C TRP B 11 -9.622 -6.537 -15.027 1.00 0.00 C ATOM 1274 O TRP B 11 -9.205 -7.045 -16.065 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.093 -6.845 -14.465 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.752 -7.644 -15.591 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.962 -8.966 -15.651 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.283 -7.115 -16.825 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.587 -9.325 -16.828 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.788 -8.164 -17.564 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -13.335 -5.792 -17.300 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.381 -8.001 -18.822 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -13.930 -5.645 -18.558 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -14.443 -6.692 -19.315 1.00 0.00 C ATOM 0 H TRP B 11 -10.219 -6.045 -12.518 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.607 -8.332 -14.393 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.690 -6.953 -13.559 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.103 -5.788 -14.730 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.678 -9.663 -14.876 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.853 -10.270 -17.106 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -12.946 -4.956 -16.738 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.769 -8.839 -19.381 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -13.995 -4.649 -18.969 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -14.888 -6.496 -20.280 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.242 -5.354 -14.564 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.267 -4.549 -15.281 1.00 0.00 C ATOM 1297 C TYR B 12 -6.855 -4.798 -14.752 1.00 0.00 C ATOM 1298 O TYR B 12 -5.889 -4.776 -15.514 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.650 -3.091 -15.015 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.804 -2.583 -15.881 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.106 -2.727 -15.448 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -9.543 -1.980 -17.095 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.193 -2.248 -16.264 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -10.630 -1.502 -17.910 1.00 0.00 C ATOM 1305 CZ TYR B 12 -11.900 -1.659 -17.454 1.00 0.00 C ATOM 1306 OH TYR B 12 -12.927 -1.207 -18.224 1.00 0.00 O ATOM 0 H TYR B 12 -9.591 -4.934 -13.702 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.270 -4.796 -16.343 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.922 -2.983 -13.965 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.777 -2.460 -15.184 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.310 -3.198 -14.498 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -8.524 -1.867 -17.434 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.217 -2.354 -15.938 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -10.440 -1.029 -18.862 1.00 0.00 H new ATOM 0 HH TYR B 12 -12.570 -0.809 -19.045 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.774 -5.034 -13.415 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.495 -5.287 -12.775 1.00 0.00 C ATOM 1318 C PRO B 13 -4.994 -6.698 -13.089 1.00 0.00 C ATOM 1319 O PRO B 13 -3.809 -6.895 -13.358 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.745 -5.063 -11.292 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.253 -5.148 -11.107 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.896 -5.067 -12.481 1.00 0.00 C ATOM 0 HA PRO B 13 -4.707 -4.627 -13.137 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.235 -5.816 -10.692 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.366 -4.092 -10.974 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.525 -6.081 -10.613 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.606 -4.336 -10.472 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.541 -5.926 -12.667 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.516 -4.176 -12.576 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.919 -7.645 -13.046 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.587 -9.032 -13.322 1.00 0.00 C ATOM 1332 C ASP B 14 -6.874 -9.851 -13.416 1.00 0.00 C ATOM 1333 O ASP B 14 -7.172 -10.430 -14.461 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.729 -9.625 -12.204 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.770 -11.151 -12.099 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.028 -11.852 -13.088 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.517 -11.623 -10.926 1.00 0.00 O ATOM 0 H ASP B 14 -6.900 -7.478 -12.824 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.032 -9.066 -14.259 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.695 -9.314 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.054 -9.201 -11.254 1.00 0.00 H new TER 1343 ASP B 14