USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 1 ALA N :NH3+ -162:sc= 0.889 (180deg=0.495) USER MOD Set 1.2: A 56 HIS : no HE2:sc= 0.849 K(o=1.7,f=-17!) USER MOD Set 2.1: A 20 CYS SG : rot 131:sc= 0.813 USER MOD Set 2.2: A 24 CYS SG : rot -58:sc= 0.719 USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0.148 USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -57:sc= 0.295 USER MOD Single : A 8 CYS SG : rot -12:sc= -0.147 USER MOD Single : A 11 THR OG1 : rot 50:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 2.1 (180deg=1.12) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : A 31 GLN : amide:sc= 0.967 K(o=0.97,f=-1.8!) USER MOD Single : A 32 TYR OH : rot -22:sc= 1.24 USER MOD Single : A 33 TYR OH : rot -165:sc= 1.27 USER MOD Single : A 39 CYS SG : rot 180:sc= 0.232 USER MOD Single : A 42 CYS SG : rot 150:sc= -0.0979 USER MOD Single : A 45 CYS SG : rot -53:sc= 0.054 USER MOD Single : A 49 CYS SG : rot 150:sc= -0.165 USER MOD Single : A 52 SER OG : rot -114:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 70:sc= 0.918 USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 2.52 (180deg=2.04) USER MOD Single : A 66 SER OG : rot -108:sc= 0.129 USER MOD Single : A 67 TYR OH : rot -150:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 2.13 (180deg=1.48) USER MOD Single : A 71 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.72) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 2.11! (180deg=1.18) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.198 2.531 7.537 1.00 0.00 N ATOM 2 CA ALA A 1 -6.278 2.969 6.482 1.00 0.00 C ATOM 3 C ALA A 1 -5.338 1.811 6.194 1.00 0.00 C ATOM 4 O ALA A 1 -5.012 1.090 7.139 1.00 0.00 O ATOM 5 CB ALA A 1 -5.492 4.185 6.959 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.030 3.155 7.553 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.501 1.554 7.350 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.716 2.573 8.458 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.821 3.251 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.809 4.508 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.182 4.995 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.921 3.923 7.850 1.00 0.00 H new ATOM 13 N TYR A 2 -4.933 1.606 4.939 1.00 0.00 N ATOM 14 CA TYR A 2 -4.074 0.491 4.563 1.00 0.00 C ATOM 15 C TYR A 2 -2.700 0.993 4.132 1.00 0.00 C ATOM 16 O TYR A 2 -2.549 2.136 3.706 1.00 0.00 O ATOM 17 CB TYR A 2 -4.698 -0.310 3.412 1.00 0.00 C ATOM 18 CG TYR A 2 -6.058 -0.918 3.689 1.00 0.00 C ATOM 19 CD1 TYR A 2 -7.217 -0.127 3.571 1.00 0.00 C ATOM 20 CD2 TYR A 2 -6.180 -2.293 3.971 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.483 -0.695 3.785 1.00 0.00 C ATOM 22 CE2 TYR A 2 -7.449 -2.861 4.170 1.00 0.00 C ATOM 23 CZ TYR A 2 -8.599 -2.056 4.102 1.00 0.00 C ATOM 24 OH TYR A 2 -9.825 -2.596 4.345 1.00 0.00 O ATOM 0 H TYR A 2 -5.193 2.209 4.159 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.967 -0.154 5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.784 0.344 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.012 -1.112 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.132 0.919 3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.297 -2.911 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.369 -0.083 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.541 -3.917 4.375 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.728 -3.550 4.548 1.00 0.00 H new ATOM 34 N VAL A 3 -1.712 0.107 4.241 1.00 0.00 N ATOM 35 CA VAL A 3 -0.316 0.339 3.895 1.00 0.00 C ATOM 36 C VAL A 3 0.191 -0.827 3.043 1.00 0.00 C ATOM 37 O VAL A 3 -0.163 -1.983 3.290 1.00 0.00 O ATOM 38 CB VAL A 3 0.476 0.503 5.205 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.991 0.289 5.072 1.00 0.00 C ATOM 40 CG2 VAL A 3 0.214 1.917 5.745 1.00 0.00 C ATOM 0 H VAL A 3 -1.874 -0.838 4.590 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.191 1.246 3.303 1.00 0.00 H new ATOM 0 HB VAL A 3 0.128 -0.277 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.464 0.425 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.186 -0.721 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.400 1.011 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.765 2.059 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.543 2.653 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.852 2.043 5.932 1.00 0.00 H new ATOM 50 N ILE A 4 1.051 -0.509 2.065 1.00 0.00 N ATOM 51 CA ILE A 4 1.800 -1.479 1.274 1.00 0.00 C ATOM 52 C ILE A 4 3.119 -1.772 1.982 1.00 0.00 C ATOM 53 O ILE A 4 3.792 -0.848 2.445 1.00 0.00 O ATOM 54 CB ILE A 4 2.041 -0.941 -0.148 1.00 0.00 C ATOM 55 CG1 ILE A 4 0.697 -0.941 -0.883 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.022 -1.859 -0.892 1.00 0.00 C ATOM 57 CD1 ILE A 4 0.694 -0.233 -2.237 1.00 0.00 C ATOM 0 H ILE A 4 1.246 0.457 1.800 1.00 0.00 H new ATOM 0 HA ILE A 4 1.229 -2.403 1.181 1.00 0.00 H new ATOM 0 HB ILE A 4 2.460 0.064 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.382 -1.974 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.049 -0.469 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.189 -1.474 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.969 -1.892 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.605 -2.864 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.303 -0.289 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.973 0.812 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.410 -0.716 -2.902 1.00 0.00 H new ATOM 69 N THR A 5 3.476 -3.058 2.052 1.00 0.00 N ATOM 70 CA THR A 5 4.674 -3.538 2.718 1.00 0.00 C ATOM 71 C THR A 5 5.498 -4.436 1.790 1.00 0.00 C ATOM 72 O THR A 5 5.043 -4.839 0.720 1.00 0.00 O ATOM 73 CB THR A 5 4.265 -4.285 3.997 1.00 0.00 C ATOM 74 OG1 THR A 5 3.369 -5.347 3.710 1.00 0.00 O ATOM 75 CG2 THR A 5 3.628 -3.342 5.021 1.00 0.00 C ATOM 0 H THR A 5 2.922 -3.806 1.635 1.00 0.00 H new ATOM 0 HA THR A 5 5.306 -2.690 2.983 1.00 0.00 H new ATOM 0 HB THR A 5 5.178 -4.698 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.579 -4.993 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.352 -3.906 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.341 -2.563 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.737 -2.885 4.590 1.00 0.00 H new ATOM 83 N GLU A 6 6.706 -4.757 2.264 1.00 0.00 N ATOM 84 CA GLU A 6 7.689 -5.699 1.743 1.00 0.00 C ATOM 85 C GLU A 6 7.194 -6.688 0.669 1.00 0.00 C ATOM 86 O GLU A 6 7.774 -6.687 -0.418 1.00 0.00 O ATOM 87 CB GLU A 6 8.387 -6.334 2.955 1.00 0.00 C ATOM 88 CG GLU A 6 9.770 -6.905 2.675 1.00 0.00 C ATOM 89 CD GLU A 6 10.753 -6.516 3.775 1.00 0.00 C ATOM 90 OE1 GLU A 6 11.176 -5.340 3.746 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.992 -7.349 4.676 1.00 0.00 O ATOM 0 H GLU A 6 7.051 -4.312 3.114 1.00 0.00 H new ATOM 0 HA GLU A 6 8.414 -5.151 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.473 -5.583 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.753 -7.131 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.711 -7.991 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.131 -6.540 1.714 1.00 0.00 H new ATOM 98 N PRO A 7 6.157 -7.523 0.883 1.00 0.00 N ATOM 99 CA PRO A 7 5.771 -8.526 -0.107 1.00 0.00 C ATOM 100 C PRO A 7 5.384 -7.943 -1.474 1.00 0.00 C ATOM 101 O PRO A 7 5.429 -8.661 -2.469 1.00 0.00 O ATOM 102 CB PRO A 7 4.624 -9.327 0.519 1.00 0.00 C ATOM 103 CG PRO A 7 4.819 -9.101 2.018 1.00 0.00 C ATOM 104 CD PRO A 7 5.297 -7.652 2.050 1.00 0.00 C ATOM 0 HA PRO A 7 6.629 -9.159 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.651 -8.969 0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.683 -10.384 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.894 -9.240 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.554 -9.784 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.459 -6.957 2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.841 -7.434 2.969 1.00 0.00 H new ATOM 112 N CYS A 8 5.008 -6.659 -1.546 1.00 0.00 N ATOM 113 CA CYS A 8 4.736 -5.989 -2.815 1.00 0.00 C ATOM 114 C CYS A 8 5.992 -5.884 -3.694 1.00 0.00 C ATOM 115 O CYS A 8 5.871 -5.803 -4.917 1.00 0.00 O ATOM 116 CB CYS A 8 4.166 -4.620 -2.542 1.00 0.00 C ATOM 117 SG CYS A 8 4.061 -3.497 -3.961 1.00 0.00 S ATOM 0 H CYS A 8 4.886 -6.062 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 8 4.012 -6.588 -3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.165 -4.742 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.774 -4.143 -1.773 1.00 0.00 H new ATOM 0 HG CYS A 8 4.745 -3.985 -4.953 1.00 0.00 H new ATOM 122 N ILE A 9 7.189 -5.859 -3.092 1.00 0.00 N ATOM 123 CA ILE A 9 8.441 -5.562 -3.784 1.00 0.00 C ATOM 124 C ILE A 9 8.791 -6.672 -4.789 1.00 0.00 C ATOM 125 O ILE A 9 9.642 -7.519 -4.530 1.00 0.00 O ATOM 126 CB ILE A 9 9.564 -5.242 -2.805 1.00 0.00 C ATOM 127 CG1 ILE A 9 9.106 -4.024 -1.995 