USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 90:sc= 0.123 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0.121 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.264 X(o=0.26,f=-0.094) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -3.61! USER MOD Set 3.2: A 62 THR OG1 : rot -94:sc= 0.664 USER MOD Set 4.1: A 14 THR OG1 : rot 73:sc= 0.954 USER MOD Set 4.2: A 17 THR OG1 : rot 35:sc= 0.273 USER MOD Single : A 0 SER N :NH3+ -121:sc= -1.2 (180deg=-3.71!) USER MOD Single : A 0 SER OG : rot 180:sc= -0.195 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.825 K(o=-0.82,f=-0.22) USER MOD Single : A 16 HIS : no HE2:sc= -0.806 K(o=-0.81,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.086 (180deg=-0.866) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 8:sc= 0.64 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.218 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.56 K(o=-1.6,f=-9.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.67! C(o=-8.7!,f=-9.3!) USER MOD Single : A 86 SER OG : rot -118:sc= 0.0131 USER MOD Single : A 89 SER OG : rot -132:sc= 0.531 USER MOD Single : A 92 SER OG : rot -80:sc= -0.45! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 65:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -22.399 -3.416 -4.517 1.00 2.05 N ATOM 2 CA SER A 0 -22.542 -4.767 -5.134 1.00 1.55 C ATOM 3 C SER A 0 -21.239 -5.216 -5.793 1.00 1.39 C ATOM 4 O SER A 0 -20.646 -6.217 -5.395 1.00 1.50 O ATOM 5 CB SER A 0 -23.681 -4.730 -6.164 1.00 2.08 C ATOM 6 OG SER A 0 -23.410 -5.575 -7.270 1.00 2.74 O ATOM 0 H1 SER A 0 -22.604 -3.476 -3.499 1.00 2.05 H new ATOM 0 H2 SER A 0 -21.427 -3.073 -4.655 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.066 -2.757 -4.966 1.00 2.05 H new ATOM 0 HA SER A 0 -22.777 -5.489 -4.352 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.612 -5.038 -5.689 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.824 -3.707 -6.513 1.00 2.08 H new ATOM 0 HG SER A 0 -24.154 -5.530 -7.906 1.00 2.74 H new ATOM 12 N PRO A 1 -20.775 -4.479 -6.814 1.00 1.23 N ATOM 13 CA PRO A 1 -19.540 -4.808 -7.528 1.00 1.19 C ATOM 14 C PRO A 1 -18.292 -4.392 -6.756 1.00 1.24 C ATOM 15 O PRO A 1 -17.229 -4.979 -6.940 1.00 2.06 O ATOM 16 CB PRO A 1 -19.667 -3.997 -8.814 1.00 1.18 C ATOM 17 CG PRO A 1 -20.444 -2.793 -8.406 1.00 1.26 C ATOM 18 CD PRO A 1 -21.418 -3.266 -7.360 1.00 1.24 C ATOM 0 HA PRO A 1 -19.427 -5.881 -7.685 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -18.690 -3.725 -9.212 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.183 -4.560 -9.592 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -19.787 -2.021 -8.007 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -20.966 -2.358 -9.258 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -21.575 -2.513 -6.588 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -22.394 -3.489 -7.792 1.00 1.24 H new ATOM 26 N ILE A 2 -18.447 -3.374 -5.901 1.00 0.68 N ATOM 27 CA ILE A 2 -17.356 -2.834 -5.076 1.00 0.61 C ATOM 28 C ILE A 2 -16.123 -2.468 -5.905 1.00 0.57 C ATOM 29 O ILE A 2 -15.812 -3.102 -6.911 1.00 0.63 O ATOM 30 CB ILE A 2 -16.945 -3.797 -3.935 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.012 -3.078 -2.947 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.275 -5.046 -4.494 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.399 -3.985 -1.896 1.00 0.56 C ATOM 0 H ILE A 2 -19.338 -2.898 -5.760 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.756 -1.923 -4.631 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.845 -4.108 -3.404 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.210 -2.596 -3.507 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.571 -2.287 -2.447 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.995 -5.707 -3.674 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.967 -5.564 -5.158 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.382 -4.762 -5.051 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.755 -3.399 -1.240 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.191 -4.447 -1.308 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.810 -4.761 -2.384 1.00 0.56 H new ATOM 45 N ASP A 3 -15.420 -1.429 -5.470 1.00 0.55 N ATOM 46 CA ASP A 3 -14.223 -0.971 -6.164 1.00 0.54 C ATOM 47 C ASP A 3 -13.161 -0.526 -5.159 1.00 0.47 C ATOM 48 O ASP A 3 -13.415 0.343 -4.326 1.00 0.49 O ATOM 49 CB ASP A 3 -14.564 0.187 -7.105 1.00 0.61 C ATOM 50 CG ASP A 3 -16.051 0.484 -7.140 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.790 -0.263 -7.816 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.476 1.466 -6.495 1.00 2.00 O ATOM 0 H ASP A 3 -15.659 -0.888 -4.639 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.828 -1.800 -6.751 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.025 1.080 -6.788 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.220 -0.053 -8.111 1.00 0.61 H new ATOM 57 N PRO A 4 -11.953 -1.115 -5.220 1.00 0.44 N ATOM 58 CA PRO A 4 -10.865 -0.766 -4.305 1.00 0.41 C ATOM 59 C PRO A 4 -10.242 0.588 -4.637 1.00 0.38 C ATOM 60 O PRO A 4 -10.489 1.148 -5.706 1.00 0.43 O ATOM 61 CB PRO A 4 -9.857 -1.896 -4.511 1.00 0.45 C ATOM 62 CG PRO A 4 -10.080 -2.339 -5.915 1.00 0.50 C ATOM 63 CD PRO A 4 -11.551 -2.163 -6.177 1.00 0.50 C ATOM 0 HA PRO A 4 -11.207 -0.670 -3.275 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.835 -1.549 -4.361 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.023 -2.711 -3.806 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.486 -1.746 -6.610 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.782 -3.379 -6.048 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.741 -1.859 -7.207 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.101 -3.089 -6.011 1.00 0.50 H new ATOM 71 N PRO A 5 -9.428 1.134 -3.719 1.00 0.37 N ATOM 72 CA PRO A 5 -8.774 2.433 -3.913 1.00 0.39 C ATOM 73 C PRO A 5 -8.013 2.520 -5.236 1.00 0.38 C ATOM 74 O PRO A 5 -7.898 1.536 -5.966 1.00 0.47 O ATOM 75 CB PRO A 5 -7.809 2.531 -2.731 1.00 0.46 C ATOM 76 CG PRO A 5 -8.379 1.634 -1.687 1.00 0.71 C ATOM 77 CD PRO A 5 -9.090 0.529 -2.417 1.00 0.43 C ATOM 0 HA PRO A 5 -9.500 3.245 -3.955 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.805 2.216 -3.015 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.731 3.556 -2.370 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.592 1.233 -1.048 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.068 2.179 -1.041 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.453 -0.348 -2.536 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.983 0.205 -1.882 1.00 0.43 H new ATOM 85 N GLY A 6 -7.499 3.711 -5.537 1.00 0.37 N ATOM 86 CA GLY A 6 -6.758 3.918 -6.769 1.00 0.39 C ATOM 87 C GLY A 6 -5.380 3.282 -6.740 1.00 0.42 C ATOM 88 O GLY A 6 -4.988 2.678 -5.742 1.00 0.66 O ATOM 0 H GLY A 6 -7.584 4.538 -4.947 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.326 3.506 -7.603 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.656 4.988 -6.951 1.00 0.39 H new ATOM 92 N LYS A 7 -4.643 3.422 -7.840 1.00 0.41 N ATOM 93 CA LYS A 7 -3.299 2.860 -7.940 1.00 0.44 C ATOM 94 C LYS A 7 -2.350 3.542 -6.950 1.00 0.37 C ATOM 95 O LYS A 7 -2.127 4.749 -7.038 1.00 0.42 O ATOM 96 CB LYS A 7 -2.764 3.028 -9.364 1.00 0.54 C ATOM 97 CG LYS A 7 -1.314 2.601 -9.519 1.00 0.64 C ATOM 98 CD LYS A 7 -1.177 1.405 -10.448 1.00 1.01 C ATOM 99 CE LYS A 7 0.260 0.918 -10.514 1.00 0.95 C ATOM 100 NZ LYS A 7 0.961 1.423 -11.728 1.00 1.52 N ATOM 0 H LYS A 7 -4.954 3.920 -8.674 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.354 