USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 690 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 Single : A 12 LYS NZ :NH3+ -142:sc= -2.92! (180deg=-5.66!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -49:sc= -3.02! USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 36 THR OG1 : rot 19:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 3:sc= -0.345 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.228 (180deg=-1.07) USER MOD Single : A 50 ASN : amide:sc= -5.04! C(o=-5!,f=-9.6!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 57 THR OG1 : rot -110:sc= 0.713 USER MOD Single : A 59 LYS NZ :NH3+ 128:sc= -0.0122 (180deg=-0.701) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 109:sc= 0.0651 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 131:sc= -4.91! (180deg=-6.32!) USER MOD Single : A 79 SER OG : rot -110:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00765 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -142:sc= -0.199 (180deg=-4.14!) USER MOD Single : A 86 LYS NZ :NH3+ 136:sc= -7.61! (180deg=-8.73!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -11.699 2.725 -5.793 1.00 1.58 N ATOM 47 CA GLU A 5 -12.687 1.637 -6.030 1.00 1.64 C ATOM 48 C GLU A 5 -12.527 0.582 -4.940 1.00 1.26 C ATOM 49 O GLU A 5 -13.480 -0.030 -4.513 1.00 1.71 O ATOM 50 CB GLU A 5 -12.453 1.013 -7.407 1.00 2.56 C ATOM 51 CG GLU A 5 -12.733 2.059 -8.485 1.00 3.25 C ATOM 52 CD GLU A 5 -12.573 1.428 -9.869 1.00 4.18 C ATOM 53 OE1 GLU A 5 -12.114 0.302 -9.934 1.00 4.72 O ATOM 54 OE2 GLU A 5 -12.916 2.082 -10.840 1.00 4.68 O ATOM 0 HA GLU A 5 -13.699 2.042 -6.001 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -11.427 0.655 -7.488 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -13.103 0.149 -7.544 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -13.742 2.454 -8.369 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -12.048 2.900 -8.376 1.00 3.25 H new ATOM 61 N VAL A 6 -11.282 0.375 -4.551 1.00 1.37 N ATOM 62 CA VAL A 6 -10.863 -0.641 -3.522 1.00 1.13 C ATOM 63 C VAL A 6 -10.082 -1.731 -4.268 1.00 0.99 C ATOM 64 O VAL A 6 -10.398 -2.051 -5.396 1.00 1.03 O ATOM 65 CB VAL A 6 -12.041 -1.277 -2.765 1.00 1.36 C ATOM 66 CG1 VAL A 6 -11.497 -2.278 -1.742 1.00 2.38 C ATOM 67 CG2 VAL A 6 -12.831 -0.195 -2.020 1.00 1.54 C ATOM 0 H VAL A 6 -10.496 0.903 -4.931 1.00 1.37 H new ATOM 0 HA VAL A 6 -10.263 -0.138 -2.763 1.00 1.13 H new ATOM 0 HB VAL A 6 -12.694 -1.779 -3.479 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -12.327 -2.733 -1.201 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -10.931 -3.054 -2.258 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -10.845 -1.761 -1.038 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -13.663 -0.654 -1.487 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -12.177 0.308 -1.308 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -13.215 0.532 -2.735 1.00 1.54 H new ATOM 77 N GLY A 7 -9.082 -2.318 -3.668 1.00 0.95 N ATOM 78 CA GLY A 7 -8.327 -3.390 -4.382 1.00 0.96 C ATOM 79 C GLY A 7 -7.167 -2.785 -5.181 1.00 0.91 C ATOM 80 O GLY A 7 -6.548 -3.445 -5.980 1.00 1.47 O ATOM 0 H GLY A 7 -8.757 -2.106 -2.725 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -7.943 -4.114 -3.663 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -8.996 -3.930 -5.052 1.00 0.96 H new ATOM 84 N ARG A 8 -6.885 -1.533 -4.995 1.00 0.62 N ATOM 85 CA ARG A 8 -5.775 -0.890 -5.758 1.00 0.60 C ATOM 86 C ARG A 8 -4.498 -0.822 -4.929 1.00 0.52 C ATOM 87 O ARG A 8 -4.471 -1.205 -3.775 1.00 0.57 O ATOM 88 CB ARG A 8 -6.167 0.513 -6.198 1.00 0.67 C ATOM 89 CG ARG A 8 -6.468 1.397 -4.995 1.00 1.19 C ATOM 90 CD ARG A 8 -7.017 2.733 -5.499 1.00 1.16 C ATOM 91 NE ARG A 8 -8.378 2.539 -6.097 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.539 2.463 -7.401 1.00 2.55 C ATOM 93 NH1 ARG A 8 -7.509 2.492 -8.206 1.00 2.63 N ATOM 94 NH2 ARG A 8 -9.736 2.329 -7.902 1.00 3.56 N ATOM 0 H ARG A 8 -7.375 -0.919 -4.345 1.00 0.62 H new ATOM 0 HA ARG A 8 -5.587 -1.505 -6.638 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.360 0.953 -6.785 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -7.042 0.464 -6.846 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -7.193 0.912 -4.341 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -5.564 1.557 -4.407 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -7.071 3.446 -4.676 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -6.341 3.155 -6.243 1.00 1.16 H new ATOM 0 HE ARG A 8 -9.190 2.465 -5.485 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -6.566 2.574 -7.825 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -7.648 2.432 -9.215 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -10.546 2.283 -7.283 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -9.862 2.270 -8.912 1.00 3.56 H new ATOM 108 N ILE A 9 -3.450 -0.285 -5.507 1.00 0.50 N ATOM 109 CA ILE A 9 -2.168 -0.124 -4.761 1.00 0.51 C ATOM 110 C ILE A 9 -2.065 1.349 -4.473 1.00 0.41 C ATOM 111 O ILE A 9 -2.482 2.174 -5.271 1.00 0.39 O ATOM 112 CB ILE A 9 -0.965 -0.595 -5.582 1.00 0.64 C ATOM 113 CG1 ILE A 9 -1.175 -2.061 -5.967 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.343 -0.450 -4.777 1.00 0.92 C ATOM 115 CD1 ILE A 9 -0.031 -2.521 -6.865 1.00 1.43 C ATOM 0 H ILE A 9 -3.431 0.050 -6.470 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.163 -0.729 -3.854 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.882 0.022 -6.477 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -1.220 -2.680 -5.071 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -2.127 -2.179 -6.484 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.183 -0.791 -5.383 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.491 0.596 -4.508 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.281 -1.052 -3.871 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -0.181 -3.565 -7.139 1.00 1.43 H new ATOM 0 HD12 ILE A 9 -0.008 -1.909 -7.767 1.00 1.43 H new ATOM 0 HD13 ILE A 9 0.914 -2.418 -6.332 1.00 1.43 H new ATOM 127 N CYS A 10 -1.644 1.694 -3.300 1.00 0.40 N ATOM 128 CA CYS A 10 -1.650 3.113 -2.887 1.00 0.35 C ATOM 129 C CYS A 10 -0.282 3.615 -2.456 1.00 0.35 C ATOM 130 O CYS A 10 0.588 2.868 -2.080 1.00 0.40 O ATOM 131 CB CYS A 10 -2.526 3.155 -1.639 1.00 0.36 C ATOM 132 SG CYS A 10 -2.122 1.710 -0.592 1.00 1.19 S ATOM 0 H CYS A 10 -1.290 1.043 -2.598 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.986 3.726 -3.724 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.356 4.080 -1.088 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.580 3.138 -1.916 1.00 0.36 H new ATOM 137 N VAL A 11 -0.127 4.902 -2.505 1.00 0.34 N ATOM 138 CA VAL A 11 1.140 5.554 -2.084 1.00 0.41 C ATOM 139 C VAL A 11 0.804 6.453 -0.892 1.00 0.41 C ATOM 140 O VAL A 11 -0.224 7.094 -0.895 1.00 0.39 O ATOM 141 CB VAL A 11 1.695 6.385 -3.244 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.054 6.960 -2.864 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.848 5.496 -4.479 1.00 0.95 C ATOM 0 H VAL A 11 -0.846 5.549 -2.829 1.00 0.34 H new ATOM 0 HA VAL A 11 1.895 4.819 -1.805 1.00 0.41 H new ATOM 0 HB VAL A 11 1.007 7.202 -3.462 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.444 7.550 -3.693 1.00 0.79 H new ATOM 0 HG12 VAL A 11 2.947 7.595 -1.985 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.744 6.146 -2.642 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.243 6.086 -5.306 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.534 4.679 -4.256 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.876 5.088 -4.756 1.00 0.95 H new ATOM 153 N LYS A 12 1.583 6.500 0.164 1.00 0.50 N ATOM 154 CA LYS A 12 1.199 7.347 1.334 1.00 0.58 C ATOM 155 C LYS A 12 1.766 8.754 1.166 1.00 0.66 C ATOM 156 O LYS A 12 2.833 8.915 0.614 1.00 0.86 O ATOM 157 CB LYS A 12 1.881 6.713 2.560 1.00 0.77 C ATOM 158 CG LYS A 12 1.466 5.240 2.730 1.00 1.44 C ATOM 159 CD LYS A 12 -0.036 5.118 3.013 1.00 1.81 C ATOM 160 CE LYS A 12 -0.360 3.672 3.393 1.00 2.64 C ATOM 161 NZ LYS A 12 -0.435 3.553 4.876 1.00 3.12 N ATOM 0 H LYS A 12 2.462 5.991 0.264 1.00 0.50 H new ATOM 0 HA LYS A 12 0.115 7.404 1.432 1.00 0.58 H new ATOM 0 HB2 LYS A 12 2.964 6.778 2.451 1.00 0.77 H new ATOM 0 HB3 LYS A 12 1.617 7.274 3.457 1.00 0.77 H new ATOM 0 HG2 LYS A 12 1.715 4.682 1.827 1.00 1.44 H new ATOM 0 HG3 LYS A 12 2.031 4.792 3.548 1.00 1.44 H new ATOM 0 HD2 LYS A 12 -0.322 5.792 3.821 1.00 1.81 H new ATOM 0 HD3 LYS A 12 -0.609 5.413 2.134 1.00 1.81 H new ATOM 0 HE2 LYS A 12 -1.307 3.370 2.945 1.00 2.64 H new ATOM 0 HE3 LYS A 12 0.405 3.002 3.002 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 -0.022 2.646 5.173 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 0.094 4.334 5.314 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 -1.429 3.596 5.178 1.00 3.12 H new ATOM 175 N VAL A 13 1.066 9.782 1.624 1.00 0.63 N ATOM 176 CA VAL A 13 1.628 11.156 1.450 1.00 0.80 C ATOM 177 C VAL A 13 1.663 11.956 2.770 1.00 0.93 C ATOM 178 O VAL A 13 0.807 12.757 3.080 1.00 0.88 O ATOM 179 CB VAL A 13 0.750 11.890 0.424 1.00 0.82 C ATOM 180 CG1 VAL A 13 -0.616 12.194 1.031 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.429 13.195 0.004 1.00 1.27 C ATOM 0 H VAL A 13 0.162 9.725 2.093 1.00 0.63 H new ATOM 0 HA VAL A 13 2.660 11.071 1.111 1.00 0.80 H new ATOM 0 HB VAL A 13 0.618 11.254 -0.451 1.00 0.82 H new ATOM 0 HG11 VAL A 13 -1.232 12.714 0.298 1.00 1.69 H new ATOM 0 HG12 VAL A 13 -1.102 11.262 1.318 1.00 1.69 H new ATOM 0 HG13 VAL A 13 -0.491 12.824 1.912 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.804 13.713 -0.723 1.00 1.27 H new ATOM 0 HG22 VAL A 13 1.570 13.830 0.879 1.00 1.27 H new ATOM 0 HG23 VAL A 13 2.398 12.973 -0.443 1.00 1.27 H new ATOM 191 N LYS A 14 2.720 11.787 3.505 1.00 1.19 N ATOM 192 CA LYS A 14 2.932 12.560 4.762 1.00 1.42 C ATOM 193 C LYS A 14 4.410 12.933 4.770 1.00 1.67 C ATOM 194 O LYS A 14 5.222 12.182 4.268 1.00 1.73 O ATOM 195 CB LYS A 14 2.562 11.744 6.008 1.00 1.43 C ATOM 196 CG LYS A 14 2.617 12.651 7.240 1.00 1.52 C ATOM 197 CD LYS A 14 2.310 11.831 8.495 1.00 1.56 C ATOM 198 CE LYS A 14 2.209 12.763 9.703 1.00 2.28 C ATOM 199 NZ LYS A 14 2.324 11.967 10.958 1.00 2.43 N ATOM 0 H LYS A 14 3.467 11.129 3.284 1.00 