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.842 -4.824 -3.559 1.00 0.00 C ATOM 129 CD1 ILE A 9 10.117 -3.755 -0.918 1.00 0.00 C ATOM 0 H ILE A 9 7.312 -6.048 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 9 8.304 -4.654 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 9 9.775 -6.116 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.005 -3.154 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.126 -4.209 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.631 -4.600 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.163 -5.638 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.636 -3.938 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.804 -2.890 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.195 -4.625 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.087 -3.554 -1.372 1.00 0.00 H new ATOM 141 N GLY A 10 8.141 -6.645 -5.954 1.00 0.00 N ATOM 142 CA GLY A 10 8.348 -7.548 -7.075 1.00 0.00 C ATOM 143 C GLY A 10 8.393 -6.726 -8.359 1.00 0.00 C ATOM 144 O GLY A 10 7.665 -7.003 -9.307 1.00 0.00 O ATOM 0 H GLY A 10 7.417 -5.952 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.278 -8.102 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.543 -8.282 -7.123 1.00 0.00 H new ATOM 148 N THR A 11 9.257 -5.710 -8.352 1.00 0.00 N ATOM 149 CA THR A 11 9.473 -4.727 -9.405 1.00 0.00 C ATOM 150 C THR A 11 8.183 -4.116 -9.987 1.00 0.00 C ATOM 151 O THR A 11 7.610 -4.572 -10.976 1.00 0.00 O ATOM 152 CB THR A 11 10.534 -5.187 -10.425 1.00 0.00 C ATOM 153 OG1 THR A 11 10.868 -4.131 -11.301 1.00 0.00 O ATOM 154 CG2 THR A 11 10.163 -6.424 -11.249 1.00 0.00 C ATOM 0 H THR A 11 9.866 -5.544 -7.551 1.00 0.00 H new ATOM 0 HA THR A 11 9.922 -3.856 -8.928 1.00 0.00 H new ATOM 0 HB THR A 11 11.387 -5.481 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.071 -3.326 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.977 -6.662 -11.934 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.992 -7.268 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.256 -6.223 -11.819 1.00 0.00 H new ATOM 162 N LYS A 12 7.736 -3.034 -9.349 1.00 0.00 N ATOM 163 CA LYS A 12 6.685 -2.135 -9.795 1.00 0.00 C ATOM 164 C LYS A 12 5.271 -2.709 -9.676 1.00 0.00 C ATOM 165 O LYS A 12 4.459 -2.113 -8.973 1.00 0.00 O ATOM 166 CB LYS A 12 6.993 -1.562 -11.188 1.00 0.00 C ATOM 167 CG LYS A 12 6.228 -0.247 -11.395 1.00 0.00 C ATOM 168 CD LYS A 12 6.676 0.541 -12.634 1.00 0.00 C ATOM 169 CE LYS A 12 8.167 0.918 -12.657 1.00 0.00 C ATOM 170 NZ LYS A 12 8.659 1.406 -11.355 1.00 0.00 N ATOM 0 H LYS A 12 8.127 -2.749 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 12 6.685 -1.300 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.064 -1.389 -11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.711 -2.281 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.164 -0.466 -11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.355 0.379 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.452 -0.049 -13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.084 1.454 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.751 0.048 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.330 1.687 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.505 1.993 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.919 1.974 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.900 0.596 -10.749 1.00 0.00 H new ATOM 184 N CYS A 13 4.970 -3.815 -10.370 1.00 0.00 N ATOM 185 CA CYS A 13 3.648 -4.458 -10.438 1.00 0.00 C ATOM 186 C CYS A 13 2.561 -3.550 -11.048 1.00 0.00 C ATOM 187 O CYS A 13 2.075 -3.815 -12.145 1.00 0.00 O ATOM 188 CB CYS A 13 3.246 -5.021 -9.096 1.00 0.00 C ATOM 189 SG CYS A 13 1.476 -5.347 -8.908 1.00 0.00 S ATOM 0 H CYS A 13 5.670 -4.308 -10.924 1.00 0.00 H new ATOM 0 HA CYS A 13 3.741 -5.295 -11.130 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.792 -5.950 -8.929 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.557 -4.324 -8.318 1.00 0.00 H new ATOM 0 HG CYS A 13 1.247 -5.828 -7.722 1.00 0.00 H new ATOM 194 N ALA A 14 2.179 -2.485 -10.338 1.00 0.00 N ATOM 195 CA ALA A 14 1.243 -1.448 -10.766 1.00 0.00 C ATOM 196 C ALA A 14 -0.193 -1.940 -10.985 1.00 0.00 C ATOM 197 O ALA A 14 -0.881 -1.413 -11.853 1.00 0.00 O ATOM 198 CB ALA A 14 1.780 -0.719 -12.006 1.00 0.00 C ATOM 0 H ALA A 14 2.536 -2.316 -9.397 1.00 0.00 H new ATOM 0 HA ALA A 14 1.175 -0.746 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.071 0.050 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.738 -0.256 -11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.913 -1.433 -12.819 1.00 0.00 H new ATOM 204 N SER A 15 -0.665 -2.902 -10.181 1.00 0.00 N ATOM 205 CA SER A 15 -2.044 -3.404 -10.243 1.00 0.00 C ATOM 206 C SER A 15 -2.923 -2.922 -9.079 1.00 0.00 C ATOM 207 O SER A 15 -3.983 -3.496 -8.844 1.00 0.00 O ATOM 208 CB SER A 15 -2.039 -4.934 -10.311 1.00 0.00 C ATOM 209 OG SER A 15 -1.243 -5.371 -11.397 1.00 0.00 O ATOM 0 H SER A 15 -0.098 -3.356 -9.465 1.00 0.00 H new ATOM 0 HA SER A 15 -2.488 -2.992 -11.149 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.653 -5.346 -9.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.058 -5.304 -10.425 1.00 0.00 H new ATOM 0 HG SER A 15 -1.245 -6.350 -11.431 1.00 0.00 H new ATOM 215 N CYS A 16 -2.479 -1.904 -8.334 1.00 0.00 N ATOM 216 CA CYS A 16 -3.280 -1.194 -7.341 1.00 0.00 C ATOM 217 C CYS A 16 -3.295 0.285 -7.748 1.00 0.00 C ATOM 218 O CYS A 16 -2.921 1.152 -6.963 1.00 0.00 O ATOM 219 CB CYS A 16 -2.759 -1.418 -5.929 1.00 0.00 C ATOM 220 SG CYS A 16 -0.968 -1.335 -5.693 1.00 0.00 S ATOM 0 H CYS A 16 -1.527 -1.545 -8.410 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.300 -1.577 -7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.222 -0.678 -5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.100 -2.397 -5.593 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.685 -1.544 -4.441 1.00 0.00 H new ATOM 225 N VAL A 17 -3.708 0.594 -8.985 1.00 0.00 N ATOM 226 CA VAL A 17 -3.820 1.981 -9.447 1.00 0.00 C ATOM 227 C VAL A 17 -5.214 2.265 -10.001 1.00 0.00 C ATOM 228 O VAL A 17 -5.855 3.256 -9.657 1.00 0.00 O ATOM 229 CB VAL A 17 -2.683 2.356 -10.422 1.00 0.00 C ATOM 230 CG1 VAL A 17 -1.325 1.922 -9.862 1.00 0.00 C ATOM 231 CG2 VAL A 17 -2.825 1.801 -11.844 1.00 0.00 C ATOM 0 H VAL A 17 -3.970 -0.101 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.693 2.637 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.753 3.440 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.538 2.196 -10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.149 2.419 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.321 0.842 -9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.976 2.123 -12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.853 0.712 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.748 2.173 -12.289 1.00 0.00 H new ATOM 241 N GLU A 18 -5.711 1.353 -10.828 1.00 0.00 N ATOM 242 CA GLU A 18 -6.903 1.468 -11.645 1.00 0.00 C ATOM 243 C GLU A 18 -8.216 1.344 -10.856 1.00 0.00 C ATOM 244 O GLU A 18 -9.279 1.224 -11.462 1.00 0.00 O ATOM 245 CB GLU A 18 -6.794 0.435 -12.779 1.00 0.00 C ATOM 246 CG GLU A 18 -6.603 -0.999 -12.258 1.00 0.00 C ATOM 247 CD GLU A 18 -5.146 -1.418 -12.062 1.00 0.00 C ATOM 248 OE1 GLU A 18 -4.590 -1.066 -10.992 1.00 0.00 O ATOM 249 OE2 GLU A 18 -4.609 -2.051 -12.992 1.00 0.00 O ATOM 0 H GLU A 18 -5.254 0.449 -10.951 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.950 2.476 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.694 0.478 -13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.956 0.697 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.127 -1.098 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.075 -1.691 -12.956 1.00 0.00 H new ATOM 256 N VAL A 19 -8.157 1.363 -9.520 1.00 0.00 N ATOM 257 CA VAL A 19 -9.305 1.137 -8.651 1.00 0.00 C ATOM 258 C VAL A 19 -9.490 2.224 -7.589 1.00 0.00 C ATOM 259 O VAL A 19 -10.603 2.385 -7.092 1.00 0.00 O ATOM 260 CB VAL A 19 -9.213 -0.250 -7.985 1.00 0.00 C ATOM 261 CG1 VAL A 19 -9.391 -1.386 -8.999 1.00 0.00 C ATOM 262 CG2 VAL A 19 -7.902 -0.460 -7.213 1.00 0.00 C ATOM 0 H VAL A 19 -7.292 1.539 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.185 1.179 -9.293 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.034 -0.277 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.319 -2.345 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.369 -1.300 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.612 -1.321 -9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.898 -1.455 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.058 -0.365 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.819 0.290 -6.427 1.00 0.00 H new ATOM 272 N CYS A 20 -8.435 2.946 -7.191 1.00 0.00 N ATOM 273 CA CYS A 20 -8.548 3.818 -6.028 1.00 0.00 C ATOM 274 C CYS A 20 -9.440 