1.799 -7.697 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.382 2.445 -10.047 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.861 4.073 -9.660 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.729 3.434 -9.909 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.901 2.352 -8.541 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.821 0.597 -10.101 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.517 1.677 -11.447 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.796 1.245 -9.623 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.275 -0.172 -10.513 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.939 1.069 -11.737 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.465 1.090 -12.579 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.970 2.463 -11.717 1.00 1.52 H new ATOM 114 N PRO A 8 -1.779 2.788 -5.989 1.00 0.34 N ATOM 115 CA PRO A 8 -0.860 3.350 -4.988 1.00 0.32 C ATOM 116 C PRO A 8 0.479 3.770 -5.587 1.00 0.33 C ATOM 117 O PRO A 8 1.135 2.994 -6.282 1.00 0.44 O ATOM 118 CB PRO A 8 -0.684 2.209 -3.969 1.00 0.39 C ATOM 119 CG PRO A 8 -1.762 1.224 -4.302 1.00 0.44 C ATOM 120 CD PRO A 8 -1.974 1.344 -5.780 1.00 0.41 C ATOM 0 HA PRO A 8 -1.255 4.264 -4.544 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.304 1.756 -4.050 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.784 2.574 -2.947 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.465 0.211 -4.029 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.678 1.446 -3.755 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.259 0.747 -6.347 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.970 1.017 -6.079 1.00 0.41 H new ATOM 128 N VAL A 9 0.869 5.014 -5.316 1.00 0.34 N ATOM 129 CA VAL A 9 2.121 5.559 -5.829 1.00 0.38 C ATOM 130 C VAL A 9 2.926 6.249 -4.722 1.00 0.34 C ATOM 131 O VAL A 9 2.500 7.273 -4.183 1.00 0.35 O ATOM 132 CB VAL A 9 1.851 6.563 -6.968 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.180 7.822 -6.437 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.140 6.905 -7.700 1.00 0.53 C ATOM 0 H VAL A 9 0.333 5.664 -4.742 1.00 0.34 H new ATOM 0 HA VAL A 9 2.705 4.723 -6.214 1.00 0.38 H new ATOM 0 HB VAL A 9 1.170 6.094 -7.678 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.001 8.514 -7.260 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.231 7.559 -5.970 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.828 8.296 -5.700 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.927 7.615 -8.500 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.849 7.348 -7.001 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.569 5.997 -8.125 1.00 0.53 H new ATOM 144 N PRO A 10 4.100 5.697 -4.359 1.00 0.34 N ATOM 145 CA PRO A 10 4.944 6.265 -3.311 1.00 0.32 C ATOM 146 C PRO A 10 5.147 7.774 -3.453 1.00 0.37 C ATOM 147 O PRO A 10 5.806 8.238 -4.384 1.00 0.64 O ATOM 148 CB PRO A 10 6.269 5.539 -3.481 1.00 0.38 C ATOM 149 CG PRO A 10 5.904 4.226 -4.080 1.00 0.39 C ATOM 150 CD PRO A 10 4.685 4.475 -4.930 1.00 0.42 C ATOM 0 HA PRO A 10 4.490 6.137 -2.329 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.946 6.096 -4.129 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.776 5.411 -2.525 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.723 3.831 -4.681 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.694 3.489 -3.304 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.950 4.611 -5.979 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.988 3.639 -4.883 1.00 0.42 H new ATOM 158 N LEU A 11 4.586 8.529 -2.515 1.00 0.34 N ATOM 159 CA LEU A 11 4.701 9.974 -2.498 1.00 0.43 C ATOM 160 C LEU A 11 6.114 10.349 -2.050 1.00 0.43 C ATOM 161 O LEU A 11 6.712 11.310 -2.535 1.00 0.57 O ATOM 162 CB LEU A 11 3.615 10.523 -1.557 1.00 