1.19 H new ATOM 0 HA LYS A 14 2.291 13.441 4.790 1.00 1.42 H new ATOM 0 HB2 LYS A 14 1.563 11.322 5.897 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.250 10.907 6.127 1.00 1.43 H new ATOM 0 HG2 LYS A 14 3.603 13.108 7.324 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.897 13.463 7.139 1.00 1.52 H new ATOM 0 HD2 LYS A 14 1.376 11.284 8.365 1.00 1.56 H new ATOM 0 HD3 LYS A 14 3.093 11.090 8.659 1.00 1.56 H new ATOM 0 HE2 LYS A 14 2.998 13.514 9.663 1.00 2.28 H new ATOM 0 HE3 LYS A 14 1.259 13.297 9.685 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 2.255 12.602 11.779 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 1.556 11.267 10.996 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 3.241 11.477 10.975 1.00 2.43 H new ATOM 213 N GLY A 15 4.802 14.076 5.247 1.00 1.91 N ATOM 214 CA GLY A 15 6.250 14.408 5.152 1.00 2.20 C ATOM 215 C GLY A 15 6.997 13.749 6.307 1.00 2.22 C ATOM 216 O GLY A 15 6.427 13.017 7.091 1.00 2.26 O ATOM 0 H GLY A 15 4.206 14.778 5.686 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.652 14.062 4.200 1.00 2.20 H new ATOM 0 HA3 GLY A 15 6.390 15.489 5.183 1.00 2.20 H new ATOM 220 N ARG A 16 8.285 13.934 6.370 1.00 2.31 N ATOM 221 CA ARG A 16 9.082 13.241 7.417 1.00 2.37 C ATOM 222 C ARG A 16 8.770 11.741 7.328 1.00 2.28 C ATOM 223 O ARG A 16 7.842 11.250 7.935 1.00 2.27 O ATOM 224 CB ARG A 16 8.699 13.766 8.804 1.00 2.49 C ATOM 225 CG ARG A 16 9.631 13.149 9.851 1.00 2.87 C ATOM 226 CD ARG A 16 9.288 13.700 11.236 1.00 3.02 C ATOM 227 NE ARG A 16 7.962 13.174 11.668 1.00 3.63 N ATOM 228 CZ ARG A 16 7.672 13.085 12.939 1.00 4.15 C ATOM 229 NH1 ARG A 16 8.537 13.472 13.837 1.00 4.18 N ATOM 230 NH2 ARG A 16 6.515 12.613 13.312 1.00 4.93 N ATOM 0 H ARG A 16 8.819 14.535 5.742 1.00 2.31 H new ATOM 0 HA ARG A 16 10.146 13.422 7.263 1.00 2.37 H new ATOM 0 HB2 ARG A 16 8.774 14.853 8.828 1.00 2.49 H new ATOM 0 HB3 ARG A 16 7.663 13.513 9.028 1.00 2.49 H new ATOM 0 HG2 ARG A 16 9.531 12.064 9.846 1.00 2.87 H new ATOM 0 HG3 ARG A 16 10.669 13.375 9.606 1.00 2.87 H new ATOM 0 HD2 ARG A 16 10.056 13.412 11.954 1.00 3.02 H new ATOM 0 HD3 ARG A 16 9.268 14.790 11.210 1.00 3.02 H new ATOM 0 HE ARG A 16 7.279 12.883 10.969 1.00 3.63 H new ATOM 0 HH11 ARG A 16 9.441 13.845 13.547 1.00 4.18 H new ATOM 0 HH12 ARG A 16 8.309 13.402 14.829 1.00 4.18 H new ATOM 0 HH21 ARG A 16 5.837 12.313 12.612 1.00 4.93 H new ATOM 0 HH22 ARG A 16 6.288 12.543 14.304 1.00 4.93 H new ATOM 244 N GLU A 17 9.556 11.025 6.557 1.00 2.28 N ATOM 245 CA GLU A 17 9.356 9.551 6.372 1.00 2.23 C ATOM 246 C GLU A 17 7.875 9.222 6.135 1.00 1.93 C ATOM 247 O GLU A 17 7.074 9.260 7.044 1.00 2.50 O ATOM 248 CB GLU A 17 9.848 8.819 7.623 1.00 2.57 C ATOM 249 CG GLU A 17 9.796 7.304 7.396 1.00 2.68 C ATOM 250 CD GLU A 17 10.194 6.582 8.683 1.00 2.78 C ATOM 251 OE1 GLU A 17 10.458 7.260 9.663 1.00 3.04 O ATOM 252 OE2 GLU A 17 10.231 5.361 8.668 1.00 3.13 O ATOM 0 H GLU A 17 10.345 11.410 6.037 1.00 2.28 H new ATOM 0 HA GLU A 17 9.922 9.228 5.498 1.00 2.23 H new ATOM 0 HB2 GLU A 17 10.868 9.126 7.857 1.00 2.57 H new ATOM 0 HB3 GLU A 17 9.230 9.089 8.479 1.00 2.57 H new ATOM 0 HG2 GLU A 17 8.792 7.005 7.094 1.00 2.68 H new ATOM 0 HG3 GLU A 17 10.469 7.024 6.586 1.00 2.68 H new ATOM 259 N ALA A 18 7.532 8.853 4.914 1.00 1.46 N ATOM 260 CA ALA A 18 6.115 8.471 4.582 1.00 1.34 C ATOM 261 C ALA A 18 5.818 8.665 3.093 1.00 1.18 C ATOM 262 O ALA A 18 4.929 9.408 2.725 1.00 1.77 O ATOM 263 CB ALA A 18 5.122 9.296 5.398 1.00 1.78 C ATOM 0 H ALA A 18 8.181 8.801 4.129 1.00 1.46 H new ATOM 0 HA ALA A 18 6.003 7.416 4.832 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.105 9.001 5.140 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.291 9.122 6.461 1.00 1.78 H new ATOM 0 HB3 ALA A 18 5.260 10.354 5.177 1.00 1.78 H new ATOM 269 N GLY A 19 6.484 7.958 2.222 1.00 1.06 N ATOM 270 CA GLY A 19 6.114 8.081 0.791 1.00 1.02 C ATOM 271 C GLY A 19 6.464 6.787 0.076 1.00 0.78 C ATOM 272 O GLY A 19 7.488 6.676 -0.565 1.00 0.90 O ATOM 0 H GLY A 19 7.249 7.317 2.434 1.00 1.06 H new ATOM 0 HA2 GLY A 19 5.048 8.288 0.694 1.00 1.02 H new ATOM 0 HA3 GLY A 19 6.644 8.918 0.336 1.00 1.02 H new ATOM 276 N SER A 20 5.654 5.774 0.266 1.00 0.62 N ATOM 277 CA SER A 20 5.969 4.444 -0.329 1.00 0.54 C ATOM 278 C SER A 20 4.689 3.771 -0.809 1.00 0.48 C ATOM 279 O SER A 20 3.603 4.217 -0.506 1.00 0.53 O ATOM 280 CB SER A 20 6.647 3.582 0.726 1.00 0.71 C ATOM 281 OG SER A 20 5.705 3.243 1.733 1.00 1.36 O ATOM 0 H SER A 20 4.790 5.813 0.807 1.00 0.62 H new ATOM 0 HA SER A 20 6.634 4.571 -1.183 1.00 0.54 H new ATOM 0 HB2 SER A 20 7.049 2.678 0.269 1.00 0.71 H new ATOM 0 HB3 SER A 20 7.488 4.119 1.165 1.00 0.71 H new ATOM 0 HG SER A 20 5.236 4.052 2.028 1.00 1.36 H new ATOM 287 N LYS A 21 4.808 2.718 -1.586 1.00 0.45 N ATOM 288 CA LYS A 21 3.584 2.058 -2.124 1.00 0.44 C ATOM 289 C LYS A 21 3.042 1.024 -1.155 1.00 0.39 C ATOM 290 O LYS A 21 3.748 0.425 -0.369 1.00 0.39 O ATOM 291 CB LYS A 21 3.850 1.383 -3.473 1.00 0.51 C ATOM 292 CG LYS A 21 4.162 2.444 -4.522 1.00 1.45 C ATOM 293 CD LYS A 21 4.307 1.787 -5.894 1.00 1.74 C ATOM 294 CE LYS A 21 4.729 2.836 -6.924 1.00 2.27 C ATOM 295 NZ LYS A 21 3.558 3.687 -7.275 1.00 3.16 N ATOM 0 H LYS A 21 5.693 2.294 -1.866 1.00 0.45 H new ATOM 0 HA LYS A 21 2.844 2.847 -2.262 1.00 0.44 H new ATOM 0 HB2 LYS A 21 4.685 0.688 -3.385 1.00 0.51 H new ATOM 0 HB3 LYS A 21 2.980 0.800 -3.778 1.00 0.51 H new ATOM 0 HG2 LYS A 21 3.367 3.189 -4.547 1.00 1.45 H new ATOM 0 HG3 LYS A 21 5.081 2.968 -4.260 1.00 1.45 H new ATOM 0 HD2 LYS A 21 5.047 0.988 -5.849 1.00 1.74 H new ATOM 0 HD3 LYS A 21 3.363 1.330 -6.191 1.00 1.74 H new ATOM 0 HE2 LYS A 21 5.533 3.453 -6.522 1.00 2.27 H new ATOM 0 HE3 LYS A 21 5.118 2.348 -7.818 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 3.817 4.333 -8.048 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 2.768 3.083 -7.579 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 3.269 4.241 -6.443 1.00 3.16 H new ATOM 309 N CYS A 22 1.761 0.819 -1.244 1.00 0.39 N ATOM 310 CA CYS A 22 1.074 -0.167 -0.383 1.00 0.38 C ATOM 311 C CYS A 22 -0.002 -0.893 -1.177 1.00 0.36 C ATOM 312 O CYS A 22 -0.506 -0.379 -2.157 1.00 0.39 O ATOM 313 CB CYS A 22 0.403 0.550 0.791 1.00 0.46 C ATOM 314 SG CYS A 22 -0.326 2.137 0.254 1.00 0.78 S ATOM 0 H CYS A 22 1.149 1.309 -1.896 1.00 0.39 H new ATOM 0 HA CYS A 22 1.812 -0.881 -0.017 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.373 -0.086 1.215 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.134 0.729 1.579 1.00 0.46 H new ATOM 319 N VAL A 23 -0.425 -2.037 -0.706 1.00 0.34 N ATOM 320 CA VAL A 23 -1.556 -2.739 -1.387 1.00 0.35 C ATOM 321 C VAL A 23 -2.737 -2.670 -0.407 1.00 0.37 C ATOM 322 O VAL A 23 -2.574 -2.911 0.774 1.00 0.39 O ATOM 323 CB VAL A 23 -1.163 -4.204 -1.662 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.257 -4.916 -2.475 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.147 -4.233 -2.454 1.00 0.41 C ATOM 0 H VAL A 23 -0.042 -2.512 0.111 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.810 -2.283 -2.344 1.00 0.35 H new ATOM 0 HB VAL A 23 -1.041 -4.719 -0.709 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.960 -5.949 -2.658 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.193 -4.901 -1.917 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.394 -4.403 -3.427 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.430 -5.267 -2.651 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.013 -3.707 -3.399 1.00 0.41 H new ATOM 0 HG23 VAL A 23 0.932 -3.746 -1.876 1.00 0.41 H new ATOM 335 N ILE A 24 -3.895 -2.235 -0.849 1.00 0.37 N ATOM 336 CA ILE A 24 -5.018 -2.039 0.127 1.00 0.41 C ATOM 337 C ILE A 24 -5.910 -3.270 0.236 1.00 0.41 C ATOM 338 O ILE A 24 -6.361 -3.816 -0.750 1.00 0.41 O ATOM 339 CB ILE A 24 -5.890 -0.878 -0.361 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.025 0.371 -0.526 1.00 0.45 C ATOM 341 CG2 ILE A 24 -6.997 -0.609 0.663 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.853 1.502 -1.141 1.00 0.51 C ATOM 0 H ILE A 24 -4.109 -2.011 -1.821 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.576 -1.843 1.104 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.340 -1.134 -1.320 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.632 0.682 0.442 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.168 0.149 -1.162 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.619 0.217 0.318 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.611 -1.502 0.778 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.550 -0.350 1.623 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.229 2.389 -1.255 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.225 1.191 -2.117 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.695 1.732 -0.489 1.00 0.51 H new ATOM 354 N VAL A 25 -6.233 -3.657 1.457 1.00 0.44 N ATOM 355 CA VAL A 25 -7.179 -4.798 1.606 1.00 0.45 C ATOM 356 C VAL A 25 -8.054 -4.696 2.878 1.00 0.65 C ATOM 357 O VAL A 25 -7.895 -5.463 3.800 1.00 1.30 O ATOM 358 CB VAL A 25 -6.337 -6.089 1.693 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.685 -7.004 0.539 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.837 -5.772 1.644 1.00 0.68 C ATOM 0 H VAL A 25 -5.891 -3.242 2.324 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.855 -4.793 0.751 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.563 -6.577 2.641 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -6.089 -7.914 0.604 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -7.744 -7.260 0.584 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -6.474 -6.498 -0.403 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -4.267 -6.699 1.707 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.603 -5.265 0.708 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.574 -5.127 2.482 1.00 0.68 H new ATOM 370 N ASP A 26 -9.076 -3.872 2.869 1.00 0.41 N ATOM 371 CA ASP A 26 -10.067 -3.856 4.003 1.00 0.53 C ATOM 372 C ASP A 26 -10.978 -2.651 3.880 1.00 0.43 C ATOM 373 O ASP A 26 -10.513 -1.562 3.560 1.00 0.45 O ATOM 374 CB ASP A 26 -9.444 -3.771 5.384 1.00 0.76 C ATOM 375 CG ASP A 26 -10.522 -4.028 6.440 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.632 -4.359 6.058 1.00 