5.036 -6.330 1.00 0.00 C ATOM 275 O CYS A 20 -9.174 5.770 -7.282 1.00 0.00 O ATOM 276 CB CYS A 20 -7.190 4.207 -5.508 1.00 0.00 C ATOM 277 SG CYS A 20 -7.143 5.151 -3.957 1.00 0.00 S ATOM 0 H CYS A 20 -7.522 2.942 -7.645 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.041 3.262 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.607 3.297 -5.369 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.687 4.793 -6.277 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.288 4.606 -3.143 1.00 0.00 H new ATOM 282 N PRO A 21 -10.498 5.267 -5.532 1.00 0.00 N ATOM 283 CA PRO A 21 -11.449 6.346 -5.742 1.00 0.00 C ATOM 284 C PRO A 21 -10.804 7.733 -5.702 1.00 0.00 C ATOM 285 O PRO A 21 -11.354 8.667 -6.281 1.00 0.00 O ATOM 286 CB PRO A 21 -12.521 6.216 -4.653 1.00 0.00 C ATOM 287 CG PRO A 21 -12.075 5.083 -3.726 1.00 0.00 C ATOM 288 CD PRO A 21 -10.841 4.465 -4.378 1.00 0.00 C ATOM 0 HA PRO A 21 -11.876 6.256 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.625 7.149 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.494 5.996 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.842 5.462 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.866 4.342 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.011 4.437 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.042 3.436 -4.675 1.00 0.00 H new ATOM 296 N VAL A 22 -9.686 7.884 -4.984 1.00 0.00 N ATOM 297 CA VAL A 22 -9.037 9.173 -4.770 1.00 0.00 C ATOM 298 C VAL A 22 -7.523 9.039 -4.977 1.00 0.00 C ATOM 299 O VAL A 22 -6.738 9.628 -4.240 1.00 0.00 O ATOM 300 CB VAL A 22 -9.487 9.727 -3.401 1.00 0.00 C ATOM 301 CG1 VAL A 22 -9.068 8.841 -2.216 1.00 0.00 C ATOM 302 CG2 VAL A 22 -9.062 11.184 -3.168 1.00 0.00 C ATOM 0 H VAL A 22 -9.205 7.106 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.342 9.917 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.576 9.709 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.416 9.289 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.509 7.850 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.982 8.754 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.409 11.512 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.975 11.257 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.499 11.818 -3.939 1.00 0.00 H new ATOM 312 N ASP A 23 -7.147 8.230 -5.981 1.00 0.00 N ATOM 313 CA ASP A 23 -5.809 8.060 -6.551 1.00 0.00 C ATOM 314 C ASP A 23 -4.629 8.283 -5.597 1.00 0.00 C ATOM 315 O ASP A 23 -3.584 8.804 -5.982 1.00 0.00 O ATOM 316 CB ASP A 23 -5.676 8.860 -7.858 1.00 0.00 C ATOM 317 CG ASP A 23 -5.738 10.376 -7.688 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.819 10.862 -7.287 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.731 11.035 -8.028 1.00 0.00 O ATOM 0 H ASP A 23 -7.828 7.632 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.730 6.995 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.730 8.600 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.469 8.552 -8.539 1.00 0.00 H new ATOM 324 N CYS A 24 -4.732 7.772 -4.371 1.00 0.00 N ATOM 325 CA CYS A 24 -3.715 7.949 -3.344 1.00 0.00 C ATOM 326 C CYS A 24 -2.714 6.795 -3.369 1.00 0.00 C ATOM 327 O CYS A 24 -2.226 6.374 -2.322 1.00 0.00 O ATOM 328 CB CYS A 24 -4.379 8.132 -1.981 1.00 0.00 C ATOM 329 SG CYS A 24 -5.119 6.601 -1.363 1.00 0.00 S ATOM 0 H CYS A 24 -5.532 7.219 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.143 8.854 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.639 8.490 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.149 8.900 -2.055 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.000 6.170 -2.216 1.00 0.00 H new ATOM 335 N ILE A 25 -2.410 6.302 -4.573 1.00 0.00 N ATOM 336 CA ILE A 25 -1.516 5.187 -4.847 1.00 0.00 C ATOM 337 C ILE A 25 -0.378 5.698 -5.730 1.00 0.00 C ATOM 338 O ILE A 25 -0.614 6.239 -6.808 1.00 0.00 O ATOM 339 CB ILE A 25 -2.276 3.983 -5.450 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.597 4.290 -6.178 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.620 3.011 -4.316 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.424 5.132 -7.446 1.00 0.00 C ATOM 0 H ILE A 25 -2.806 6.696 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.087 4.805 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.597 3.588 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.083 3.350 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.265 4.814 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.157 2.154 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.702 2.670 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.246 3.517 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.398 5.306 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.967 6.088 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.783 4.602 -8.150 1.00 0.00 H new ATOM 354 N HIS A 26 0.859 5.581 -5.244 1.00 0.00 N ATOM 355 CA HIS A 26 2.043 6.195 -5.820 1.00 0.00 C ATOM 356 C HIS A 26 3.192 5.194 -5.815 1.00 0.00 C ATOM 357 O HIS A 26 3.055 4.153 -5.204 1.00 0.00 O ATOM 358 CB HIS A 26 2.398 7.345 -4.878 1.00 0.00 C ATOM 359 CG HIS A 26 1.264 8.328 -4.709 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.788 9.180 -5.681 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.388 8.380 -3.654 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.331 9.753 -5.206 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.607 9.306 -3.971 1.00 0.00 N ATOM 0 H HIS A 26 1.065 5.035 -4.408 1.00 0.00 H new ATOM 0 HA HIS A 26 1.870 6.525 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.672 6.940 -3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.273 7.868 -5.263 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.208 9.346 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.456 7.807 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.927 10.475 -5.745 1.00 0.00 H new ATOM 371 N GLU A 27 4.317 5.489 -6.459 1.00 0.00 N ATOM 372 CA GLU A 27 5.558 4.733 -6.321 1.00 0.00 C ATOM 373 C GLU A 27 6.508 5.450 -5.372 1.00 0.00 C ATOM 374 O GLU A 27 6.272 6.587 -4.963 1.00 0.00 O ATOM 375 CB GLU A 27 6.227 4.512 -7.683 1.00 0.00 C ATOM 376 CG GLU A 27 5.468 3.387 -8.366 1.00 0.00 C ATOM 377 CD GLU A 27 5.945 3.127 -9.787 1.00 0.00 C ATOM 378 OE1 GLU A 27 7.180 3.084 -9.973 1.00 0.00 O ATOM 379 OE2 GLU A 27 5.085 2.907 -10.665 1.00 0.00 O ATOM 0 H GLU A 27 4.393 6.275 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 27 5.315 3.755 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.193 5.421 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.278 4.251 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.576 2.475 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.406 3.631 -8.384 1.00 0.00 H new ATOM 386 N GLY A 28 7.599 4.759 -5.050 1.00 0.00 N ATOM 387 CA GLY A 28 8.648 5.264 -4.190 1.00 0.00 C ATOM 388 C GLY A 28 9.930 4.471 -4.401 1.00 0.00 C ATOM 389 O GLY A 28 10.972 5.044 -4.708 1.00 0.00 O ATOM 0 H GLY A 28 7.775 3.814 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.825 6.318 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.337 5.196 -3.147 1.00 0.00 H new ATOM 393 N GLU A 29 9.826 3.146 -4.272 1.00 0.00 N ATOM 394 CA GLU A 29 10.979 2.243 -4.282 1.00 0.00 C ATOM 395 C GLU A 29 10.630 0.989 -5.080 1.00 0.00 C ATOM 396 O GLU A 29 10.660 -0.125 -4.566 1.00 0.00 O ATOM 397 CB GLU A 29 11.428 1.905 -2.851 1.00 0.00 C ATOM 398 CG GLU A 29 12.038 3.104 -2.095 1.00 0.00 C ATOM 399 CD GLU A 29 11.096 3.770 -1.101 1.00 0.00 C ATOM 400 OE1 GLU A 29 10.299 3.034 -0.484 1.00 0.00 O ATOM 401 OE2 GLU A 29 11.201 5.002 -0.932 1.00 0.00 O ATOM 0 H GLU A 29 8.933 2.667 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 29 11.822 2.737 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.572 1.530 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.161 1.100 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.928 2.767 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.364 3.848 -2.822 1.00 0.00 H new ATOM 408 N ASP A 30 10.267 1.206 -6.345 1.00 0.00 N ATOM 409 CA ASP A 30 9.796 0.203 -7.287 1.00 0.00 C ATOM 410 C ASP A 30 8.751 -0.735 -6.674 1.00 0.00 C ATOM 411 O ASP A 30 8.701 -1.929 -6.969 1.00 0.00 O ATOM 412 CB ASP A 30 10.992 -0.544 -7.888 1.00 0.00 C ATOM 413 CG ASP A 30 10.717 -1.041 -9.302 1.00 0.00 C ATOM 414 OD1 ASP A 30 9.967 -0.341 -10.019 1.00 0.00 O ATOM 415 OD2 ASP A 30 11.280 -2.092 -9.671 1.00 0.00 O ATOM 0 H ASP A 30 10.297 2.139 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 30 9.274 0.710 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.860 0.116 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.245 -1.392 -7.251 1.00 0.00 H new ATOM 420 N GLN A 31 7.894 -0.163 -5.831 1.00 0.00 N ATOM 421 CA GLN A 31 6.731 -0.771 -5.227 1.00 0.00 C ATOM 422 C GLN A 31 5.753 0.372 -5.031 1.00 0.00 C ATOM 423 O GLN A 31 6.185 1.523 -4.921 1.00 