0.56 C ATOM 163 CG LEU A 11 4.011 11.657 -0.616 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.204 12.942 -1.398 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.949 11.824 0.461 1.00 1.12 C ATOM 0 H LEU A 11 4.037 8.150 -1.744 1.00 0.34 H new ATOM 0 HA LEU A 11 4.548 10.410 -3.485 1.00 0.43 H new ATOM 0 HB2 LEU A 11 2.782 10.868 -2.169 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.244 9.696 -0.951 1.00 0.56 H new ATOM 0 HG LEU A 11 4.957 11.413 -0.132 1.00 0.92 H new ATOM 0 HD11 LEU A 11 4.486 13.744 -0.716 1.00 1.64 H new ATOM 0 HD12 LEU A 11 4.991 12.802 -2.139 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.274 13.205 -1.902 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.235 12.635 1.131 1.00 1.12 H new ATOM 0 HD22 LEU A 11 1.992 12.059 -0.005 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.858 10.898 1.029 1.00 1.12 H new ATOM 177 N ASN A 12 6.630 9.546 -1.132 1.00 0.34 N ATOM 178 CA ASN A 12 7.971 9.707 -0.591 1.00 0.36 C ATOM 179 C ASN A 12 8.542 8.319 -0.349 1.00 0.37 C ATOM 180 O ASN A 12 7.784 7.375 -0.155 1.00 0.58 O ATOM 181 CB ASN A 12 7.949 10.515 0.709 1.00 0.42 C ATOM 182 CG ASN A 12 9.320 10.628 1.342 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.038 11.606 1.128 1.00 0.72 O ATOM 184 ND2 ASN A 12 9.691 9.624 2.127 1.00 0.71 N ATOM 0 H ASN A 12 6.123 8.754 -0.737 1.00 0.34 H new ATOM 0 HA ASN A 12 8.593 10.257 -1.297 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.562 11.514 0.506 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.264 10.045 1.414 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.604 9.643 2.582 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.063 8.834 2.276 1.00 0.71 H new ATOM 191 N ILE A 13 9.857 8.170 -0.382 1.00 0.38 N ATOM 192 CA ILE A 13 10.442 6.850 -0.181 1.00 0.43 C ATOM 193 C ILE A 13 11.742 6.889 0.613 1.00 0.53 C ATOM 194 O ILE A 13 12.573 7.780 0.438 1.00 0.75 O ATOM 195 CB ILE A 13 10.693 6.148 -1.526 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.129 7.168 -2.586 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.434 5.404 -1.958 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.190 6.608 -3.984 1.00 0.96 C ATOM 0 H ILE A 13 10.526 8.923 -0.541 1.00 0.38 H new ATOM 0 HA ILE A 13 9.713 6.287 0.402 1.00 0.43 H new ATOM 0 HB ILE A 13 11.499 5.423 -1.412 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.437 8.010 -2.572 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.111 7.558 -2.318 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.614 4.907 -2.911 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.174 4.660 -1.205 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.612 6.112 -2.067 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.506 7.389 -4.675 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.904 5.785 -4.016 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.204 6.244 -4.273 1.00 0.96 H new ATOM 210 N THR A 14 11.906 5.894 1.481 1.00 0.59 N ATOM 211 CA THR A 14 13.097 5.771 2.308 1.00 0.71 C ATOM 212 C THR A 14 13.517 4.306 2.398 1.00 0.79 C ATOM 213 O THR A 14 12.683 3.417 2.562 1.00 1.46 O ATOM 214 CB THR A 14 12.849 6.341 3.707 1.00 0.75 C ATOM 215 OG1 THR A 14 11.735 7.216 3.700 1.00 0.69 O ATOM 216 CG2 THR A 14 14.028 7.112 4.258 1.00 0.94 C ATOM 0 H THR A 14 11.219 5.155 1.628 1.00 0.59 H new ATOM 0 HA THR A 14 13.901 6.344 1.847 1.00 0.71 H new ATOM 0 HB THR A 14 12.671 5.474 4.344 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.910 6.695 3.607 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.784 7.488 5.252 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.895 6.455 4.321 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.255 7.950 3.599 1.00 0.94 H new ATOM 224 N ARG A 15 14.815 4.067 