1.56 O ATOM 377 OD2 ASP A 26 -10.216 -3.899 7.613 1.00 1.48 O ATOM 0 H ASP A 26 -9.270 -3.205 2.122 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.595 -4.806 3.917 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -8.642 -4.503 5.480 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -8.998 -2.788 5.535 1.00 0.76 H new ATOM 382 N ILE A 27 -12.193 -2.788 4.327 1.00 0.57 N ATOM 383 CA ILE A 27 -13.106 -1.620 4.431 1.00 0.65 C ATOM 384 C ILE A 27 -13.541 -1.622 5.899 1.00 0.63 C ATOM 385 O ILE A 27 -13.853 -2.670 6.429 1.00 0.79 O ATOM 386 CB ILE A 27 -14.322 -1.807 3.520 1.00 0.94 C ATOM 387 CG1 ILE A 27 -15.250 -0.597 3.661 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.074 -3.075 3.927 1.00 1.36 C ATOM 389 CD1 ILE A 27 -16.254 -0.586 2.507 1.00 1.80 C ATOM 0 H ILE A 27 -12.598 -3.674 4.629 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.630 -0.687 4.130 1.00 0.65 H new ATOM 0 HB ILE A 27 -13.993 -1.897 2.485 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -15.776 -0.638 4.615 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -14.667 0.324 3.658 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -15.940 -3.208 3.279 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -14.413 -3.936 3.832 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -15.406 -2.985 4.961 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -16.914 0.275 2.608 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.719 -0.524 1.560 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -16.845 -1.501 2.530 1.00 1.80 H new ATOM 401 N ILE A 28 -13.524 -0.513 6.591 1.00 0.57 N ATOM 402 CA ILE A 28 -13.888 -0.543 8.031 1.00 0.58 C ATOM 403 C ILE A 28 -15.283 0.034 8.239 1.00 0.66 C ATOM 404 O ILE A 28 -16.255 -0.411 7.662 1.00 0.71 O ATOM 405 CB ILE A 28 -12.897 0.343 8.768 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.452 -0.057 8.439 1.00 0.68 C ATOM 407 CG2 ILE A 28 -13.105 0.247 10.278 1.00 0.61 C ATOM 408 CD1 ILE A 28 -11.274 -1.571 8.563 1.00 0.77 C ATOM 0 H ILE A 28 -13.275 0.404 6.221 1.00 0.57 H new ATOM 0 HA ILE A 28 -13.869 -1.570 8.395 1.00 0.58 H new ATOM 0 HB ILE A 28 -13.070 1.368 8.441 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.201 0.263 7.428 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -10.765 0.452 9.114 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.385 0.889 10.786 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -14.117 0.568 10.527 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -12.962 -0.784 10.600 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -10.244 -1.837 8.326 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -11.504 -1.882 9.582 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -11.947 -2.075 7.869 1.00 0.77 H new ATOM 420 N ASP A 29 -15.367 1.055 9.049 1.00 1.01 N ATOM 421 CA ASP A 29 -16.675 1.715 9.292 1.00 1.18 C ATOM 422 C ASP A 29 -17.211 2.287 7.990 1.00 1.33 C ATOM 423 O ASP A 29 -18.371 2.165 7.700 1.00 2.10 O ATOM 424 CB ASP A 29 -16.482 2.855 10.284 1.00 1.03 C ATOM 425 CG ASP A 29 -16.115 2.292 11.658 1.00 1.72 C ATOM 426 OD1 ASP A 29 -16.245 1.092 11.838 1.00 2.40 O ATOM 427 OD2 ASP A 29 -15.713 3.069 12.506 1.00 2.26 O ATOM 0 H ASP A 29 -14.579 1.460 9.554 1.00 1.01 H new ATOM 0 HA ASP A 29 -17.379 0.984 9.689 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.696 3.524 9.934 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -17.395 3.445 10.355 1.00 1.03 H new ATOM 432 N ASP A 30 -16.325 2.880 7.218 1.00 1.29 N ATOM 433 CA ASP A 30 -16.635 3.495 5.874 1.00 1.39 C ATOM 434 C ASP A 30 -15.422 4.307 5.382 1.00 1.13 C ATOM 435 O ASP A 30 -14.923 4.095 4.295 1.00 1.20 O ATOM 436 CB ASP A 30 -17.848 4.443 5.909 1.00 1.64 C ATOM 437 CG ASP A 30 -19.175 3.678 5.952 1.00 1.90 C ATOM 438 OD1 ASP A 30 -19.173 2.505 5.612 1.00 2.55 O ATOM 439 OD2 ASP A 30 -20.179 4.295 6.262 1.00 2.09 O ATOM 0 H ASP A 30 -15.343 2.968 7.480 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.866 2.666 5.205 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.776 5.092 6.782 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.830 5.087 5.030 1.00 1.64 H new ATOM 444 N ASN A 31 -14.993 5.291 6.147 1.00 0.91 N ATOM 445 CA ASN A 31 -13.875 6.173 5.689 1.00 0.77 C ATOM 446 C ASN A 31 -12.486 5.640 6.077 1.00 0.58 C ATOM 447 O ASN A 31 -11.491 6.298 5.834 1.00 0.53 O ATOM 448 CB ASN A 31 -14.071 7.553 6.324 1.00 0.86 C ATOM 449 CG ASN A 31 -15.388 8.159 5.832 1.00 1.29 C ATOM 450 OD1 ASN A 31 -15.934 7.728 4.836 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.924 9.149 6.494 1.00 1.60 N ATOM 0 H ASN A 31 -15.372 5.517 7.067 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.906 6.213 4.600 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -14.081 7.467 7.411 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.238 8.206 6.064 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.801 9.560 6.175 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.466 9.511 7.330 1.00 1.60 H new ATOM 458 N PHE A 32 -12.397 4.481 6.673 1.00 0.56 N ATOM 459 CA PHE A 32 -11.054 3.942 7.069 1.00 0.45 C ATOM 460 C PHE A 32 -10.745 2.729 6.178 1.00 0.45 C ATOM 461 O PHE A 32 -11.629 1.963 5.845 1.00 0.52 O ATOM 462 CB PHE A 32 -11.108 3.497 8.533 1.00 0.48 C ATOM 463 CG PHE A 32 -11.453 4.653 9.439 1.00 0.54 C ATOM 464 CD1 PHE A 32 -10.449 5.450 9.980 1.00 1.09 C ATOM 465 CD2 PHE A 32 -12.794 4.913 9.745 1.00 1.52 C ATOM 466 CE1 PHE A 32 -10.781 6.515 10.834 1.00 1.13 C ATOM 467 CE2 PHE A 32 -13.129 5.974 10.592 1.00 1.60 C ATOM 468 CZ PHE A 32 -12.122 6.774 11.138 1.00 0.80 C ATOM 0 H PHE A 32 -13.190 3.883 6.904 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.283 4.704 6.950 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.849 2.706 8.649 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.145 3.077 8.825 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -9.414 5.250 9.743 1.00 1.09 H new ATOM 0 HD2 PHE A 32 -13.572 4.292 9.326 1.00 1.52 H new ATOM 0 HE1 PHE A 32 -10.002 7.133 11.255 1.00 1.13 H new ATOM 0 HE2 PHE A 32 -14.165 6.175 10.824 1.00 1.60 H new ATOM 0 HZ PHE A 32 -12.379 7.592 11.795 1.00 0.80 H new ATOM 478 N VAL A 33 -9.502 2.535 5.808 1.00 0.40 N ATOM 479 CA VAL A 33 -9.130 1.351 4.957 1.00 0.42 C ATOM 480 C VAL A 33 -7.920 0.648 5.586 1.00 0.39 C ATOM 481 O VAL A 33 -7.188 1.270 6.325 1.00 0.36 O ATOM 482 CB VAL A 33 -8.794 1.804 3.538 1.00 0.44 C ATOM 483 CG1 VAL A 33 -9.970 2.599 2.966 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.537 2.676 3.558 1.00 0.42 C ATOM 0 H VAL A 33 -8.724 3.145 6.058 1.00 0.40 H new ATOM 0 HA VAL A 33 -9.971 0.660 4.906 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.610 0.931 2.912 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.732 2.923 1.953 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -10.859 1.969 2.946 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.158 3.472 3.591 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.301 2.997 2.544 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.711 3.551 4.184 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.702 2.102 3.961 1.00 0.42 H new ATOM 494 N LEU A 34 -7.651 -0.606 5.242 1.00 0.43 N ATOM 495 CA LEU A 34 -6.394 -1.266 5.802 1.00 0.44 C ATOM 496 C LEU A 34 -5.356 -1.378 4.691 1.00 0.43 C ATOM 497 O LEU A 34 -5.666 -1.833 3.607 1.00 0.47 O ATOM 498 CB LEU A 34 -6.659 -2.677 6.350 1.00 0.55 C ATOM 499 CG LEU A 34 -5.450 -3.194 7.156 1.00 0.62 C ATOM 500 CD1 LEU A 34 -5.956 -4.201 8.188 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.419 -3.897 6.250 1.00 0.73 C ATOM 0 H LEU A 34 -8.219 -1.185 4.623 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.043 -0.643 6.625 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.545 -2.664 6.985 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -6.868 -3.358 5.525 1.00 0.55 H new ATOM 0 HG LEU A 34 -4.962 -2.343 7.631 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -5.115 -4.579 8.770 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -6.668 -3.713 8.854 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.446 -5.030 7.678 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -3.582 -4.247 6.855 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -4.889 -4.746 5.755 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -4.056 -3.195 5.499 1.00 0.73 H new ATOM 513 N VAL A 35 -4.128 -0.986 4.940 1.00 0.42 N ATOM 514 CA VAL A 35 -3.090 -1.103 3.871 1.00 0.43 C ATOM 515 C VAL A 35 -1.856 -1.836 4.420 1.00 0.44 C ATOM 516 O VAL A 35 -1.535 -1.726 5.587 1.00 0.46 O ATOM 517 CB VAL A 35 -2.699 0.309 3.423 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.957 1.097 3.064 1.00 0.46 C ATOM 519 CG2 VAL A 35 -1.944 1.036 4.539 1.00 0.52 C ATOM 0 H VAL A 35 -3.805 -0.596 5.825 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.484 -1.669 3.027 1.00 0.43 H new ATOM 0 HB VAL A 35 -2.049 0.232 2.551 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.679 2.102 2.745 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.484 0.592 2.254 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.608 1.160 3.936 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.674 2.037 4.203 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.580 1.108 5.421 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.040 0.481 4.788 1.00 0.52 H new ATOM 529 N THR A 36 -1.122 -2.535 3.577 1.00 0.45 N ATOM 530 CA THR A 36 0.128 -3.197 4.078 1.00 0.48 C ATOM 531 C THR A 36 1.220 -3.204 2.996 1.00 0.48 C ATOM 532 O THR A 36 0.938 -3.264 1.816 1.00 0.48 O ATOM 533 CB THR A 36 -0.187 -4.640 4.479 1.00 0.56 C ATOM 534 OG1 THR A 36 0.872 -5.147 5.281 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.335 -5.502 3.225 1.00 0.60 C ATOM 0 H THR A 36 -1.329 -2.672 2.588 1.00 0.45 H new ATOM 0 HA THR A 36 0.492 -2.636 4.938 1.00 0.48 H new ATOM 0 HB THR A 36 -1.119 -4.665 5.044 1.00 0.56 H new ATOM 0 HG1 THR A 36 1.398 -4.401 5.639 1.00 0.63 H new ATOM 0 HG21 THR A 36 -0.559 -6.529 3.514 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.146 -5.113 2.610 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.595 -5.480 2.656 1.00 0.60 H new ATOM 543 N GLY A 37 2.470 -3.188 3.396 1.00 0.52 N ATOM 544 CA GLY A 37 3.592 -3.245 