0.00 O ATOM 424 CB GLN A 31 7.082 -1.424 -3.886 1.00 0.00 C ATOM 425 CG GLN A 31 7.840 -0.500 -2.913 1.00 0.00 C ATOM 426 CD GLN A 31 7.364 -0.643 -1.474 1.00 0.00 C ATOM 427 OE1 GLN A 31 8.067 -1.151 -0.611 1.00 0.00 O ATOM 428 NE2 GLN A 31 6.159 -0.172 -1.199 1.00 0.00 N ATOM 0 H GLN A 31 8.011 0.807 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 31 6.318 -1.565 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.163 -1.761 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.688 -2.311 -4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.906 -0.723 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.716 0.535 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.594 0.247 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.795 -0.227 -0.248 1.00 0.00 H new ATOM 437 N TYR A 32 4.459 0.063 -4.995 1.00 0.00 N ATOM 438 CA TYR A 32 3.463 1.093 -4.784 1.00 0.00 C ATOM 439 C TYR A 32 3.420 1.510 -3.315 1.00 0.00 C ATOM 440 O TYR A 32 3.946 0.822 -2.444 1.00 0.00 O ATOM 441 CB TYR A 32 2.099 0.682 -5.353 1.00 0.00 C ATOM 442 CG TYR A 32 1.945 1.116 -6.796 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.785 0.558 -7.777 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.220 2.286 -7.090 1.00 0.00 C ATOM 445 CE1 TYR A 32 2.941 1.194 -9.020 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.374 2.922 -8.333 1.00 0.00 C ATOM 447 CZ TYR A 32 2.245 2.383 -9.293 1.00 0.00 C ATOM 448 OH TYR A 32 2.491 3.074 -10.440 1.00 0.00 O ATOM 0 H TYR A 32 4.086 -0.880 -5.108 1.00 0.00 H new ATOM 0 HA TYR A 32 3.752 1.982 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.986 -0.400 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.305 1.125 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.312 -0.363 -7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.542 2.697 -6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.596 0.769 -9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.823 3.825 -8.550 1.00 0.00 H new ATOM 0 HH TYR A 32 3.378 2.836 -10.781 1.00 0.00 H new ATOM 458 N TYR A 33 2.812 2.662 -3.063 1.00 0.00 N ATOM 459 CA TYR A 33 2.740 3.350 -1.797 1.00 0.00 C ATOM 460 C TYR A 33 1.357 3.976 -1.737 1.00 0.00 C ATOM 461 O TYR A 33 1.069 4.897 -2.499 1.00 0.00 O ATOM 462 CB TYR A 33 3.836 4.423 -1.759 1.00 0.00 C ATOM 463 CG TYR A 33 5.099 3.931 -1.096 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.119 3.824 0.302 1.00 0.00 C ATOM 465 CD2 TYR A 33 6.178 3.441 -1.852 1.00 0.00 C ATOM 466 CE1 TYR A 33 6.203 3.218 0.952 1.00 0.00 C ATOM 467 CE2 TYR A 33 7.279 2.858 -1.199 1.00 0.00 C ATOM 468 CZ TYR A 33 7.267 2.705 0.201 1.00 0.00 C ATOM 469 OH TYR A 33 8.307 2.133 0.862 1.00 0.00 O ATOM 0 H TYR A 33 2.322 3.171 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 33 2.893 2.686 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.063 4.743 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.466 5.298 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.294 4.211 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.162 3.512 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.217 3.147 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.133 2.528 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 33 9.068 2.034 0.252 1.00 0.00 H new ATOM 479 N ILE A 34 0.504 3.452 -0.859 1.00 0.00 N ATOM 480 CA ILE A 34 -0.795 4.015 -0.577 1.00 0.00 C ATOM 481 C ILE A 34 -0.582 5.132 0.446 1.00 0.00 C ATOM 482 O ILE A 34 0.113 4.890 1.429 1.00 0.00 O ATOM 483 CB ILE A 34 -1.721 2.914 -0.004 1.00 0.00 C ATOM 484 CG1 ILE A 34 -2.199 1.941 -1.105 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.923 3.536 0.727 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.833 0.666 -0.542 1.00 0.00 C ATOM 0 H ILE A 34 0.709 2.611 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.266 4.411 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.138 2.339 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.923 2.449 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.352 1.671 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.559 2.743 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.567 4.158 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.496 4.148 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.149 0.023 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.104 0.138 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.699 0.928 0.066 1.00 0.00 H new ATOM 498 N ASP A 35 -1.147 6.334 0.261 1.00 0.00 N ATOM 499 CA ASP A 35 -1.154 7.289 1.367 1.00 0.00 C ATOM 500 C ASP A 35 -2.239 6.795 2.329 1.00 0.00 C ATOM 501 O ASP A 35 -3.415 6.823 1.958 1.00 0.00 O ATOM 502 CB ASP A 35 -1.473 8.736 0.964 1.00 0.00 C ATOM 503 CG ASP A 35 -1.208 9.657 2.147 1.00 0.00 C ATOM 504 OD1 ASP A 35 -1.644 9.319 3.265 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.499 10.676 2.014 1.00 0.00 O ATOM 0 H ASP A 35 -1.585 6.654 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.153 7.326 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.860 9.032 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.514 8.818 0.651 1.00 0.00 H new ATOM 510 N PRO A 36 -1.891 6.338 3.537 1.00 0.00 N ATOM 511 CA PRO A 36 -2.871 5.820 4.469 1.00 0.00 C ATOM 512 C PRO A 36 -3.816 6.929 4.930 1.00 0.00 C ATOM 513 O PRO A 36 -4.960 6.667 5.285 1.00 0.00 O ATOM 514 CB PRO A 36 -2.055 5.267 5.637 1.00 0.00 C ATOM 515 CG PRO A 36 -0.766 6.088 5.619 1.00 0.00 C ATOM 516 CD PRO A 36 -0.572 6.403 4.142 1.00 0.00 C ATOM 0 HA PRO A 36 -3.501 5.052 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.586 5.381 6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.851 4.204 5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.859 6.996 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.075 5.525 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.131 7.391 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.105 5.687 3.677 1.00 0.00 H new ATOM 524 N ASP A 37 -3.326 8.166 4.953 1.00 0.00 N ATOM 525 CA ASP A 37 -4.044 9.306 5.480 1.00 0.00 C ATOM 526 C ASP A 37 -4.996 9.857 4.415 1.00 0.00 C ATOM 527 O ASP A 37 -6.029 10.420 4.772 1.00 0.00 O ATOM 528 CB ASP A 37 -3.039 10.338 6.012 1.00 0.00 C ATOM 529 CG ASP A 37 -2.046 9.689 6.968 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.489 9.173 8.013 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.837 9.635 6.633 1.00 0.00 O ATOM 0 H ASP A 37 -2.399 8.401 4.597 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.670 9.017 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.503 10.793 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.572 11.140 6.524 1.00 0.00 H new ATOM 536 N VAL A 38 -4.685 9.689 3.118 1.00 0.00 N ATOM 537 CA VAL A 38 -5.641 10.030 2.060 1.00 0.00 C ATOM 538 C VAL A 38 -6.603 8.861 1.784 1.00 0.00 C ATOM 539 O VAL A 38 -7.757 9.100 1.429 1.00 0.00 O ATOM 540 CB VAL A 38 -4.934 10.552 0.795 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.943 11.034 -0.258 1.00 0.00 C ATOM 542 CG2 VAL A 38 -4.008 11.730 1.132 1.00 0.00 C ATOM 0 H VAL A 38 -3.793 9.325 2.784 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.256 10.857 2.413 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.357 9.718 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.408 11.395 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.593 10.207 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.545 11.842 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.520 12.081 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.594 12.541 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.252 11.406 1.847 1.00 0.00 H new ATOM 552 N CYS A 39 -6.162 7.605 1.935 1.00 0.00 N ATOM 553 CA CYS A 39 -7.034 6.448 1.742 1.00 0.00 C ATOM 554 C CYS A 39 -8.273 6.530 2.648 1.00 0.00 C ATOM 555 O CYS A 39 -8.164 6.748 3.852 1.00 0.00 O ATOM 556 CB CYS A 39 -6.282 5.169 2.005 1.00 0.00 C ATOM 557 SG CYS A 39 -7.316 3.689 1.999 1.00 0.00 S ATOM 0 H CYS A 39 -5.203 7.368 2.191 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.369 6.452 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.503 5.057 1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.783 5.246 2.971 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.579 2.644 2.232 1.00 0.00 H new ATOM 562 N ILE A 40 -9.461 6.335 2.063 1.00 0.00 N ATOM 563 CA ILE A 40 -10.744 6.418 2.757 1.00 0.00 C ATOM 564 C ILE A 40 -11.304 5.017 3.060 1.00 0.00 C ATOM 565 O ILE A 40 -12.513 4.804 3.014 1.00 0.00 O ATOM 566 CB ILE A 40 -11.709 7.294 1.932 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.890 6.751 0.502 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.230 8.757 1.917 1.00 0.00 C ATOM 569 CD1 ILE A 40 -13.092 7.386 -0.204 1.00 0.00 C ATOM 0 H ILE A 40 -9.555 6.110 1.072 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.611 6.895 3.728 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.686 