2.270 1.00 0.66 N ATOM 225 CA ARG A 15 15.367 2.711 2.313 1.00 0.67 C ATOM 226 C ARG A 15 14.746 1.846 3.416 1.00 0.71 C ATOM 227 O ARG A 15 14.750 0.620 3.314 1.00 1.19 O ATOM 228 CB ARG A 15 16.900 2.726 2.469 1.00 0.80 C ATOM 229 CG ARG A 15 17.490 4.034 2.984 1.00 0.96 C ATOM 230 CD ARG A 15 16.836 4.474 4.285 1.00 1.13 C ATOM 231 NE ARG A 15 17.671 5.411 5.029 1.00 1.43 N ATOM 232 CZ ARG A 15 18.753 5.055 5.714 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.131 3.785 5.747 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.460 5.969 6.365 1.00 1.90 N ATOM 0 H ARG A 15 15.514 4.798 2.134 1.00 0.66 H new ATOM 0 HA ARG A 15 15.109 2.261 1.354 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.187 1.924 3.149 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.349 2.500 1.502 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.562 3.913 3.139 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.362 4.812 2.231 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.875 4.939 4.068 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.634 3.599 4.903 1.00 1.13 H new ATOM 0 HE ARG A 15 17.409 6.397 5.023 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.591 3.079 5.246 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.962 3.514 6.273 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.174 6.948 6.341 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.290 5.693 6.890 1.00 1.90 H new ATOM 248 N HIS A 16 14.220 2.459 4.474 1.00 0.50 N ATOM 249 CA HIS A 16 13.623 1.683 5.563 1.00 0.54 C ATOM 250 C HIS A 16 12.136 1.980 5.746 1.00 0.57 C ATOM 251 O HIS A 16 11.437 1.251 6.450 1.00 0.97 O ATOM 252 CB HIS A 16 14.365 1.946 6.872 1.00 0.67 C ATOM 253 CG HIS A 16 15.698 1.264 6.957 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.461 1.208 8.103 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.406 0.599 6.008 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.579 0.527 7.820 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.594 0.134 6.562 1.00 0.86 N ATOM 0 H HIS A 16 14.193 3.471 4.602 1.00 0.50 H new ATOM 0 HA HIS A 16 13.717 0.632 5.290 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.508 3.020 6.989 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.744 1.615 7.704 1.00 0.67 H new ATOM 0 HD1 HIS A 16 16.218 1.613 9.007 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.095 0.454 4.984 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.367 0.326 8.531 1.00 1.02 H new ATOM 265 N THR A 17 11.652 3.044 5.120 1.00 0.43 N ATOM 266 CA THR A 17 10.246 3.416 5.231 1.00 0.42 C ATOM 267 C THR A 17 9.807 4.192 3.996 1.00 0.38 C ATOM 268 O THR A 17 10.424 5.192 3.635 1.00 0.56 O ATOM 269 CB THR A 17 10.019 4.259 6.489 1.00 0.56 C ATOM 270 OG1 THR A 17 10.788 5.447 6.442 1.00 0.65 O ATOM 271 CG2 THR A 17 10.377 3.531 7.768 1.00 0.68 C ATOM 0 H THR A 17 12.209 3.664 4.532 1.00 0.43 H new ATOM 0 HA THR A 17 9.650 2.506 5.305 1.00 0.42 H new ATOM 0 HB THR A 17 8.952 4.480 6.501 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.835 5.770 5.518 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.193 4.183 8.622 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.766 2.633 7.859 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.430 3.252 7.745 1.00 0.68 H new ATOM 279 N VAL A 18 8.747 3.732 3.342 1.00 0.27 N ATOM 280 CA VAL A 18 8.260 4.408 2.149 1.00 0.33 C ATOM 281 C VAL A 18 6.835 4.918 2.329 1.00 0.32 C ATOM 282 O VAL A 18 6.027 4.301 3.009 1.00 0.51 O ATOM 283 CB VAL A 18 8.349 3.509 0.898 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.730 2.882 0.776 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.252 2.465 0.853 1.00 0.80 C ATOM 0 H VAL A 18 8.215 2.905 3.614 1.00 0.27 H new ATOM 0 HA VAL A 18 8.914 5.267 