2.411 1.00 0.55 C ATOM 545 C GLY A 37 4.846 -3.705 3.155 1.00 0.70 C ATOM 546 O GLY A 37 4.891 -3.653 4.365 1.00 0.84 O ATOM 0 H GLY A 37 2.761 -3.137 4.372 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.354 -3.935 1.601 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.754 -2.266 1.959 1.00 0.55 H new ATOM 550 N PRO A 38 5.873 -4.121 2.469 1.00 0.74 N ATOM 551 CA PRO A 38 7.127 -4.526 3.150 1.00 0.93 C ATOM 552 C PRO A 38 7.810 -3.296 3.759 1.00 0.99 C ATOM 553 O PRO A 38 8.452 -2.532 3.070 1.00 0.94 O ATOM 554 CB PRO A 38 7.985 -5.127 2.033 1.00 0.94 C ATOM 555 CG PRO A 38 7.435 -4.568 0.764 1.00 0.82 C ATOM 556 CD PRO A 38 5.958 -4.257 1.014 1.00 0.69 C ATOM 0 HA PRO A 38 6.962 -5.230 3.966 1.00 0.93 H new ATOM 0 HB2 PRO A 38 9.034 -4.860 2.157 1.00 0.94 H new ATOM 0 HB3 PRO A 38 7.930 -6.216 2.039 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.975 -3.667 0.474 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.546 -5.282 -0.052 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.650 -3.342 0.508 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.313 -5.056 0.648 1.00 0.69 H new ATOM 564 N LYS A 39 7.680 -3.095 5.038 1.00 1.20 N ATOM 565 CA LYS A 39 8.315 -1.903 5.667 1.00 1.37 C ATOM 566 C LYS A 39 9.803 -1.904 5.347 1.00 1.39 C ATOM 567 O LYS A 39 10.427 -0.881 5.166 1.00 1.45 O ATOM 568 CB LYS A 39 8.157 -1.986 7.193 1.00 1.66 C ATOM 569 CG LYS A 39 8.718 -0.714 7.846 1.00 2.17 C ATOM 570 CD LYS A 39 8.637 -0.829 9.370 1.00 2.45 C ATOM 571 CE LYS A 39 9.058 0.499 10.002 1.00 3.15 C ATOM 572 NZ LYS A 39 9.960 0.236 11.159 1.00 3.44 N ATOM 0 H LYS A 39 7.164 -3.701 5.675 1.00 1.20 H new ATOM 0 HA LYS A 39 7.841 -0.999 5.285 1.00 1.37 H new ATOM 0 HB2 LYS A 39 7.105 -2.105 7.453 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.681 -2.863 7.575 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.753 -0.564 7.539 1.00 2.17 H new ATOM 0 HG3 LYS A 39 8.156 0.157 7.508 1.00 2.17 H new ATOM 0 HD2 LYS A 39 7.621 -1.083 9.673 1.00 2.45 H new ATOM 0 HD3 LYS A 39 9.285 -1.633 9.720 1.00 2.45 H new ATOM 0 HE2 LYS A 39 9.567 1.120 9.264 1.00 3.15 H new ATOM 0 HE3 LYS A 39 8.178 1.052 10.332 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 10.246 1.139 11.588 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 9.459 -0.340 11.865 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 10.805 -0.275 10.832 1.00 3.44 H new ATOM 586 N ASP A 40 10.375 -3.055 5.361 1.00 1.42 N ATOM 587 CA ASP A 40 11.836 -3.171 5.152 1.00 1.48 C ATOM 588 C ASP A 40 12.247 -2.516 3.841 1.00 1.35 C ATOM 589 O ASP A 40 13.291 -1.899 3.771 1.00 1.42 O ATOM 590 CB ASP A 40 12.227 -4.649 5.124 1.00 1.59 C ATOM 591 CG ASP A 40 12.022 -5.258 6.512 1.00 1.79 C ATOM 592 OD1 ASP A 40 11.820 -4.499 7.445 1.00 2.27 O ATOM 593 OD2 ASP A 40 12.072 -6.472 6.619 1.00 2.01 O ATOM 0 H ASP A 40 9.890 -3.940 5.510 1.00 1.42 H new ATOM 0 HA ASP A 40 12.347 -2.664 5.970 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.624 -5.182 4.389 1.00 1.59 H new ATOM 0 HB3 ASP A 40 13.268 -4.755 4.819 1.00 1.59 H new ATOM 598 N ILE A 41 11.445 -2.611 2.812 1.00 1.20 N ATOM 599 CA ILE A 41 11.828 -1.949 1.531 1.00 1.13 C ATOM 600 C ILE A 41 10.921 -0.746 1.238 1.00 1.03 C ATOM 601 O ILE A 41 11.374 0.299 0.815 1.00 1.27 O ATOM 602 CB ILE A 41 11.661 -2.941 0.395 1.00 1.10 C ATOM 603 CG1 ILE A 41 12.426 -4.244 0.673 1.00 1.29 C ATOM 604 CG2 ILE A 41 12.192 -2.306 -0.883 1.00 1.11 C ATOM 605 CD1 ILE A 41 13.857 -3.944 1.126 1.00 2.05 C ATOM 0 H ILE A 41 10.555 -3.110 2.802 1.00 1.20 H new ATOM 0 HA ILE A 41 12.861 -1.611 1.618 1.00 1.13 H new ATOM 0 HB ILE A 41 10.604 -3.187 0.295 1.00 1.10 H new ATOM 0 HG12 ILE A 41 11.909 -4.819 1.441 1.00 1.29 H new ATOM 0 HG13 ILE A 41 12.445 -4.859 -0.226 1.00 1.29 H new ATOM 0 HG21 ILE A 41 12.080 -3.006 -1.711 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.631 -1.397 -1.098 1.00 1.11 H new ATOM 0 HG23 ILE A 41 13.246 -2.060 -0.756 1.00 1.11 H new ATOM 0 HD11 ILE A 41 14.382 -4.880 1.318 1.00 2.05 H new ATOM 0 HD12 ILE A 41 14.377 -3.390 0.345 1.00 2.05 H new ATOM 0 HD13 ILE A 41 13.832 -3.348 2.039 1.00 2.05 H new ATOM 617 N THR A 42 9.646 -0.879 1.489 1.00 0.78 N ATOM 618 CA THR A 42 8.709 0.264 1.258 1.00 0.75 C ATOM 619 C THR A 42 8.656 1.219 2.448 1.00 0.90 C ATOM 620 O THR A 42 8.447 2.402 2.302 1.00 1.07 O ATOM 621 CB THR A 42 7.314 -0.282 0.969 1.00 0.56 C ATOM 622 OG1 THR A 42 6.935 -1.210 1.969 1.00 1.03 O ATOM 623 CG2 THR A 42 7.268 -0.903 -0.426 1.00 1.10 C ATOM 0 H THR A 42 9.210 -1.730 1.845 1.00 0.78 H new ATOM 0 HA THR A 42 9.079 0.833 0.405 1.00 0.75 H new ATOM 0 HB THR A 42 6.596 0.538 0.989 1.00 0.56 H new ATOM 0 HG1 THR A 42 7.638 -1.262 2.650 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.267 -1.289 -0.620 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.515 -0.146 -1.170 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.989 -1.718 -0.485 1.00 1.10 H new ATOM 631 N GLY A 43 8.840 0.707 3.615 1.00 0.93 N ATOM 632 CA GLY A 43 8.795 1.571 4.834 1.00 1.12 C ATOM 633 C GLY A 43 7.393 1.514 5.466 1.00 0.97 C ATOM 634 O GLY A 43 7.188 1.990 6.565 1.00 1.10 O ATOM 0 H GLY A 43 9.022 -0.281 3.792 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.542 1.237 5.554 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.043 2.599 4.571 1.00 1.12 H new ATOM 638 N VAL A 44 6.421 0.941 4.784 1.00 0.78 N ATOM 639 CA VAL A 44 5.049 0.855 5.361 1.00 0.70 C ATOM 640 C VAL A 44 4.835 -0.580 5.862 1.00 0.72 C ATOM 641 O VAL A 44 5.036 -1.517 5.129 1.00 0.80 O ATOM 642 CB VAL A 44 4.039 1.185 4.238 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.085 2.686 3.926 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.407 0.436 2.962 1.00 1.06 C ATOM 0 H VAL A 44 6.526 0.532 3.855 1.00 0.78 H new ATOM 0 HA VAL A 44 4.915 1.552 6.188 1.00 0.70 H new ATOM 0 HB VAL A 44 3.045 0.891 4.575 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.372 2.915 3.134 1.00 0.79 H new ATOM 0 HG12 VAL A 44 3.827 3.252 4.821 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.089 2.959 3.601 1.00 0.79 H new ATOM 0 HG21 VAL A 44 3.688 0.677 2.179 1.00 1.06 H new ATOM 0 HG22 VAL A 44 5.406 0.732 2.641 1.00 1.06 H new ATOM 0 HG23 VAL A 44 4.390 -0.637 3.152 1.00 1.06 H new ATOM 654 N LYS A 45 4.410 -0.768 7.096 1.00 0.80 N ATOM 655 CA LYS A 45 4.177 -2.177 7.566 1.00 0.91 C ATOM 656 C LYS A 45 2.705 -2.534 7.395 1.00 0.78 C ATOM 657 O LYS A 45 2.298 -3.137 6.422 1.00 0.83 O ATOM 658 CB LYS A 45 4.562 -2.296 9.045 1.00 1.14 C ATOM 659 CG LYS A 45 4.477 -3.761 9.481 1.00 1.87 C ATOM 660 CD LYS A 45 4.802 -3.870 10.970 1.00 2.04 C ATOM 661 CE LYS A 45 4.875 -5.345 11.371 1.00 2.84 C ATOM 662 NZ LYS A 45 5.892 -6.038 10.529 1.00 3.49 N ATOM 0 H LYS A 45 4.220 -0.033 7.777 1.00 0.80 H new ATOM 0 HA LYS A 45 4.788 -2.860 6.976 1.00 0.91 H new ATOM 0 HB2 LYS A 45 5.573 -1.918 9.200 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.896 -1.685 9.655 1.00 1.14 H new ATOM 0 HG2 LYS A 45 3.478 -4.152 9.286 1.00 1.87 H new ATOM 0 HG3 LYS A 45 5.174 -4.365 8.901 1.00 1.87 H new ATOM 0 HD2 LYS A 45 5.751 -3.377 11.183 1.00 2.04 H new ATOM 0 HD3 LYS A 45 4.039 -3.360 11.558 1.00 2.04 H new ATOM 0 HE2 LYS A 45 5.138 -5.434 12.425 1.00 2.84 H new ATOM 0 HE3 LYS A 45 3.900 -5.816 11.245 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 6.277 -6.852 11.049 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 5.447 -6.369 9.649 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 6.662 -5.377 10.300 1.00 3.49 H new ATOM 676 N ARG A 46 1.902 -2.119 8.336 1.00 0.67 N ATOM 677 CA ARG A 46 0.445 -2.367 8.263 1.00 0.59 C ATOM 678 C ARG A 46 -0.250 -1.277 9.055 1.00 0.54 C ATOM 679 O ARG A 46 -0.027 -1.136 10.241 1.00 0.59 O ATOM 680 CB ARG A 46 0.121 -3.694 8.936 1.00 0.62 C ATOM 681 CG ARG A 46 -1.364 -4.017 8.766 1.00 0.62 C ATOM 682 CD ARG A 46 -1.673 -5.283 9.548 1.00 0.73 C ATOM 683 NE ARG A 46 -3.071 -5.722 9.283 1.00 1.39 N ATOM 684 CZ ARG A 46 -3.332 -6.518 8.279 1.00 1.89 C ATOM 685 NH1 ARG A 46 -2.374 -6.913 7.484 1.00 2.10 N ATOM 686 NH2 ARG A 46 -4.557 -6.912 8.066 1.00 2.78 N ATOM 0 H ARG A 46 2.206 -1.609 9.166 1.00 0.67 H new ATOM 0 HA ARG A 46 0.123 -2.383 7.222 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.727 -4.489 8.501 1.00 0.62 H new ATOM 0 HB3 ARG A 46 0.372 -3.645 9.996 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -1.976 -3.190 9.127 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -1.604 -4.155 7.712 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -0.976 -6.073 9.266 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -1.536 -5.103 10.614 1.00 0.73 H new ATOM 0 HE ARG A 46 -3.828 -5.401 9.887 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -1.416 -6.601 7.645 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -2.583 -7.534 6.702 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -5.308 -6.599 8.682 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -4.764 -7.533 7.284 1.00 2.78 H new ATOM 700 N ARG A 47 -1.096 -0.521 8.452 1.00 0.50 N ATOM 701 CA ARG A 47 -1.793 0.524 9.227 1.00 0.51 C ATOM 702 C ARG A 47 -3.099 0.901 8.537 1.00 0.43 C ATOM 703 O ARG A 47 -3.334 0.519 7.411 1.00 0.40 O ATOM 704 CB ARG A 47 -0.876 1.735 9.425 1.00 0.65 C ATOM 705 CG ARG A 47 -0.451 2.306 8.072 1.00 0.69 C ATOM 706 CD ARG A 47 0.609 3.386 8.297 1.00 0.88 C ATOM 707 NE ARG A 47 1.854 2.760 8.824 1.00 1.51 N ATOM 708 CZ ARG A 47 2.708 2.205 8.009 1.00 2.07 C ATOM 709 NH1 ARG A 47 2.478 2.197 6.725 1.00 2.26 N ATOM 710 NH2 ARG A 47 3.793 1.656 8.483 1.00 3.10 N ATOM 0 H ARG A 47 -1.338 -0.576 7.463 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.043 0.140 10.216 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.393 2.500 10.004 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.005 1.443 9.997 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.053 1.514 7.438 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.313 2.727 7.554 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.818 3.905 7.362 1.00 0.88 H new ATOM 0 HD3 ARG A 47 0.239 4.132 9.000 1.00 0.88 H new ATOM 0 HE ARG A 47 2.039 2.765 9.827 1.00 1.51 H new ATOM 0 HH11 ARG A 47 1.629 2.625 6.356 1.00 2.26 H new ATOM 0 HH12 ARG A 47 3.147 1.762 6.090 