7.258 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.986 6.944 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -12.021 5.669 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.923 9.361 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.191 9.138 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.236 8.810 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.183 6.975 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.000 7.171 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.950 8.465 -0.265 1.00 0.00 H new ATOM 581 N ASP A 41 -10.418 4.062 3.365 1.00 0.00 N ATOM 582 CA ASP A 41 -10.730 2.691 3.781 1.00 0.00 C ATOM 583 C ASP A 41 -11.715 1.954 2.866 1.00 0.00 C ATOM 584 O ASP A 41 -12.456 1.075 3.301 1.00 0.00 O ATOM 585 CB ASP A 41 -11.152 2.656 5.262 1.00 0.00 C ATOM 586 CG ASP A 41 -9.952 2.534 6.177 1.00 0.00 C ATOM 587 OD1 ASP A 41 -9.091 1.653 5.957 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.810 3.321 7.128 1.00 0.00 O ATOM 0 H ASP A 41 -9.413 4.234 3.326 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.805 2.124 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.706 3.563 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.826 1.816 5.430 1.00 0.00 H new ATOM 593 N CYS A 42 -11.681 2.260 1.571 1.00 0.00 N ATOM 594 CA CYS A 42 -12.628 1.702 0.617 1.00 0.00 C ATOM 595 C CYS A 42 -12.414 0.200 0.342 1.00 0.00 C ATOM 596 O CYS A 42 -13.329 -0.495 -0.097 1.00 0.00 O ATOM 597 CB CYS A 42 -12.554 2.493 -0.661 1.00 0.00 C ATOM 598 SG CYS A 42 -11.389 1.858 -1.886 1.00 0.00 S ATOM 0 H CYS A 42 -11.000 2.898 1.158 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.622 1.779 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.547 2.525 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.280 3.520 -0.420 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.815 2.145 -3.080 1.00 0.00 H new ATOM 603 N GLY A 43 -11.196 -0.297 0.581 1.00 0.00 N ATOM 604 CA GLY A 43 -10.765 -1.620 0.159 1.00 0.00 C ATOM 605 C GLY A 43 -10.349 -1.571 -1.318 1.00 0.00 C ATOM 606 O GLY A 43 -9.602 -0.679 -1.725 1.00 0.00 O ATOM 0 H GLY A 43 -10.475 0.223 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.929 -1.956 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.572 -2.339 0.298 1.00 0.00 H new ATOM 610 N ALA A 44 -10.828 -2.527 -2.122 1.00 0.00 N ATOM 611 CA ALA A 44 -10.562 -2.651 -3.556 1.00 0.00 C ATOM 612 C ALA A 44 -9.093 -2.958 -3.871 1.00 0.00 C ATOM 613 O ALA A 44 -8.791 -4.054 -4.340 1.00 0.00 O ATOM 614 CB ALA A 44 -11.091 -1.441 -4.340 1.00 0.00 C ATOM 0 H ALA A 44 -11.438 -3.267 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.121 -3.522 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.874 -1.571 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.168 -1.358 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.607 -0.534 -3.979 1.00 0.00 H new ATOM 620 N CYS A 45 -8.190 -2.006 -3.625 1.00 0.00 N ATOM 621 CA CYS A 45 -6.759 -2.143 -3.880 1.00 0.00 C ATOM 622 C CYS A 45 -6.221 -3.458 -3.304 1.00 0.00 C ATOM 623 O CYS A 45 -5.594 -4.239 -4.018 1.00 0.00 O ATOM 624 CB CYS A 45 -6.019 -0.926 -3.386 1.00 0.00 C ATOM 625 SG CYS A 45 -6.182 -0.541 -1.626 1.00 0.00 S ATOM 0 H CYS A 45 -8.442 -1.098 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.590 -2.196 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.960 -1.056 -3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.362 -0.063 -3.957 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.441 -0.489 -1.308 1.00 0.00 H new ATOM 630 N GLU A 46 -6.528 -3.734 -2.033 1.00 0.00 N ATOM 631 CA GLU A 46 -6.190 -4.984 -1.364 1.00 0.00 C ATOM 632 C GLU A 46 -6.590 -6.179 -2.238 1.00 0.00 C ATOM 633 O GLU A 46 -5.751 -6.994 -2.617 1.00 0.00 O ATOM 634 CB GLU A 46 -6.831 -4.984 0.034 1.00 0.00 C ATOM 635 CG GLU A 46 -6.354 -6.134 0.935 1.00 0.00 C ATOM 636 CD GLU A 46 -6.996 -7.472 0.592 1.00 0.00 C ATOM 637 OE1 GLU A 46 -8.224 -7.469 0.364 1.00 0.00 O ATOM 638 OE2 GLU A 46 -6.246 -8.472 0.566 1.00 0.00 O ATOM 0 H GLU A 46 -7.028 -3.079 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.113 -5.077 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.611 -4.036 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.914 -5.044 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.271 -6.226 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.575 -5.888 1.974 1.00 0.00 H new ATOM 645 N ALA A 47 -7.868 -6.238 -2.613 1.00 0.00 N ATOM 646 CA ALA A 47 -8.431 -7.361 -3.341 1.00 0.00 C ATOM 647 C ALA A 47 -7.728 -7.602 -4.680 1.00 0.00 C ATOM 648 O ALA A 47 -7.676 -8.745 -5.131 1.00 0.00 O ATOM 649 CB ALA A 47 -9.936 -7.156 -3.534 1.00 0.00 C ATOM 0 H ALA A 47 -8.542 -5.498 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.268 -8.258 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.351 -8.002 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.421 -7.080 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.109 -6.239 -4.098 1.00 0.00 H new ATOM 655 N VAL A 48 -7.209 -6.554 -5.335 1.00 0.00 N ATOM 656 CA VAL A 48 -6.543 -6.728 -6.625 1.00 0.00 C ATOM 657 C VAL A 48 -5.054 -7.068 -6.489 1.00 0.00 C ATOM 658 O VAL A 48 -4.447 -7.416 -7.499 1.00 0.00 O ATOM 659 CB VAL A 48 -6.798 -5.550 -7.583 1.00 0.00 C ATOM 660 CG1 VAL A 48 -8.280 -5.470 -7.969 1.00 0.00 C ATOM 661 CG2 VAL A 48 -6.347 -4.209 -7.011 1.00 0.00 C ATOM 0 H VAL A 48 -7.238 -5.592 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.005 -7.602 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.197 -5.747 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.435 -4.630 -8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.578 -6.395 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.883 -5.329 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.553 -3.418 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.888 -4.007 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.277 -4.243 -6.805 1.00 0.00 H new ATOM 671 N CYS A 49 -4.457 -7.026 -5.289 1.00 0.00 N ATOM 672 CA CYS A 49 -3.106 -7.548 -5.088 1.00 0.00 C ATOM 673 C CYS A 49 -3.240 -9.068 -4.883 1.00 0.00 C ATOM 674 O CYS A 49 -3.771 -9.477 -3.847 1.00 0.00 O ATOM 675 CB CYS A 49 -2.460 -6.875 -3.891 1.00 0.00 C ATOM 676 SG CYS A 49 -0.679 -7.041 -3.704 1.00 0.00 S ATOM 0 H CYS A 49 -4.889 -6.638 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.466 -7.344 -5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.696 -5.812 -3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.931 -7.268 -2.990 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.206 -5.989 -3.105 1.00 0.00 H new ATOM 681 N PRO A 50 -2.788 -9.945 -5.803 1.00 0.00 N ATOM 682 CA PRO A 50 -3.021 -11.392 -5.718 1.00 0.00 C ATOM 683 C PRO A 50 -2.066 -12.065 -4.716 1.00 0.00 C ATOM 684 O PRO A 50 -1.509 -13.131 -4.971 1.00 0.00 O ATOM 685 CB PRO A 50 -2.821 -11.899 -7.151 1.00 0.00 C ATOM 686 CG PRO A 50 -1.774 -10.942 -7.723 1.00 0.00 C ATOM 687 CD PRO A 50 -2.077 -9.613 -7.027 1.00 0.00 C ATOM 0 HA PRO A 50 -4.017 -11.630 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.473 -12.932 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.749 -11.867 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.761 -11.283 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.860 -10.855 -8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.157 -9.071 -6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.682 -8.969 -7.665 1.00 0.00 H new ATOM 695 N VAL A 51 -1.861 -11.405 -3.580 1.00 0.00 N ATOM 696 CA VAL A 51 -0.877 -11.674 -2.547 1.00 0.00 C ATOM 697 C VAL A 51 -1.350 -11.050 -1.223 1.00 0.00 C ATOM 698 O VAL A 51 -0.955 -11.528 -0.160 1.00 0.00 O ATOM 699 CB VAL A 51 0.541 -11.186 -2.972 1.00 0.00 C ATOM 700 CG1 VAL A 51 0.616 -10.571 -4.380 1.00 0.00 C ATOM 701 CG2 VAL A 51 1.143 -10.129 -2.037 1.00 0.00 C ATOM 0 H VAL A 51 -2.434 -10.595 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.787 -12.750 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 51 1.104 -12.118 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.640 -10.261 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.305 -11.311 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.043 -9.705 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.129 -9.841 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.495 -9.253 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.233 -10.541 -1.032 1.00 0.00 H new ATOM 711 N SER A 52 -2.147 -9.969 -1.268 1.00 0.00 N ATOM 712 CA SER A 52 -2.513 -9.185 -0.102 1.00 0.00 C ATOM 713 C SER A 52 -1.253 -8.701 0.621 1.00 0.00 C ATOM 714 O SER A 52 -1.032 -9.028 1.784 1.00 0.00 O ATOM 715 CB SER A 52 -3.459 -9.988 0.797 1.00 0.00 C ATOM 716 OG SER A 52 -4.576 -10.438 0.056 1.00 0.00 O ATOM 0 H SER A 52 -2.556 -9.619 -2.135 1.00 0.00 H new ATOM 0 HA SER A 52 -3.059 -8.292 