1.996 1.00 0.33 H new ATOM 0 HB VAL A 18 8.193 4.151 0.031 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.767 2.253 -0.114 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.481 3.668 0.696 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.933 2.275 1.658 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.362 1.860 -0.047 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.323 1.824 1.732 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.280 2.959 0.842 1.00 0.80 H new ATOM 295 N THR A 19 6.542 6.052 1.714 1.00 0.27 N ATOM 296 CA THR A 19 5.222 6.661 1.801 1.00 0.24 C ATOM 297 C THR A 19 4.502 6.599 0.463 1.00 0.22 C ATOM 298 O THR A 19 5.042 7.037 -0.547 1.00 0.34 O ATOM 299 CB THR A 19 5.359 8.121 2.244 1.00 0.28 C ATOM 300 OG1 THR A 19 5.691 8.204 3.618 1.00 0.35 O ATOM 301 CG2 THR A 19 4.113 8.951 2.022 1.00 0.32 C ATOM 0 H THR A 19 7.207 6.575 1.144 1.00 0.27 H new ATOM 0 HA THR A 19 4.635 6.105 2.532 1.00 0.24 H new ATOM 0 HB THR A 19 6.154 8.526 1.618 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.775 9.145 3.878 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.291 9.972 2.361 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.866 8.959 0.960 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.284 8.521 2.584 1.00 0.32 H new ATOM 309 N LEU A 20 3.274 6.079 0.465 1.00 0.28 N ATOM 310 CA LEU A 20 2.492 6.000 -0.761 1.00 0.26 C ATOM 311 C LEU A 20 1.106 6.587 -0.571 1.00 0.28 C ATOM 312 O LEU A 20 0.450 6.390 0.456 1.00 0.40 O ATOM 313 CB LEU A 20 2.391 4.570 -1.320 1.00 0.33 C ATOM 314 CG LEU A 20 2.836 3.431 -0.400 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.297 3.586 -0.017 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.953 3.355 0.832 1.00 0.52 C ATOM 0 H LEU A 20 2.807 5.711 1.294 1.00 0.28 H new ATOM 0 HA LEU A 20 3.031 6.596 -1.498 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.354 4.390 -1.605 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.985 4.520 -2.232 1.00 0.33 H new ATOM 0 HG LEU A 20 2.730 2.493 -0.945 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.591 2.765 0.637 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.912 3.571 -0.916 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.438 4.533 0.504 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.289 2.538 1.471 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.014 4.294 1.382 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.921 3.178 0.530 1.00 0.52 H new ATOM 328 N LYS A 21 0.681 7.312 -1.593 1.00 0.25 N ATOM 329 CA LYS A 21 -0.621 7.956 -1.617 1.00 0.31 C ATOM 330 C LYS A 21 -1.402 7.449 -2.822 1.00 0.31 C ATOM 331 O LYS A 21 -0.805 7.000 -3.801 1.00 0.51 O ATOM 332 CB LYS A 21 -0.464 9.477 -1.691 1.00 0.40 C ATOM 333 CG LYS A 21 -1.786 10.221 -1.792 1.00 0.81 C ATOM 334 CD LYS A 21 -2.570 10.147 -0.492 1.00 0.95 C ATOM 335 CE LYS A 21 -3.407 11.398 -0.273 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.965 11.925 -1.548 1.00 1.84 N ATOM 0 H LYS A 21 1.234 7.471 -2.435 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.161 7.714 -0.702 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.071 9.822 -0.806 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.152 9.729 -2.554 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.599 11.264 -2.046 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.381 9.798 -2.601 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.219 9.272 -0.507 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -1.881 10.018 0.343 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.223 11.173 0.414 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.795 12.166 0.200 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.816 12.488 -1.348 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.255 