1.00 2.26 H new ATOM 0 HH21 ARG A 47 3.971 1.662 9.487 1.00 3.10 H new ATOM 0 HH22 ARG A 47 4.463 1.221 7.849 1.00 3.10 H new ATOM 724 N ARG A 48 -3.954 1.641 9.197 1.00 0.46 N ATOM 725 CA ARG A 48 -5.241 2.029 8.550 1.00 0.40 C ATOM 726 C ARG A 48 -5.207 3.531 8.269 1.00 0.40 C ATOM 727 O ARG A 48 -4.705 4.299 9.065 1.00 0.49 O ATOM 728 CB ARG A 48 -6.399 1.720 9.507 1.00 0.44 C ATOM 729 CG ARG A 48 -6.471 0.213 9.760 1.00 1.30 C ATOM 730 CD ARG A 48 -7.687 -0.101 10.633 1.00 1.32 C ATOM 731 NE ARG A 48 -7.638 -1.530 11.054 1.00 1.71 N ATOM 732 CZ ARG A 48 -8.703 -2.102 11.547 1.00 2.17 C ATOM 733 NH1 ARG A 48 -9.813 -1.425 11.663 1.00 2.17 N ATOM 734 NH2 ARG A 48 -8.658 -3.352 11.922 1.00 3.00 N ATOM 0 H ARG A 48 -3.818 1.989 10.146 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.379 1.475 7.621 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.257 2.250 10.449 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -7.339 2.072 9.082 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -6.542 -0.322 8.813 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -5.560 -0.128 10.251 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -7.697 0.548 11.509 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -8.606 0.096 10.080 1.00 1.32 H new ATOM 0 HE ARG A 48 -6.773 -2.061 10.957 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -9.848 -0.449 11.368 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.645 -1.872 12.048 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -7.791 -3.881 11.830 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -9.490 -3.799 12.307 1.00 3.00 H new ATOM 748 N VAL A 49 -5.720 3.954 7.134 1.00 0.35 N ATOM 749 CA VAL A 49 -5.704 5.414 6.783 1.00 0.41 C ATOM 750 C VAL A 49 -7.102 5.949 6.494 1.00 0.38 C ATOM 751 O VAL A 49 -7.911 5.317 5.834 1.00 0.37 O ATOM 752 CB VAL A 49 -4.821 5.678 5.560 1.00 0.50 C ATOM 753 CG1 VAL A 49 -4.861 7.167 5.241 1.00 1.63 C ATOM 754 CG2 VAL A 49 -3.370 5.323 5.866 1.00 1.04 C ATOM 0 H VAL A 49 -6.150 3.349 6.434 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.299 5.932 7.653 1.00 0.41 H new ATOM 0 HB VAL A 49 -5.188 5.076 4.729 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.236 7.370 4.371 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.887 7.466 5.028 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -4.488 7.732 6.095 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -2.755 5.516 4.987 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -3.014 5.931 6.698 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -3.302 4.268 6.132 1.00 1.04 H new ATOM 764 N ASN A 50 -7.375 7.120 6.999 1.00 0.39 N ATOM 765 CA ASN A 50 -8.697 7.761 6.784 1.00 0.42 C ATOM 766 C ASN A 50 -8.696 8.366 5.368 1.00 0.42 C ATOM 767 O ASN A 50 -7.654 8.668 4.825 1.00 0.39 O ATOM 768 CB ASN A 50 -8.851 8.925 7.765 1.00 0.48 C ATOM 769 CG ASN A 50 -8.674 8.434 9.193 1.00 1.38 C ATOM 770 OD1 ASN A 50 -8.643 7.259 9.431 1.00 2.28 O ATOM 771 ND2 ASN A 50 -8.553 9.301 10.161 1.00 1.90 N ATOM 0 H ASN A 50 -6.724 7.667 7.562 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.496 7.031 6.919 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -8.114 9.697 7.544 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -9.834 9.381 7.649 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -8.432 8.980 11.121 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -8.580 10.300 9.957 1.00 1.90 H new ATOM 778 N ILE A 51 -9.834 8.559 4.767 1.00 0.51 N ATOM 779 CA ILE A 51 -9.887 9.156 3.391 1.00 0.56 C ATOM 780 C ILE A 51 -9.173 10.518 3.400 1.00 0.57 C ATOM 781 O ILE A 51 -8.683 10.985 2.399 1.00 0.59 O ATOM 782 CB ILE A 51 -11.370 9.333 2.998 1.00 0.73 C ATOM 783 CG1 ILE A 51 -12.104 7.984 3.054 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.510 9.904 1.583 1.00 0.81 C ATOM 785 CD1 ILE A 51 -11.328 6.898 2.302 1.00 1.41 C ATOM 0 H ILE A 51 -10.743 8.329 5.168 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.390 8.506 2.670 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.811 10.031 3.710 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -12.240 7.684 4.093 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -13.098 8.090 2.620 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.566 10.016 1.339 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -11.021 10.877 1.533 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -11.042 9.226 0.869 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -11.873 5.956 2.360 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -11.215 7.189 1.258 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -10.343 6.776 2.753 1.00 1.41 H new ATOM 797 N LEU A 52 -9.137 11.171 4.509 1.00 0.61 N ATOM 798 CA LEU A 52 -8.493 12.508 4.553 1.00 0.70 C ATOM 799 C LEU A 52 -7.069 12.382 4.005 1.00 0.64 C ATOM 800 O LEU A 52 -6.594 13.270 3.326 1.00 0.75 O ATOM 801 CB LEU A 52 -8.448 13.044 5.994 1.00 0.76 C ATOM 802 CG LEU A 52 -9.855 13.373 6.551 1.00 0.85 C ATOM 803 CD1 LEU A 52 -10.218 14.811 6.177 1.00 1.25 C ATOM 804 CD2 LEU A 52 -10.947 12.430 6.021 1.00 1.08 C ATOM 0 H LEU A 52 -9.524 10.843 5.394 1.00 0.61 H new ATOM 0 HA LEU A 52 -9.072 13.206 3.948 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.970 12.306 6.638 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.830 13.941 6.025 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.810 13.243 7.632 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -11.208 15.049 6.566 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -9.485 15.495 6.606 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -10.220 14.915 5.092 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -11.910 12.712 6.448 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -10.996 12.504 4.935 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -10.711 11.404 6.304 1.00 1.08 H new ATOM 816 N HIS A 53 -6.407 11.273 4.233 1.00 0.52 N ATOM 817 CA HIS A 53 -5.041 11.094 3.646 1.00 0.55 C ATOM 818 C HIS A 53 -5.076 9.933 2.651 1.00 0.45 C ATOM 819 O HIS A 53 -4.879 8.803 3.038 1.00 0.50 O ATOM 820 CB HIS A 53 -4.072 10.720 4.778 1.00 0.70 C ATOM 821 CG HIS A 53 -3.921 11.879 5.723 1.00 0.84 C ATOM 822 ND1 HIS A 53 -4.728 12.029 6.843 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.062 12.951 5.733 1.00 1.35 C ATOM 824 CE1 HIS A 53 -4.342 13.154 7.473 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.332 13.750 6.838 1.00 1.20 N ATOM 0 H HIS A 53 -6.748 10.492 4.794 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.725 12.011 3.149 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.445 9.848 5.315 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -3.101 10.448 4.363 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -2.296 13.143 4.997 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -4.794 13.528 8.380 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -2.857 14.612 7.107 1.00 1.20 H new ATOM 834 N LEU A 54 -5.292 10.166 1.372 1.00 0.42 N ATOM 835 CA LEU A 54 -5.297 9.028 0.395 1.00 0.43 C ATOM 836 C LEU A 54 -4.509 9.390 -0.871 1.00 0.36 C ATOM 837 O LEU A 54 -4.781 10.383 -1.511 1.00 0.39 O ATOM 838 CB LEU A 54 -6.743 8.694 -0.014 1.00 0.59 C ATOM 839 CG LEU A 54 -7.423 9.945 -0.675 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.552 9.807 -2.201 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.848 10.158 -0.154 1.00 1.29 C ATOM 0 H LEU A 54 -5.463 11.087 0.968 1.00 0.42 H new ATOM 0 HA LEU A 54 -4.831 8.170 0.880 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -6.747 7.857 -0.713 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.313 8.381 0.861 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.773 10.781 -0.416 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -8.029 10.699 -2.608 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -6.561 9.692 -2.641 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -8.158 8.932 -2.437 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -9.284 11.033 -0.635 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.453 9.280 -0.380 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.822 10.313 0.925 1.00 1.29 H new ATOM 853 N GLU A 55 -3.606 8.541 -1.285 1.00 0.39 N ATOM 854 CA GLU A 55 -2.873 8.759 -2.571 1.00 0.38 C ATOM 855 C GLU A 55 -2.989 7.423 -3.327 1.00 0.43 C ATOM 856 O GLU A 55 -2.163 6.544 -3.174 1.00 0.50 O ATOM 857 CB GLU A 55 -1.405 9.108 -2.308 1.00 0.44 C ATOM 858 CG GLU A 55 -1.052 10.433 -2.995 1.00 0.85 C ATOM 859 CD GLU A 55 -1.769 11.590 -2.298 1.00 1.55 C ATOM 860 OE1 GLU A 55 -2.662 11.320 -1.516 1.00 2.28 O ATOM 861 OE2 GLU A 55 -1.413 12.726 -2.561 1.00 2.20 O ATOM 0 H GLU A 55 -3.341 7.694 -0.782 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.289 9.589 -3.142 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.227 9.186 -1.235 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -0.761 8.312 -2.681 1.00 0.44 H new ATOM 0 HG2 GLU A 55 0.026 10.592 -2.966 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -1.340 10.396 -4.046 1.00 0.85 H new ATOM 868 N PRO A 56 -4.048 7.232 -4.075 1.00 0.46 N ATOM 869 CA PRO A 56 -4.324 5.959 -4.786 1.00 0.52 C ATOM 870 C PRO A 56 -3.788 5.869 -6.209 1.00 0.50 C ATOM 871 O PRO A 56 -3.561 6.856 -6.879 1.00 0.53 O ATOM 872 CB PRO A 56 -5.844 5.937 -4.819 1.00 0.66 C ATOM 873 CG PRO A 56 -6.244 7.369 -4.946 1.00 0.69 C ATOM 874 CD PRO A 56 -5.118 8.204 -4.331 1.00 0.56 C ATOM 0 HA PRO A 56 -3.834 5.127 -4.280 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.213 5.347 -5.658 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.253 5.491 -3.912 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.395 7.636 -5.992 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.187 7.553 -4.431 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -4.788 8.990 -5.011 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.441 8.692 -3.412 1.00 0.56 H new ATOM 882 N THR A 57 -3.613 4.659 -6.660 1.00 0.56 N ATOM 883 CA THR A 57 -3.121 4.417 -8.037 1.00 0.63 C ATOM 884 C THR A 57 -4.289 3.911 -8.887 1.00 0.66 C ATOM 885 O THR A 57 -5.326 3.531 -8.381 1.00 0.71 O ATOM 886 CB THR A 57 -2.001 3.368 -8.023 1.00 0.78 C ATOM 887 OG1 THR A 57 -2.551 2.097 -7.710 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.929 