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.930 -10.840 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.792 -9.369 1.630 1.00 0.00 H new ATOM 0 HG SER A 52 -5.386 -9.995 0.385 1.00 0.00 H new ATOM 722 N ALA A 53 -0.421 -7.923 -0.083 1.00 0.00 N ATOM 723 CA ALA A 53 0.721 -7.207 0.490 1.00 0.00 C ATOM 724 C ALA A 53 0.247 -5.929 1.187 1.00 0.00 C ATOM 725 O ALA A 53 0.923 -5.391 2.069 1.00 0.00 O ATOM 726 CB ALA A 53 1.705 -6.831 -0.620 1.00 0.00 C ATOM 0 H ALA A 53 -0.527 -7.772 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 53 1.211 -7.856 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.553 -6.299 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.058 -7.736 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.206 -6.191 -1.347 1.00 0.00 H new ATOM 732 N ILE A 54 -0.907 -5.433 0.731 1.00 0.00 N ATOM 733 CA ILE A 54 -1.641 -4.336 1.321 1.00 0.00 C ATOM 734 C ILE A 54 -2.261 -4.875 2.609 1.00 0.00 C ATOM 735 O ILE A 54 -3.067 -5.801 2.556 1.00 0.00 O ATOM 736 CB ILE A 54 -2.712 -3.855 0.322 1.00 0.00 C ATOM 737 CG1 ILE A 54 -2.046 -3.341 -0.967 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.553 -2.731 0.943 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.993 -3.146 -2.150 1.00 0.00 C ATOM 0 H ILE A 54 -1.366 -5.810 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.006 -3.480 1.549 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.360 -4.698 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.558 -2.391 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.264 -4.042 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.305 -2.401 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.046 -3.100 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.906 -1.893 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.431 -2.782 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.463 -4.097 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.761 -2.420 -1.885 1.00 0.00 H new ATOM 751 N TYR A 55 -1.879 -4.319 3.758 1.00 0.00 N ATOM 752 CA TYR A 55 -2.427 -4.684 5.049 1.00 0.00 C ATOM 753 C TYR A 55 -2.886 -3.416 5.747 1.00 0.00 C ATOM 754 O TYR A 55 -2.501 -2.315 5.365 1.00 0.00 O ATOM 755 CB TYR A 55 -1.331 -5.339 5.881 1.00 0.00 C ATOM 756 CG TYR A 55 -0.846 -6.686 5.393 1.00 0.00 C ATOM 757 CD1 TYR A 55 -1.740 -7.769 5.296 1.00 0.00 C ATOM 758 CD2 TYR A 55 0.510 -6.866 5.059 1.00 0.00 C ATOM 759 CE1 TYR A 55 -1.287 -9.011 4.823 1.00 0.00 C ATOM 760 CE2 TYR A 55 0.961 -8.109 4.587 1.00 0.00 C ATOM 761 CZ TYR A 55 0.054 -9.170 4.438 1.00 0.00 C ATOM 762 OH TYR A 55 0.412 -10.253 3.698 1.00 0.00 O ATOM 0 H TYR A 55 -1.167 -3.590 3.811 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.262 -5.374 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.479 -4.661 5.922 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.696 -5.454 6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.773 -7.645 5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.205 -6.046 5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.970 -9.845 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.003 -8.248 4.339 1.00 0.00 H new ATOM 0 HH TYR A 55 0.040 -10.170 2.795 1.00 0.00 H new ATOM 772 N HIS A 56 -3.684 -3.568 6.798 1.00 0.00 N ATOM 773 CA HIS A 56 -4.035 -2.454 7.659 1.00 0.00 C ATOM 774 C HIS A 56 -2.839 -2.101 8.533 1.00 0.00 C ATOM 775 O HIS A 56 -2.029 -2.966 8.868 1.00 0.00 O ATOM 776 CB HIS A 56 -5.265 -2.823 8.496 1.00 0.00 C ATOM 777 CG HIS A 56 -6.247 -1.689 8.669 1.00 0.00 C ATOM 778 ND1 HIS A 56 -6.603 -1.119 9.865 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.929 -1.027 7.683 1.00 0.00 C ATOM 780 CE1 HIS A 56 -7.466 -0.125 9.614 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.680 -0.013 8.291 1.00 0.00 N ATOM 0 H HIS A 56 -4.100 -4.458 7.072 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.289 -1.577 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.774 -3.664 8.025 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.936 -3.160 9.479 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.269 -1.403 10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.894 -1.247 6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.925 0.498 10.368 1.00 0.00 H new ATOM 789 N GLU A 57 -2.707 -0.834 8.917 1.00 0.00 N ATOM 790 CA GLU A 57 -1.573 -0.414 9.707 1.00 0.00 C ATOM 791 C GLU A 57 -1.408 -1.234 10.981 1.00 0.00 C ATOM 792 O GLU A 57 -0.300 -1.597 11.370 1.00 0.00 O ATOM 793 CB GLU A 57 -1.710 1.063 10.062 1.00 0.00 C ATOM 794 CG GLU A 57 -2.009 1.999 8.901 1.00 0.00 C ATOM 795 CD GLU A 57 -1.836 3.455 9.308 1.00 0.00 C ATOM 796 OE1 GLU A 57 -0.902 3.738 10.087 1.00 0.00 O ATOM 797 OE2 GLU A 57 -2.617 4.302 8.831 1.00 0.00 O ATOM 0 H GLU A 57 -3.370 -0.092 8.692 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.682 -0.576 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.504 1.167 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.786 1.390 10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.346 1.771 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.028 1.835 8.552 1.00 0.00 H new ATOM 804 N ASP A 58 -2.513 -1.550 11.646 1.00 0.00 N ATOM 805 CA ASP A 58 -2.440 -2.341 12.851 1.00 0.00 C ATOM 806 C ASP A 58 -2.044 -3.784 12.537 1.00 0.00 C ATOM 807 O ASP A 58 -1.453 -4.447 13.389 1.00 0.00 O ATOM 808 CB ASP A 58 -3.767 -2.236 13.595 1.00 0.00 C ATOM 809 CG ASP A 58 -4.894 -2.830 12.785 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.151 -2.222 11.726 1.00 0.00 O ATOM 811 OD2 ASP A 58 -5.448 -3.866 13.201 1.00 0.00 O ATOM 0 H ASP A 58 -3.455 -1.271 11.370 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.658 -1.955 13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.692 -2.752 14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.984 -1.190 13.812 1.00 0.00 H new ATOM 816 N PHE A 59 -2.300 -4.251 11.309 1.00 0.00 N ATOM 817 CA PHE A 59 -1.959 -5.608 10.901 1.00 0.00 C ATOM 818 C PHE A 59 -0.457 -5.725 10.668 1.00 0.00 C ATOM 819 O PHE A 59 0.157 -6.719 11.047 1.00 0.00 O ATOM 820 CB PHE A 59 -2.691 -5.984 9.605 1.00 0.00 C ATOM 821 CG PHE A 59 -4.008 -6.709 9.745 1.00 0.00 C ATOM 822 CD1 PHE A 59 -4.919 -6.360 10.758 1.00 0.00 C ATOM 823 CD2 PHE A 59 -4.363 -7.670 8.780 1.00 0.00 C ATOM 824 CE1 PHE A 59 -6.166 -7.003 10.830 1.00 0.00 C ATOM 825 CE2 PHE A 59 -5.617 -8.298 8.842 1.00 0.00 C ATOM 826 CZ PHE A 59 -6.517 -7.970 9.871 1.00 0.00 C ATOM 0 H PHE A 59 -2.747 -3.698 10.578 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.264 -6.286 11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.867 -5.070 9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.024 -6.606 9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.660 -5.599 11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.670 -7.924 7.991 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.856 -6.754 11.623 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.890 -9.033 8.099 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.478 -8.460 9.925 1.00 0.00 H new ATOM 836 N VAL A 60 0.115 -4.745 9.967 1.00 0.00 N ATOM 837 CA VAL A 60 1.514 -4.779 9.559 1.00 0.00 C ATOM 838 C VAL A 60 2.408 -5.045 10.784 1.00 0.00 C ATOM 839 O VAL A 60 2.319 -4.284 11.749 1.00 0.00 O ATOM 840 CB VAL A 60 1.870 -3.448 8.887 1.00 0.00 C ATOM 841 CG1 VAL A 60 3.373 -3.338 8.621 1.00 0.00 C ATOM 842 CG2 VAL A 60 1.101 -3.253 7.576 1.00 0.00 C ATOM 0 H VAL A 60 -0.382 -3.906 9.667 1.00 0.00 H new ATOM 0 HA VAL A 60 1.679 -5.585 8.844 1.00 0.00 H new ATOM 0 HB VAL A 60 1.578 -2.661 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.589 -2.382 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.915 -3.404 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.687 -4.150 7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.380 -2.299 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.345 -4.062 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.030 -3.260 7.778 1.00 0.00 H new ATOM 852 N PRO A 61 3.254 -6.090 10.784 1.00 0.00 N ATOM 853 CA PRO A 61 4.164 -6.372 11.886 1.00 0.00 C ATOM 854 C PRO A 61 5.094 -5.196 12.197 1.00 0.00 C ATOM 855 O PRO A 61 5.474 -4.448 11.299 1.00 0.00 O ATOM 856 CB PRO A 61 4.977 -7.595 11.449 1.00 0.00 C ATOM 857 CG PRO A 61 4.074 -8.292 10.435 1.00 0.00 C ATOM 858 CD PRO A 61 3.340 -7.130 9.771 1.00 0.00 C ATOM 0 HA PRO A 61 3.603 -6.551 12.803 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.928 -7.304 11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.206 -8.245 12.293 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.650 -8.871 9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.383 -8.982 10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.879 -6.777 8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.348 -7.433 9.436 1.00 0.00 H new ATOM 866 N GLU A 62 5.486 -5.055 13.461 1.00 0.00 N ATOM 867 CA GLU A 62 6.455 -4.152 14.029 1.00 0.00 C ATOM 868 C GLU A 62 7.721 -4.042 13.169 1.00 0.00 C ATOM 869 O GLU A 62 8.166 -2.937 12.864 1.00 0.00 O ATOM 870 CB GLU A 62 6.689 -4.721 15.428 1.00 0.00 C ATOM 871 CG GLU A 62 5.619 -4.279 16.449 1.00 0.00 C ATOM 872 CD GLU A 62 4.184 -4.410 15.950 1.00 0.00 C ATOM 873 OE1 GLU A 62 3.830 -5.515 15.489 1.00 0.00 O ATOM 874 OE2 GLU A 62 3.468 -3.384 15.940 1.00 0.00 O ATOM 0 H GLU A 62 5.078 -5.645 14.186 1.00 0.00 H new ATOM 0 HA GLU A 62 6.114 -3.118 14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.702 -5.810 15.373 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.671 -4.407 15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.732 -4.873 17.356 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.803 -3.240 16.723 1.00 0.00 H new ATOM 881 N GLU A 63 8.269 -5.168 12.716 1.00 0.00 N ATOM 882 CA GLU A 63 9.372 -5.215 11.765 1.00 0.00 C ATOM 883 C GLU A 63 9.142 -4.266 10.578 1.00 0.00 C ATOM 884 O GLU A 63 10.067 -3.603 10.109 1.00 0.00 O ATOM 885 CB GLU A 63 9.561 -6.656 11.271 1.00 0.00 C ATOM 886 CG GLU A 63 9.833 -7.668 12.399 1.00 0.00 C ATOM 887 CD GLU A 63 8.582 -8.393 12.894 1.00 0.00 C ATOM 888 OE1 GLU A 63 7.619 -7.688 13.266 1.00 0.00 O ATOM 889 OE2 GLU A 63 8.610 -9.641 12.887 1.00 0.00 O ATOM 0 H GLU A 63 7.950 -6.092 13.008 1.00 0.00 H new ATOM 0 HA GLU A 63 10.276 -4.881 12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.668 -6.964 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.390 -6.682 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.553 -8.406 12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.295 -7.147 13.238 1.00 0.00 H new ATOM 896 N TRP A 64 7.899 -4.216 10.095 1.00 0.00 N ATOM 897 CA TRP A 64 7.464 -3.445 8.943 1.00 0.00 C ATOM 898 C TRP A 64 6.648 -2.205 9.340 1.00 0.00 C ATOM 899 O TRP A 64 6.160 -1.497 8.459 1.00 0.00 O ATOM 900 CB TRP A 64 6.692 -4.387 8.010 1.00 0.00 C ATOM 901 CG TRP A 64 7.483 -5.482 7.350 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.829 -5.511 7.188 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.984 -6.696 6.703 1.00 0.00 C ATOM 904 NE1 TRP A 64 9.187 -6.648 6.499 1.00 0.00 N ATOM 905 CE2 TRP A 64 8.099 -7.424 6.195 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.705 -7.242 6.452 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.965 -8.623 5.486 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.555 -8.437 5.719 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.682 -9.107 5.208 1.00 0.00 C ATOM 0 H TRP A 64 7.136 -4.740 10.522 1.00 0.00 H new ATOM 0 HA TRP A 64 8.333 -3.046 8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.886 -4.847 8.582 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.226 -3.786 7.229 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.515 -4.757 7.545 1.00 0.00 H new ATOM 0 HE1 TRP A 64 10.146 -6.884 6.245 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.828 -6.736 6.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.839 -9.167 5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.568 -8.841 5.548 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.557 -9.993 4.603 1.00 0.00 H new ATOM 920 N LYS A 65 6.552 -1.867 10.633 1.00 0.00 N ATOM 921 CA LYS A 65 5.968 -0.600 11.080 1.00 0.00 C ATOM 922 C LYS A 65 6.729 0.581 10.454 1.00 0.00 C ATOM 923 O LYS A 65 6.169 1.646 10.191 1.00 0.00 O ATOM 924 CB LYS A 65 5.889 -0.562 12.614 1.00 0.00 C ATOM 925 CG LYS A 65 4.473 -0.454 13.204 1.00 0.00 C ATOM 926 CD LYS A 65 3.629 -1.721 12.980 1.00 0.00 C ATOM 927 CE LYS A 65 2.264 -1.644 13.686 1.00 0.00 C ATOM 928 NZ LYS A 65 1.745 -2.993 14.004 1.00 0.00 N ATOM 0 H LYS A 65 6.876 -2.463 11.394 1.00 0.00 H new ATOM 0 HA LYS A 65 4.939 -0.512 10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.359 -1.464 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.477 0.284 12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.545 -0.257 14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.963 0.399 12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.475 -1.868 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.177 -2.589 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.359 -1.063 14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.552 -1.119 13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.705 -2.973 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.076 -3.670 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.089 -3.285 14.941 1.00 0.00 H new ATOM 942 N SER A 66 8.005 0.364 10.140 1.00 0.00 N ATOM 943 CA SER A 66 8.829 1.247 9.342 1.00 0.00 C ATOM 944 C SER A 66 8.112 1.648 8.045 1.00 0.00 C ATOM 945 O SER A 66 8.100 2.823 7.677 1.00 0.00 O ATOM 946 CB SER A 66 10.127 0.482 9.057 1.00 0.00 C ATOM 947 OG SER A 66 9.795 -0.880 8.820 1.00 0.00 O ATOM 0 H SER A 66 8.506 -0.468 10.451 1.00 0.00 H new ATOM 0 HA SER A 66 9.037 2.178 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.636 0.906 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.811 0.565 9.901 1.00 0.00 H new ATOM 0 HG SER A 66 10.082 -1.424 9.583 1.00 0.00 H new ATOM 953 N TYR A 67 7.483 0.696 7.351 1.00 0.00 N ATOM 954 CA TYR A 67 6.764 1.026 6.134 1.00 0.00 C ATOM 955 C TYR A 67 5.531 1.873 6.421 1.00 0.00 C ATOM 956 O TYR A 67 5.195 2.697 5.581 1.00 0.00 O ATOM 957 CB TYR A 67 6.349 -0.198 5.324 1.00 0.00 C ATOM 958 CG TYR A 67 7.481 -0.937 4.636 1.00 0.00 C ATOM 959 CD1 TYR A 67 7.908 -0.535 3.357 1.00 0.00 C ATOM 960 CD2 TYR A 67 8.081 -2.051 5.251 1.00 0.00 C ATOM 961 CE1 TYR A 67 8.924 -1.249 2.699 1.00 0.00 C ATOM 962 CE2 TYR A 67 9.082 -2.777 4.581 1.00 0.00 C ATOM 963 CZ TYR A 67 9.506 -2.375 3.302 1.00 0.00 C ATOM 964 OH TYR A 67 10.481 -3.062 2.643 1.00 0.00 O ATOM 0 H TYR A 67 7.460 -0.290 7.611 1.00 0.00 H new ATOM 0 HA TYR A 67 7.472 1.598 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.833 -0.893 5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.629 0.115 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.455 0.322 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.772 -2.350 6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.259 -0.929 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.525 -3.644 5.049 1.00 0.00 H new ATOM 0 HH TYR A 67 10.451 -4.005 2.906 1.00 0.00 H new ATOM 974 N ILE A 68 4.837 1.711 7.553 1.00 0.00 N ATOM 975 CA ILE A 68 3.715 2.580 7.867 1.00 0.00 C ATOM 976 C ILE A 68 4.235 4.010 7.963 1.00 0.00 C ATOM 977 O ILE A 68 3.678 4.923 7.352 1.00 0.00 O ATOM 978 CB ILE A 68 3.064 2.106 9.172 1.00 0.00 C ATOM 979 CG1 ILE A 68 2.143 0.912 8.929 1.00 0.00 C ATOM 980 CG2 ILE A 68 2.252 3.201 9.848 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.339 -0.136 10.001 1.00 0.00 C ATOM 0 H ILE A 68 5.034 0.995 8.253 1.00 0.00 H new ATOM 0 HA ILE A 68 2.950 2.546 7.091 1.00 0.00 H new ATOM 0 HB ILE A 68 3.888 1.820 9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.104 1.242 8.921 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.348 0.481 7.949 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.813 2.813 10.767 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.902 4.043 10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.459 3.532 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.675 -0.979 9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.373 -0.479 9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.110 0.294 10.976 1.00 0.00 H new ATOM 993 N GLN A 69 5.330 4.193 8.707 1.00 0.00 N ATOM 994 CA GLN A 69 5.987 5.486 8.779 1.00 0.00 C ATOM 995 C GLN A 69 6.292 5.987 7.363 1.00 0.00 C ATOM 996 O GLN A 69 5.944 7.113 7.028 1.00 0.00 O ATOM 997 CB GLN A 69 7.245 5.398 9.652 1.00 0.00 C ATOM 998 CG GLN A 69 7.879 6.776 9.900 1.00 0.00 C ATOM 999 CD GLN A 69 7.476 7.364 11.247 1.00 0.00 C ATOM 1000 OE1 GLN A 69 8.085 7.064 12.267 1.00 0.00 O ATOM 1001 NE2 GLN A 69 6.455 8.216 11.266 1.00 0.00 N ATOM 0 H GLN A 69 5.773 3.461 9.263 1.00 0.00 H new ATOM 0 HA GLN A 69 5.325 6.212 9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.990 4.940 10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.974 4.746 9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.964 6.688 9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.581 7.459 9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.967 8.447 10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.160 8.639 12.146 1.00 0.00 H new ATOM 1010 N LYS A 70 6.919 5.165 6.521 1.00 0.00 N ATOM 1011 CA LYS A 70 7.334 5.593 5.190 1.00 0.00 C ATOM 1012 C LYS A 70 6.140 5.980 4.315 1.00 0.00 C ATOM 1013 O LYS A 70 6.194 6.980 3.593 1.00 0.00 O ATOM 1014 CB LYS A 70 8.179 4.493 4.532 1.00 0.00 C ATOM 1015 CG LYS A 70 8.885 4.960 3.252 1.00 0.00 C ATOM 1016 CD LYS A 70 10.014 5.975 3.514 1.00 0.00 C ATOM 1017 CE LYS A 70 10.116 7.000 2.377 1.00 0.00 C ATOM 1018 NZ LYS A 70 8.977 7.947 2.371 1.00 0.00 N ATOM 0 H