3.743 -6.992 1.00 0.78 C ATOM 0 H THR A 57 -3.795 3.814 -6.119 1.00 0.56 H new ATOM 0 HA THR A 57 -2.724 5.343 -8.453 1.00 0.63 H new ATOM 0 HB THR A 57 -1.535 3.331 -9.008 1.00 0.78 H new ATOM 0 HG1 THR A 57 -2.261 1.827 -6.814 1.00 0.88 H new ATOM 0 HG21 THR A 57 -0.142 2.989 -6.995 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.503 4.713 -7.247 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.379 3.794 -6.001 1.00 0.78 H new ATOM 896 N ASP A 58 -4.127 3.924 -10.174 1.00 0.71 N ATOM 897 CA ASP A 58 -5.209 3.472 -11.096 1.00 0.78 C ATOM 898 C ASP A 58 -5.129 1.955 -11.244 1.00 0.87 C ATOM 899 O ASP A 58 -5.671 1.369 -12.160 1.00 1.59 O ATOM 900 CB ASP A 58 -5.059 4.159 -12.459 1.00 0.88 C ATOM 901 CG ASP A 58 -3.761 3.715 -13.145 1.00 1.77 C ATOM 902 OD1 ASP A 58 -3.163 2.753 -12.695 1.00 2.57 O ATOM 903 OD2 ASP A 58 -3.381 4.358 -14.110 1.00 2.16 O ATOM 0 H ASP A 58 -3.275 4.234 -10.640 1.00 0.71 H new ATOM 0 HA ASP A 58 -6.183 3.742 -10.687 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -5.913 3.916 -13.091 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -5.057 5.241 -12.329 1.00 0.88 H new ATOM 908 N LYS A 59 -4.410 1.337 -10.360 1.00 0.69 N ATOM 909 CA LYS A 59 -4.211 -0.120 -10.418 1.00 0.63 C ATOM 910 C LYS A 59 -5.342 -0.785 -9.647 1.00 0.92 C ATOM 911 O LYS A 59 -5.779 -0.297 -8.637 1.00 1.56 O ATOM 912 CB LYS A 59 -2.903 -0.404 -9.686 1.00 0.62 C ATOM 913 CG LYS A 59 -1.747 0.278 -10.416 1.00 1.23 C ATOM 914 CD LYS A 59 -0.431 -0.078 -9.725 1.00 1.26 C ATOM 915 CE LYS A 59 0.713 0.702 -10.377 1.00 2.14 C ATOM 916 NZ LYS A 59 0.841 2.034 -9.721 1.00 2.90 N ATOM 0 H LYS A 59 -3.941 1.798 -9.580 1.00 0.69 H new ATOM 0 HA LYS A 59 -4.190 -0.487 -11.444 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -2.963 -0.041 -8.660 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -2.730 -1.479 -9.634 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -1.721 -0.041 -11.458 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -1.890 1.359 -10.417 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -0.489 0.160 -8.663 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -0.245 -1.149 -9.802 1.00 1.26 H new ATOM 0 HE2 LYS A 59 1.646 0.147 -10.283 1.00 2.14 H new ATOM 0 HE3 LYS A 59 0.522 0.826 -11.443 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 1.827 2.181 -9.423 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 0.568 2.779 -10.393 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 0.218 2.072 -8.889 1.00 2.90 H new ATOM 930 N LYS A 60 -5.820 -1.887 -10.129 1.00 0.91 N ATOM 931 CA LYS A 60 -6.935 -2.595 -9.426 1.00 1.21 C ATOM 932 C LYS A 60 -6.663 -4.089 -9.364 1.00 0.55 C ATOM 933 O LYS A 60 -6.389 -4.727 -10.362 1.00 1.43 O ATOM 934 CB LYS A 60 -8.249 -2.353 -10.173 1.00 2.34 C ATOM 935 CG LYS A 60 -9.404 -2.987 -9.393 1.00 2.82 C ATOM 936 CD LYS A 60 -10.731 -2.674 -10.092 1.00 3.96 C ATOM 937 CE LYS A 60 -10.804 -3.400 -11.439 1.00 4.45 C ATOM 938 NZ LYS A 60 -12.232 -3.567 -11.832 1.00 5.03 N ATOM 0 H LYS A 60 -5.492 -2.338 -10.983 1.00 0.91 H new ATOM 0 HA LYS A 60 -7.008 -2.206 -8.411 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -8.420 -1.283 -10.292 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -8.194 -2.780 -11.174 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -9.262 -4.066 -9.327 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -9.420 -2.604 -8.373 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -11.564 -2.980 -9.460 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -10.825 -1.599 -10.245 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -10.269 -2.832 -12.201 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -10.318 -4.373 -11.367 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -12.285 -4.060 -12.746 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -12.728 -4.125 -11.108 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -12.681 -2.632 -11.916 1.00 5.03 H new ATOM 952 N ILE A 61 -6.768 -4.651 -8.193 1.00 0.90 N ATOM 953 CA ILE A 61 -6.559 -6.105 -8.002 1.00 1.43 C ATOM 954 C ILE A 61 -7.816 -6.650 -7.316 1.00 0.99 C ATOM 955 O ILE A 61 -8.464 -5.953 -6.561 1.00 1.45 O ATOM 956 CB ILE A 61 -5.285 -6.362 -7.163 1.00 2.80 C ATOM 957 CG1 ILE A 61 -5.000 -7.860 -7.115 1.00 3.66 C ATOM 958 CG2 ILE A 61 -5.410 -5.837 -5.724 1.00 3.54 C ATOM 959 CD1 ILE A 61 -3.580 -8.083 -6.592 1.00 4.81 C ATOM 0 H ILE A 61 -6.997 -4.144 -7.338 1.00 0.90 H new ATOM 0 HA ILE A 61 -6.407 -6.613 -8.954 1.00 1.43 H new ATOM 0 HB ILE A 61 -4.470 -5.824 -7.646 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -5.722 -8.359 -6.468 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -5.107 -8.295 -8.109 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -4.488 -6.044 -5.180 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -5.587 -4.762 -5.743 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -6.244 -6.333 -5.227 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -3.370 -9.152 -6.555 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -2.867 -7.595 -7.257 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -3.490 -7.661 -5.591 1.00 4.81 H new ATOM 971 N ASP A 62 -8.191 -7.860 -7.576 1.00 1.05 N ATOM 972 CA ASP A 62 -9.428 -8.388 -6.929 1.00 0.82 C ATOM 973 C ASP A 62 -9.055 -8.926 -5.551 1.00 0.92 C ATOM 974 O ASP A 62 -8.201 -9.779 -5.413 1.00 1.22 O ATOM 975 CB ASP A 62 -10.018 -9.504 -7.771 1.00 1.33 C ATOM 976 CG ASP A 62 -11.356 -9.945 -7.174 1.00 1.56 C ATOM 977 OD1 ASP A 62 -11.796 -9.314 -6.227 1.00 2.14 O ATOM 978 OD2 ASP A 62 -11.916 -10.907 -7.673 1.00 2.06 O ATOM 0 H ASP A 62 -7.707 -8.506 -8.199 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.169 -7.594 -6.837 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -10.161 -9.163 -8.796 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -9.329 -10.348 -7.809 1.00 1.33 H new ATOM 983 N ILE A 63 -9.651 -8.365 -4.525 1.00 0.75 N ATOM 984 CA ILE A 63 -9.303 -8.756 -3.128 1.00 0.87 C ATOM 985 C ILE A 63 -10.524 -9.287 -2.362 1.00 0.70 C ATOM 986 O ILE A 63 -11.657 -9.006 -2.698 1.00 0.66 O ATOM 987 CB ILE A 63 -8.748 -7.493 -2.459 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.859 -6.437 -2.290 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.663 -6.913 -3.361 1.00 1.72 C ATOM 990 CD1 ILE A 63 -9.319 -5.223 -1.530 1.00 1.64 C ATOM 0 H ILE A 63 -10.371 -7.646 -4.601 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.574 -9.566 -3.126 1.00 0.87 H new ATOM 0 HB ILE A 63 -8.351 -7.751 -1.477 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -10.230 -6.128 -3.267 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -10.702 -6.868 -1.750 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -7.253 -6.012 -2.904 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.868 -7.647 -3.492 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -8.091 -6.665 -4.332 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.111 -4.483 -1.416 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -8.970 -5.536 -0.546 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -8.491 -4.785 -2.086 1.00 1.64 H new ATOM 1002 N GLN A 64 -10.286 -10.050 -1.320 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.410 -10.606 -0.507 1.00 0.66 C ATOM 1004 C GLN A 64 -11.837 -9.610 0.582 1.00 0.61 C ATOM 1005 O GLN A 64 -12.735 -9.880 1.356 1.00 1.32 O ATOM 1006 CB GLN A 64 -10.954 -11.907 0.155 1.00 0.77 C ATOM 1007 CG GLN A 64 -10.604 -12.934 -0.923 1.00 1.23 C ATOM 1008 CD GLN A 64 -10.104 -14.219 -0.262 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -9.762 -14.222 0.904 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -10.044 -15.319 -0.961 1.00 2.59 N ATOM 0 H GLN A 64 -9.354 -10.312 -0.998 1.00 0.71 H new ATOM 0 HA GLN A 64 -12.259 -10.793 -1.164 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -10.087 -11.720 0.789 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -11.743 -12.295 0.799 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -11.480 -13.145 -1.537 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -9.839 -12.533 -1.587 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -10.331 -15.318 -1.940 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -9.710 -16.180 -0.529 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.208 -8.466 0.654 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.592 -7.466 1.699 1.00 0.78 C ATOM 1021 C LYS A 65 -11.539 -8.075 3.097 1.00 0.69 C ATOM 1022 O LYS A 65 -12.436 -8.778 3.518 1.00 0.82 O ATOM 1023 CB LYS A 65 -12.993 -6.927 1.432 1.00 1.04 C ATOM 1024 CG LYS A 65 -12.965 -6.158 0.124 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.314 -5.495 -0.117 1.00 1.99 C ATOM 1026 CE LYS A 65 -14.271 -4.806 -1.471 1.00 2.85 C ATOM 1027 NZ LYS A 65 -15.345 -5.349 -2.348 1.00 3.48 N ATOM 0 H LYS A 65 -10.447 -8.180 0.038 1.00 0.80 H new ATOM 0 HA LYS A 65 -10.873 -6.648 1.650 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -13.711 -7.745 1.376 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.312 -6.278 2.248 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -12.179 -5.403 0.153 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.729 -6.832 -0.699 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.112 -6.237 -0.094 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -14.528 -4.772 0.670 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -14.400 -3.731 -1.346 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -13.297 -4.959 -1.936 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -15.311 -4.874 -3.273 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -15.203 -6.371 -2.478 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -16.272 -5.181 -1.907 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.503 -7.782 3.829 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.399 -8.313 5.223 1.00 0.60 C ATOM 1043 C GLY A 66 -9.640 -9.647 5.259 1.00 0.55 C ATOM 1044 O GLY A 66 -9.566 -10.291 6.288 1.00 0.64 O ATOM 0 H GLY A 66 -9.723 -7.199 3.527 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -9.889 -7.585 5.854 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.398 -8.450 5.637 1.00 0.60 H new ATOM 1048 N ALA A 67 -9.090 -10.086 4.160 1.00 0.50 N ATOM 1049 CA ALA A 67 -8.361 -11.391 4.157 1.00 0.56 C ATOM 1050 C ALA A 67 -7.322 -11.420 5.282 1.00 0.56 C ATOM 1051 O ALA A 67 -6.784 -10.404 5.673 1.00 0.54 O ATOM 1052 CB ALA A 67 -7.658 -11.578 2.812 1.00 0.62 C ATOM 0 H ALA A 67 -9.113 -9.600 3.264 1.00 0.50 H new ATOM 0 HA ALA A 67 -9.077 -12.197 4.315 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -7.126 -12.529 2.809 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -8.397 -11.573 2.011 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.949 -10.765 2.656 1.00 0.62 H new ATOM 1058 N SER A 68 -7.047 -12.586 5.816 1.00 0.63 N ATOM 1059 CA SER A 68 -6.055 -12.676 6.927 1.00 0.65 C ATOM 1060 C SER A 68 -4.678 -12.287 6.389 1.00 0.60 C ATOM 1061 O SER A 68 -4.446 -12.292 5.196 1.00 0.56 O ATOM 1062 CB SER A 68 -6.011 -14.107 7.464 1.00 0.73 C ATOM 1063 OG SER A 68 -5.331 -14.937 6.531 1.00 0.73 O ATOM 0 H SER A 68 -7.465 -13.472 5.531 1.00 0.63 H new ATOM 0 HA SER A 68 -6.342 -12.003 7.735 1.00 0.65 H new ATOM 0 HB2 SER A 68 -5.502 -14.131 8.428 1.00 0.73 H new ATOM 0 HB3 SER A 68 -7.023 -14.478 7.628 1.00 0.73 H new ATOM 0 HG SER A 68 -4.456 -15.189 6.894 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.775 -11.901 7.249 1.00 0.64 N ATOM 1070 CA ASP A 69 -2.444 -11.461 6.764 1.00 0.60 C ATOM 1071 C ASP A 69 -1.754 -12.542 5.935 1.00 0.57 C ATOM 1072 O ASP A 69 -1.129 -12.239 4.945 1.00 0.51 O ATOM 1073 CB ASP A 69 -1.564 -11.123 7.968 1.00 0.66 C ATOM 1074 CG ASP A 69 -2.118 -9.885 8.675 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.974 -9.233 8.100 1.00 2.02 O ATOM 1076 OD2 ASP A 69 -1.676 -9.610 9.778 1.00 1.69 O ATOM 0 H ASP A 69 -3.904 -11.873 8.260 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.589 -10.588 6.127 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -1.535 -11.966 8.658 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -0.540 -10.941 7.643 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.824 -13.791 6.304 1.00 0.64 N ATOM 1082 CA GLU A 70 -1.095 -14.788 5.472 1.00 0.64 C ATOM 1083 C GLU A 70 -1.673 -14.822 4.059 1.00 0.59 C ATOM 1084 O GLU A 70 -0.944 -14.896 3.086 1.00 0.57 O ATOM 1085 CB GLU A 70 -1.230 -16.177 6.104 1.00 0.75 C ATOM 1086 CG GLU A 70 -0.548 -16.193 7.478 1.00 1.34 C ATOM 1087 CD GLU A 70 -1.496 -15.642 8.549 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -2.636 -15.353 8.222 1.00 1.89 O ATOM 1089 OE2 GLU A 70 -1.064 -15.518 9.683 1.00 2.30 O ATOM 0 H GLU A 70 -2.332 -14.154 7.111 1.00 0.64 H new ATOM 0 HA GLU A 70 -0.044 -14.503 5.422 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -2.283 -16.438 6.208 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -0.778 -16.927 5.455 1.00 0.75 H new ATOM 0 HG2 GLU A 70 -0.253 -17.211 7.733 1.00 1.34 H new ATOM 0 HG3 GLU A 70 0.363 -15.595 7.446 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.968 -14.725 3.916 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.533 -14.713 2.543 1.00 0.57 C ATOM 1098 C GLU A 71 -3.127 -13.420 1.840 1.00 0.51 C ATOM 1099 O GLU A 71 -2.845 -13.395 0.658 1.00 0.51 O ATOM 1100 CB GLU A 71 -5.058 -14.801 2.616 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.464 -16.150 3.211 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.990 -16.265 3.222 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.641 -15.273 2.942 1.00 1.50 O ATOM 1104 OE2 GLU A 71 -7.480 -17.345 3.510 1.00 1.96 O ATOM 0 H GLU A 71 -3.645 -14.655 4.676 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.150 -15.566 1.984 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.451 -13.989 3.228 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.487 -14.687 1.621 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -5.032 -16.962 2.626 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -5.074 -16.244 4.225 1.00 0.90 H new ATOM 1111 N VAL A 72 -3.112 -12.337 2.574 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.748 -11.024 1.973 1.00 0.46 C ATOM 1113 C VAL A 72 -1.307 -11.016 1.487 1.00 0.41 C ATOM 1114 O VAL A 72 -1.007 -10.505 0.427 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.915 -9.929 3.028 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.394 -8.597 2.483 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -4.394 -9.785 3.395 1.00 0.59 C ATOM 0 H VAL A 72 -3.338 -12.308 3.568 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.403 -10.847 1.120 1.00 0.46 H new ATOM 0 HB VAL A 72 -2.346 -10.203 3.916 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.516 -7.822 3.239 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.338 -8.695 2.231 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.956 -8.324 1.590 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -4.508 -9.004 4.147 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.965 -9.519 2.506 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.763 -10.730 3.794 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.399 -11.561 2.252 1.00 0.40 N ATOM 1128 CA LYS A 73 1.007 -11.535 1.789 1.00 0.43 C ATOM 1129 C LYS A 73 1.128 -12.283 0.466 1.00 0.47 C ATOM 1130 O LYS A 73 1.808 -11.843 -0.442 1.00 0.51 O ATOM 1131 CB LYS A 73 1.907 -12.180 2.846 1.00 0.48 C ATOM 1132 CG LYS A 73 1.892 -11.341 4.121 1.00 0.50 C ATOM 1133 CD LYS A 73 2.884 -11.941 5.114 1.00 0.59 C ATOM 1134 CE LYS A 73 2.785 -11.186 6.430 1.00 0.76 C ATOM 1135 NZ LYS A 73 3.691 -11.812 7.436 1.00 0.79 N ATOM 0 H LYS A 73 -0.568 -12.010 3.152 1.00 0.40 H new ATOM 0 HA LYS A 73 1.321 -10.502 1.638 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.563 -13.191 3.062 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.926 -12.264 2.467 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.160 -10.308 3.897 1.00 0.50 H new ATOM 0 HG3 LYS A 73 0.890 -11.325 4.551 1.00 0.50 H new ATOM 0 HD2 LYS A 73 2.668 -12.998 5.269 1.00 0.59 H new ATOM 0 HD3 LYS A 73 3.898 -11.877 4.719 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.056 -10.141 6.282 1.00 0.76 H new ATOM 0 HE3 LYS A 73 1.757 -11.200 6.793 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 3.622 -11.294 8.335 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 3.413 -12.803 7.585 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 4.671 -11.776 7.090 1.00 0.79 H new ATOM 1149 N LYS A 74 0.478 -13.413 0.333 1.00 0.49 N ATOM 1150 CA LYS A 74 0.606 -14.131 -0.962 1.00 0.57 C ATOM 1151 C LYS A 74 0.072 -13.237 -2.076 1.00 0.58 C ATOM 1152 O LYS A 74 0.671 -13.102 -3.127 1.00 0.63 O ATOM 1153 CB LYS A 74 -0.206 -15.423 -0.916 1.00 0.63 C ATOM 1154 CG LYS A 74 0.388 -16.357 0.138 1.00 1.16 C ATOM 1155 CD LYS A 74 -0.349 -17.692 0.093 1.00 1.19 C ATOM 1156 CE LYS A 74 0.150 -18.594 1.223 1.00 2.01 C ATOM 1157 NZ LYS A 74 0.617 -19.890 0.655 1.00 2.33 N ATOM 0 H LYS A 74 -0.113 -13.853 1.038 1.00 0.49 H new ATOM 0 HA LYS A 74 1.653 -14.372 -1.147 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.247 -15.203 -0.678 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -0.197 -15.906 -1.893 1.00 0.63 H new ATOM 0 HG2 LYS A 74 1.451 -16.508 -0.049 1.00 1.16 H new ATOM 0 HG3 LYS A 74 0.299 -15.911 1.129 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -1.422 -17.529 0.191 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -0.187 -18.176 -0.870 1.00 1.19 H new ATOM 0 HE2 LYS A 74 0.963 -18.106 1.760 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -0.649 -18.768 1.944 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 0.956 -20.504 1.423 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -0.171 -20.357 0.161 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 1.392 -19.716 -0.017 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.061 -12.621 -1.850 1.00 0.55 N ATOM 1172 CA LYS A 75 -1.677 -11.735 -2.867 1.00 0.59 C ATOM 1173 C LYS A 75 -0.763 -10.580 -3.218 1.00 0.55 C ATOM 1174 O LYS A 75 -0.740 -10.108 -4.336 1.00 0.59 O ATOM 1175 CB LYS A 75 -2.968 -11.172 -2.302 1.00 0.62 C ATOM 1176 CG LYS A 75 -3.697 -10.400 -3.396 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.046 -9.919 -2.865 1.00 1.32 C ATOM 1178 CE LYS A 75 -4.835 -8.873 -1.769 1.00 1.88 C ATOM 1179 NZ LYS A 75 -4.695 -9.560 -0.455 1.00 2.62 N ATOM 0 H LYS A 75 -1.591 -12.701 -0.982 1.00 0.55 H new ATOM 0 HA LYS A 75 -1.861 -12.320 -3.768 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.598 -11.979 -1.928 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -2.755 -10.516 -1.458 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -3.096 -9.549 -3.718 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -3.843 -11.036 -4.269 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -5.635 -9.493 -3.677 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -5.612 -10.762 -2.470 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -3.944 -8.282 -1.981 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.677 -8.181 -1.743 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -3.858 -9.193 0.041 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -5.543 -9.384 0.121 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -4.586 -10.583 -0.608 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.054 -10.075 -2.258 1.00 0.51 N ATOM 1194 CA LEU A 76 0.800 -8.902 -2.523 1.00 0.52 C ATOM 1195 C LEU A 76 1.708 -9.214 -3.700 1.00 0.54 C ATOM 1196 O LEU A 76 1.971 -8.381 -4.537 1.00 0.59 O ATOM 1197 CB LEU A 76 1.619 -8.694 -1.261 1.00 0.58 C ATOM 1198 CG LEU A 76 2.382 -7.381 -1.315 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.664 -6.961 0.116 1.00 1.30 C ATOM 1200 CD2 LEU A 76 3.703 -7.544 -2.076 1.00 1.28 C ATOM 0 H LEU A 76 -0.030 -10.426 -1.301 1.00 0.51 H new ATOM 0 HA LEU A 76 0.223 -8.010 -2.767 1.00 0.52 H new ATOM 0 HB2 LEU A 76 0.961 -8.701 -0.392 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.319 -9.520 -1.138 1.00 0.58 H new ATOM 0 HG LEU A 76 1.791 -6.629 -1.838 1.00 0.76 H new ATOM 0 HD11 LEU A 76 3.212 -6.019 0.117 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.722 -6.833 0.650 1.00 1.30 H new ATOM 0 HD13 LEU A 76 3.260 -7.729 0.610 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.229 -6.590 -2.100 1.00 1.28 H new ATOM 0 HD22 LEU A 76 4.322 -8.288 -1.574 1.00 1.28 H new ATOM 0 HD23 LEU A 76 3.498 -7.871 -3.095 1.00 1.28 H new