LYS A 70 7.150 4.196 6.741 1.00 0.00 H new ATOM 0 HA LYS A 70 7.944 6.490 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.926 4.142 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.538 3.643 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.298 4.093 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.150 5.409 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.831 6.491 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.963 5.448 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.048 7.557 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.156 6.477 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.205 8.761 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.130 7.469 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.795 8.277 3.340 1.00 0.00 H new ATOM 1032 N ASN A 71 5.086 5.164 4.373 1.00 0.00 N ATOM 1033 CA ASN A 71 3.808 5.397 3.707 1.00 0.00 C ATOM 1034 C ASN A 71 3.185 6.723 4.172 1.00 0.00 C ATOM 1035 O ASN A 71 2.711 7.500 3.346 1.00 0.00 O ATOM 1036 CB ASN A 71 2.851 4.209 3.910 1.00 0.00 C ATOM 1037 CG ASN A 71 3.015 3.030 2.935 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.189 2.800 2.056 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.047 2.212 3.117 1.00 0.00 N ATOM 0 H ASN A 71 5.102 4.293 4.904 1.00 0.00 H new ATOM 0 HA ASN A 71 3.991 5.480 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.981 3.834 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.828 4.577 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.156 1.389 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.730 2.408 3.849 1.00 0.00 H new ATOM 1046 N ARG A 72 3.200 7.010 5.481 1.00 0.00 N ATOM 1047 CA ARG A 72 2.718 8.257 6.048 1.00 0.00 C ATOM 1048 C ARG A 72 3.509 9.410 5.454 1.00 0.00 C ATOM 1049 O ARG A 72 2.949 10.366 4.914 1.00 0.00 O ATOM 1050 CB ARG A 72 2.946 8.209 7.561 1.00 0.00 C ATOM 1051 CG ARG A 72 2.285 9.369 8.311 1.00 0.00 C ATOM 1052 CD ARG A 72 1.345 8.770 9.347 1.00 0.00 C ATOM 1053 NE ARG A 72 0.229 8.098 8.667 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.412 6.992 9.076 1.00 0.00 C ATOM 1055 NH1 ARG A 72 0.218 6.108 9.851 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.671 6.781 8.704 1.00 0.00 N ATOM 0 H ARG A 72 3.557 6.361 6.182 1.00 0.00 H new ATOM 0 HA ARG A 72 1.659 8.396 5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.559 7.267 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.018 8.220 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.038 9.993 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.736 10.009 7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.883 8.059 9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.966 9.552 10.005 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.092 8.515 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.185 6.273 10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.267 5.267 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.147 7.459 8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.160 5.941 9.013 1.00 0.00 H new ATOM 1070 N ASP A 73 4.823 9.278 5.618 1.00 0.00 N ATOM 1071 CA ASP A 73 5.853 10.257 5.363 1.00 0.00 C ATOM 1072 C ASP A 73 5.890 10.691 3.914 1.00 0.00 C ATOM 1073 O ASP A 73 6.022 11.886 3.659 1.00 0.00 O ATOM 1074 CB ASP A 73 7.179 9.603 5.747 1.00 0.00 C ATOM 1075 CG ASP A 73 8.366 10.365 5.184 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.615 11.492 5.665 1.00 0.00 O ATOM 1077 OD2 ASP A 73 8.947 9.846 4.205 1.00 0.00 O ATOM 0 H ASP A 73 5.219 8.404 5.963 1.00 0.00 H new ATOM 0 HA ASP A 73 5.656 11.157 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.260 9.555 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.198 8.577 5.380 1.00 0.00 H new ATOM 1082 N PHE A 74 5.824 9.735 2.987 1.00 0.00 N ATOM 1083 CA PHE A 74 6.020 9.955 1.560 1.00 0.00 C ATOM 1084 C PHE A 74 5.488 11.304 1.073 1.00 0.00 C ATOM 1085 O PHE A 74 6.196 12.056 0.409 1.00 0.00 O ATOM 1086 CB PHE A 74 5.419 8.803 0.761 1.00 0.00 C ATOM 1087 CG PHE A 74 6.436 8.052 -0.061 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.007 8.690 -1.175 1.00 0.00 C ATOM 1089 CD2 PHE A 74 6.897 6.786 0.341 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.116 8.118 -1.815 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.033 6.234 -0.277 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.685 6.944 -1.299 1.00 0.00 C ATOM 0 H PHE A 74 5.627 8.761 3.218 1.00 0.00 H new ATOM 0 HA PHE A 74 7.096 9.985 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.933 8.109 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.645 9.193 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.593 9.619 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.382 6.241 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.530 8.579 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.403 5.268 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.626 6.585 -1.688 1.00 0.00 H new ATOM 1102 N PHE A 75 4.236 11.589 1.425 1.00 0.00 N ATOM 1103 CA PHE A 75 3.475 12.715 0.906 1.00 0.00 C ATOM 1104 C PHE A 75 3.350 13.846 1.934 1.00 0.00 C ATOM 1105 O PHE A 75 2.625 14.807 1.695 1.00 0.00 O ATOM 1106 CB PHE A 75 2.110 12.193 0.451 1.00 0.00 C ATOM 1107 CG PHE A 75 2.182 10.832 -0.223 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.718 10.726 -1.520 1.00 0.00 C ATOM 1109 CD2 PHE A 75 1.950 9.661 0.528 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.002 9.463 -2.063 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.152 8.397 -0.046 1.00 0.00 C ATOM 1112 CZ PHE A 75 2.698 8.299 -1.335 1.00 0.00 C ATOM 0 H PHE A 75 3.713 11.027 2.096 1.00 0.00 H new ATOM 0 HA PHE A 75 3.999 13.154 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.447 12.129 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.666 12.910 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.911 11.617 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.615 9.738 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.454 9.385 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.889 7.504 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.885 7.328 -1.769 1.00 0.00 H new ATOM 1122 N LYS A 76 4.005 13.718 3.095 1.00 0.00 N ATOM 1123 CA LYS A 76 3.908 14.651 4.208 1.00 0.00 C ATOM 1124 C LYS A 76 5.215 15.441 4.316 1.00 0.00 C ATOM 1125 O LYS A 76 6.044 15.179 5.189 1.00 0.00 O ATOM 1126 CB LYS A 76 3.614 13.862 5.494 1.00 0.00 C ATOM 1127 CG LYS A 76 2.126 13.562 5.744 1.00 0.00 C ATOM 1128 CD LYS A 76 1.347 13.078 4.512 1.00 0.00 C ATOM 1129 CE LYS A 76 0.097 12.279 4.912 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.256 10.850 4.593 1.00 0.00 N ATOM 0 H LYS A 76 4.634 12.937 3.284 1.00 0.00 H new ATOM 0 HA LYS A 76 3.097 15.361 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.159 12.919 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.005 14.422 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.049 12.805 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.648 14.464 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.053 13.935 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.994 12.457 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.088 12.398 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.774 12.676 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.503 10.306 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.205 10.717 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.178 10.517 4.940 1.00 0.00 H new ATOM 1144 N LYS A 77 5.431 16.373 3.392 1.00 0.00 N ATOM 1145 CA LYS A 77 6.451 17.384 3.388 1.00 0.00 C ATOM 1146 C LYS A 77 6.088 18.340 2.256 1.00 0.00 C ATOM 1147 O LYS A 77 6.736 19.402 2.158 1.00 0.00 O ATOM 1148 CB LYS A 77 7.847 16.794 3.226 1.00 0.00 C ATOM 1149 CG LYS A 77 8.112 15.993 1.944 1.00 0.00 C ATOM 1150 CD LYS A 77 7.733 14.509 2.019 1.00 0.00 C ATOM 1151 CE LYS A 77 8.588 13.709 3.018 1.00 0.00 C ATOM 1152 NZ LYS A 77 7.948 13.577 4.342 1.00 0.00 N ATOM 1153 OXT LYS A 77 5.162 17.960 1.500 1.00 0.00 O ATOM 0 H LYS A 77 4.840 16.434 2.563 1.00 0.00 H new ATOM 0 HA LYS A 77 6.487 17.908 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.569 17.610 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.043 16.145 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.559 16.453 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.171 16.070 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.683 14.424 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.834 14.065 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.779 12.716 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.555 14.198 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.640 13.214 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.605 14.507 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.147 12.917 4.276 1.00 0.00 H new