ATOM 1212 N GLU A 77 2.210 -10.395 -3.759 1.00 0.54 N ATOM 1213 CA GLU A 77 3.125 -10.703 -4.884 1.00 0.62 C ATOM 1214 C GLU A 77 2.369 -10.435 -6.186 1.00 0.66 C ATOM 1215 O GLU A 77 2.942 -9.973 -7.153 1.00 0.72 O ATOM 1216 CB GLU A 77 3.547 -12.162 -4.835 1.00 0.67 C ATOM 1217 CG GLU A 77 4.361 -12.424 -3.566 1.00 0.65 C ATOM 1218 CD GLU A 77 4.839 -13.876 -3.558 1.00 1.04 C ATOM 1219 OE1 GLU A 77 4.397 -14.630 -4.408 1.00 1.47 O ATOM 1220 OE2 GLU A 77 5.642 -14.209 -2.701 1.00 1.70 O ATOM 0 H GLU A 77 2.038 -11.152 -3.098 1.00 0.54 H new ATOM 0 HA GLU A 77 4.020 -10.084 -4.819 1.00 0.62 H new ATOM 0 HB2 GLU A 77 2.667 -12.805 -4.853 1.00 0.67 H new ATOM 0 HB3 GLU A 77 4.140 -12.408 -5.716 1.00 0.67 H new ATOM 0 HG2 GLU A 77 5.215 -11.748 -3.523 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.753 -12.225 -2.684 1.00 0.65 H new ATOM 1227 N GLU A 78 1.080 -10.666 -6.221 1.00 0.65 N ATOM 1228 CA GLU A 78 0.321 -10.355 -7.465 1.00 0.71 C ATOM 1229 C GLU A 78 0.520 -8.866 -7.751 1.00 0.67 C ATOM 1230 O GLU A 78 0.600 -8.430 -8.882 1.00 0.72 O ATOM 1231 CB GLU A 78 -1.166 -10.630 -7.244 1.00 0.74 C ATOM 1232 CG GLU A 78 -1.909 -10.467 -8.569 1.00 1.38 C ATOM 1233 CD GLU A 78 -3.412 -10.645 -8.346 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -3.799 -10.878 -7.214 1.00 2.29 O ATOM 1235 OE2 GLU A 78 -4.149 -10.557 -9.315 1.00 1.85 O ATOM 0 H GLU A 78 0.530 -11.051 -5.453 1.00 0.65 H new ATOM 0 HA GLU A 78 0.671 -10.968 -8.296 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -1.308 -11.638 -6.855 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -1.569 -9.942 -6.500 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -1.709 -9.482 -8.990 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -1.550 -11.201 -9.291 1.00 1.38 H new ATOM 1242 N SER A 79 0.618 -8.096 -6.700 1.00 0.62 N ATOM 1243 CA SER A 79 0.833 -6.637 -6.858 1.00 0.62 C ATOM 1244 C SER A 79 2.183 -6.469 -7.588 1.00 0.68 C ATOM 1245 O SER A 79 2.416 -5.497 -8.274 1.00 0.74 O ATOM 1246 CB SER A 79 0.683 -5.878 -5.518 1.00 0.59 C ATOM 1247 OG SER A 79 -0.613 -6.139 -4.995 1.00 1.41 O ATOM 0 H SER A 79 0.557 -8.421 -5.735 1.00 0.62 H new ATOM 0 HA SER A 79 0.061 -6.168 -7.468 1.00 0.62 H new ATOM 0 HB2 SER A 79 1.448 -6.200 -4.812 1.00 0.59 H new ATOM 0 HB3 SER A 79 0.821 -4.808 -5.671 1.00 0.59 H new ATOM 0 HG SER A 79 -1.157 -5.326 -5.049 1.00 1.41 H new ATOM 1253 N ASN A 80 3.051 -7.452 -7.430 1.00 0.72 N ATOM 1254 CA ASN A 80 4.419 -7.480 -8.084 1.00 0.85 C ATOM 1255 C ASN A 80 5.386 -6.471 -7.471 1.00 0.84 C ATOM 1256 O ASN A 80 6.178 -5.834 -8.136 1.00 0.95 O ATOM 1257 CB ASN A 80 4.294 -7.208 -9.589 1.00 0.98 C ATOM 1258 CG ASN A 80 3.284 -8.180 -10.203 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.439 -7.785 -10.981 1.00 1.40 O ATOM 1260 ND2 ASN A 80 3.337 -9.445 -9.885 1.00 1.53 N ATOM 0 H ASN A 80 2.861 -8.270 -6.851 1.00 0.72 H new ATOM 0 HA ASN A 80 4.826 -8.476 -7.912 1.00 0.85 H new ATOM 0 HB2 ASN A 80 3.974 -6.180 -9.758 1.00 0.98 H new ATOM 0 HB3 ASN A 80 5.265 -7.323 -10.072 1.00 0.98 H new ATOM 0 HD21 ASN A 80 2.669 -10.101 -10.290 1.00 1.53 H new ATOM 0 HD22 ASN A 80 4.046 -9.777 -9.232 1.00 1.53 H new ATOM 1267 N LEU A 81 5.363 -6.430 -6.185 1.00 0.80 N ATOM 1268 CA LEU A 81 6.308 -5.595 -5.395 1.00 0.88 C ATOM 1269 C LEU A 81 7.699 -6.196 -5.469 1.00 1.17 C ATOM 1270 O LEU A 81 8.677 -5.541 -5.178 1.00 1.25 O ATOM 1271 CB LEU A 81 5.880 -5.511 -3.946 1.00 1.13 C ATOM 1272 CG LEU A 81 4.648 -4.609 -3.784 1.00 1.49 C ATOM 1273 CD1 LEU A 81 5.087 -3.145 -3.749 1.00 1.87 C ATOM 1274 CD2 LEU A 81 3.671 -4.795 -4.935 1.00 2.46 C ATOM 0 H LEU A 81 4.703 -6.961 -5.616 1.00 0.80 H new ATOM 0 HA LEU A 81 6.309 -4.590 -5.816 1.00 0.88 H new ATOM 0 HB2 LEU A 81 5.655 -6.510 -3.572 1.00 1.13 H new ATOM 0 HB3 LEU A 81 6.701 -5.122 -3.343 1.00 1.13 H new ATOM 0 HG LEU A 81 4.152 -4.884 -2.853 1.00 1.49 H new ATOM 0 HD11 LEU A 81 4.212 -2.505 -3.634 1.00 1.87 H new ATOM 0 HD12 LEU A 81 5.764 -2.988 -2.909 1.00 1.87 H new ATOM 0 HD13 LEU A 81 5.599 -2.896 -4.679 1.00 1.87 H new ATOM 0 HD21 LEU A 81 2.810 -4.143 -4.790 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.163 -4.543 -5.874 1.00 2.46 H new ATOM 0 HD23 LEU A 81 3.339 -5.833 -4.966 1.00 2.46 H new ATOM 1286 N THR A 82 7.784 -7.468 -5.763 1.00 1.41 N ATOM 1287 CA THR A 82 9.095 -8.166 -5.746 1.00 1.79 C ATOM 1288 C THR A 82 10.161 -7.276 -6.373 1.00 1.79 C ATOM 1289 O THR A 82 11.284 -7.243 -5.908 1.00 1.97 O ATOM 1290 CB THR A 82 8.977 -9.446 -6.577 1.00 2.11 C ATOM 1291 OG1 THR A 82 7.887 -10.221 -6.097 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.271 -10.253 -6.463 1.00 2.54 C ATOM 0 H THR A 82 6.989 -8.055 -6.016 1.00 1.41 H new ATOM 0 HA THR A 82 9.372 -8.398 -4.718 1.00 1.79 H new ATOM 0 HB THR A 82 8.806 -9.187 -7.622 1.00 2.11 H new ATOM 0 HG1 THR A 82 7.809 -11.040 -6.629 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.185 -11.164 -7.055 1.00 2.54 H new ATOM 0 HG22 THR A 82 11.105 -9.657 -6.833 1.00 2.54 H new ATOM 0 HG23 THR A 82 10.446 -10.514 -5.419 1.00 2.54 H new ATOM 1300 N GLU A 83 9.851 -6.546 -7.399 1.00 1.69 N ATOM 1301 CA GLU A 83 10.890 -5.671 -7.999 1.00 1.83 C ATOM 1302 C GLU A 83 10.247 -4.703 -9.005 1.00 1.73 C ATOM 1303 O GLU A 83 10.870 -3.760 -9.447 1.00 1.85 O ATOM 1304 CB GLU A 83 11.923 -6.559 -8.706 1.00 2.32 C ATOM 1305 CG GLU A 83 13.107 -5.724 -9.209 1.00 2.54 C ATOM 1306 CD GLU A 83 14.070 -6.624 -9.985 1.00 2.96 C ATOM 1307 OE1 GLU A 83 13.774 -7.801 -10.116 1.00 3.13 O ATOM 1308 OE2 GLU A 83 15.087 -6.122 -10.433 1.00 3.53 O ATOM 0 H GLU A 83 8.935 -6.515 -7.846 1.00 1.69 H new ATOM 0 HA GLU A 83 11.377 -5.083 -7.221 1.00 1.83 H new ATOM 0 HB2 GLU A 83 12.280 -7.327 -8.019 1.00 2.32 H new ATOM 0 HB3 GLU A 83 11.453 -7.074 -9.544 1.00 2.32 H new ATOM 0 HG2 GLU A 83 12.751 -4.917 -9.849 1.00 2.54 H new ATOM 0 HG3 GLU A 83 13.623 -5.261 -8.368 1.00 2.54 H new ATOM 1315 N TYR A 84 9.003 -4.899 -9.370 1.00 1.58 N ATOM 1316 CA TYR A 84 8.402 -3.942 -10.347 1.00 1.68 C ATOM 1317 C TYR A 84 8.445 -2.570 -9.696 1.00 1.53 C ATOM 1318 O TYR A 84 8.737 -1.553 -10.292 1.00 1.85 O ATOM 1319 CB TYR A 84 6.940 -4.294 -10.582 1.00 1.54 C ATOM 1320 CG TYR A 84 6.395 -3.452 -11.719 1.00 1.85 C ATOM 1321 CD1 TYR A 84 6.553 -3.893 -13.039 1.00 2.10 C ATOM 1322 CD2 TYR A 84 5.735 -2.242 -11.465 1.00 2.50 C ATOM 1323 CE1 TYR A 84 6.055 -3.130 -14.100 1.00 2.45 C ATOM 1324 CE2 TYR A 84 5.236 -1.479 -12.527 1.00 2.86 C ATOM 1325 CZ TYR A 84 5.396 -1.922 -13.845 1.00 2.63 C ATOM 1326 OH TYR A 84 4.905 -1.169 -14.891 1.00 3.06 O ATOM 0 H TYR A 84 8.397 -5.653 -9.047 1.00 1.58 H new ATOM 0 HA TYR A 84 8.942 -3.974 -11.293 1.00 1.68 H new ATOM 0 HB2 TYR A 84 6.844 -5.353 -10.821 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.362 -4.118 -9.675 1.00 1.54 H new ATOM 0 HD1 TYR A 84 7.061 -4.825 -13.238 1.00 2.10 H new ATOM 0 HD2 TYR A 84 5.611 -1.898 -10.449 1.00 2.50 H new ATOM 0 HE1 TYR A 84 6.179 -3.473 -15.117 1.00 2.45 H new ATOM 0 HE2 TYR A 84 4.727 -0.547 -12.329 1.00 2.86 H new ATOM 0 HH TYR A 84 4.475 -0.361 -14.539 1.00 3.06 H new ATOM 1336 N MET A 85 8.078 -2.591 -8.457 1.00 1.09 N ATOM 1337 CA MET A 85 7.990 -1.350 -7.663 1.00 1.02 C ATOM 1338 C MET A 85 9.236 -1.142 -6.809 1.00 0.89 C ATOM 1339 O MET A 85 10.352 -1.154 -7.290 1.00 1.10 O ATOM 1340 CB MET A 85 6.743 -1.401 -6.784 1.00 0.95 C ATOM 1341 CG MET A 85 5.512 -1.416 -7.686 1.00 1.24 C ATOM 1342 SD MET A 85 4.006 -1.306 -6.696 1.00 1.93 S ATOM 1343 CE MET A 85 2.845 -1.433 -8.077 1.00 2.45 C ATOM 0 H MET A 85 7.829 -3.439 -7.948 1.00 1.09 H new ATOM 0 HA MET A 85 7.921 -0.505 -8.348 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.761 -2.290 -6.153 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.714 -0.538 -6.118 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.556 -0.582 -8.386 1.00 1.24 H new ATOM 0 HG3 MET A 85 5.499 -2.330 -8.279 1.00 1.24 H new ATOM 0 HE1 MET A 85 1.996 -0.773 -7.900 1.00 2.45 H new ATOM 0 HE2 MET A 85 3.345 -1.142 -9.001 1.00 2.45 H new ATOM 0 HE3 MET A 85 2.493 -2.461 -8.163 1.00 2.45 H new ATOM 1353 N LYS A 86 9.041 -0.939 -5.544 1.00 0.69 N ATOM 1354 CA LYS A 86 10.158 -0.709 -4.597 1.00 0.66 C ATOM 1355 C LYS A 86 11.085 0.414 -5.061 1.00 0.77 C ATOM 1356 O LYS A 86 12.212 0.496 -4.619 1.00 0.83 O ATOM 1357 CB LYS A 86 10.959 -1.986 -4.429 1.00 0.81 C ATOM 1358 CG LYS A 86 10.068 -3.034 -3.787 1.00 0.90 C ATOM 1359 CD LYS A 86 10.893 -4.289 -3.506 1.00 1.28 C ATOM 1360 CE LYS A 86 9.997 -5.340 -2.881 1.00 1.33 C ATOM 1361 NZ LYS A 86 10.129 -6.608 -3.623 1.00 1.49 N ATOM 0 H LYS A 86 8.118 -0.922 -5.111 1.00 0.69 H new ATOM 0 HA LYS A 86 9.721 -0.409 -3.644 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.320 -2.337 -5.396 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.836 -1.804 -3.809 1.00 0.81 H new ATOM 0 HG2 LYS A 86 9.642 -2.649 -2.860 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.233 -3.273 -4.446 1.00 0.90 H new ATOM 0 HD2 LYS A 86 11.329 -4.668 -4.431 1.00 1.28 H new ATOM 0 HD3 LYS A 86 11.720 -4.053 -2.837 1.00 1.28 H new ATOM 0 HE2 LYS A 86 10.268 -5.489 -1.836 1.00 1.33 H new ATOM 0 HE3 LYS A 86 8.960 -5.004 -2.896 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 10.203 -7.398 -2.950 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 9.294 -6.745 -4.227 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 10.983 -6.576 -4.215 1.00 1.49 H new ATOM 1375 N GLU A 87 10.647 1.309 -5.906 1.00 0.95 N ATOM 1376 CA GLU A 87 11.577 2.407 -6.290 1.00 1.19 C ATOM 1377 C GLU A 87 11.801 3.298 -5.066 1.00 1.21 C ATOM 1378 O GLU A 87 12.866 3.834 -4.870 1.00 1.60 O ATOM 1379 CB GLU A 87 10.961 3.235 -7.421 1.00 1.64 C ATOM 1380 CG GLU A 87 10.821 2.365 -8.672 1.00 1.85 C ATOM 1381 CD GLU A 87 10.270 3.210 -9.822 1.00 2.10 C ATOM 1382 OE1 GLU A 87 9.873 4.335 -9.568 1.00 2.69 O ATOM 1383 OE2 GLU A 87 10.253 2.717 -10.938 1.00 2.30 O ATOM 0 H GLU A 87 9.721 1.330 -6.333 1.00 0.95 H new ATOM 0 HA GLU A 87 12.525 1.992 -6.633 1.00 1.19 H new ATOM 0 HB2 GLU A 87 9.985 3.615 -7.118 1.00 1.64 H new ATOM 0 HB3 GLU A 87 11.588 4.101 -7.635 1.00 1.64 H new ATOM 0 HG2 GLU A 87 11.789 1.945 -8.946 1.00 1.85 H new ATOM 0 HG3 GLU A 87 10.155 1.526 -8.472 1.00 1.85 H new