12.524 -2.016 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.214 11.131 -2.172 1.00 1.84 H new ATOM 350 N TRP A 22 -2.723 7.508 -2.762 1.00 0.25 N ATOM 351 CA TRP A 22 -3.529 7.034 -3.878 1.00 0.24 C ATOM 352 C TRP A 22 -4.877 7.748 -3.953 1.00 0.24 C ATOM 353 O TRP A 22 -5.138 8.688 -3.203 1.00 0.40 O ATOM 354 CB TRP A 22 -3.726 5.524 -3.777 1.00 0.27 C ATOM 355 CG TRP A 22 -4.352 5.063 -2.501 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.646 4.697 -2.329 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.714 4.902 -1.224 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.864 4.324 -1.030 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.698 4.440 -0.328 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.416 5.105 -0.751 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.425 4.175 1.013 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.144 4.843 0.580 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.145 4.382 1.448 1.00 0.32 C ATOM 0 H TRP A 22 -3.252 7.872 -1.970 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.991 7.264 -4.798 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.347 5.195 -4.611 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.758 5.036 -3.889 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.397 4.699 -3.105 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.756 4.009 -0.647 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.639 5.460 -1.412 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.194 3.820 1.683 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.144 4.996 0.957 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.900 4.186 2.481 1.00 0.32 H new ATOM 374 N ALA A 23 -5.727 7.298 -4.875 1.00 0.31 N ATOM 375 CA ALA A 23 -7.044 7.897 -5.064 1.00 0.33 C ATOM 376 C ALA A 23 -8.138 7.114 -4.344 1.00 0.36 C ATOM 377 O ALA A 23 -7.920 5.997 -3.882 1.00 0.83 O ATOM 378 CB ALA A 23 -7.360 7.992 -6.548 1.00 0.36 C ATOM 0 H ALA A 23 -5.525 6.520 -5.503 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.018 8.896 -4.629 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.345 8.440 -6.682 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.610 8.610 -7.041 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.353 6.994 -6.986 1.00 0.36 H new ATOM 384 N LYS A 24 -9.318 7.716 -4.259 1.00 0.59 N ATOM 385 CA LYS A 24 -10.459 7.090 -3.602 1.00 0.61 C ATOM 386 C LYS A 24 -11.371 6.431 -4.632 1.00 0.59 C ATOM 387 O LYS A 24 -11.581 6.970 -5.718 1.00 0.69 O ATOM 388 CB LYS A 24 -11.237 8.138 -2.803 1.00 0.74 C ATOM 389 CG LYS A 24 -12.147 7.547 -1.741 1.00 1.21 C ATOM 390 CD LYS A 24 -13.482 7.122 -2.326 1.00 1.22 C ATOM 391 CE LYS A 24 -14.571 8.138 -2.028 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.648 7.564 -1.176 1.00 2.11 N ATOM 0 H LYS A 24 -9.510 8.643 -4.639 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.094 6.321 -2.921 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.530 8.816 -2.326 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.836 8.735 -3.491 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.660 6.687 -1.281 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.311 8.281 -0.952 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.384 6.998 -3.405 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.767 6.152 -1.918 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.134 9.002 -1.528 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.000 8.495 -2.964 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.371 8.289 -0.996 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.083 6.755 -1.664 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.243 7.246 -0.272 1.00 2.11 H new ATOM 406 N PRO A 25 -11.931 5.252 -4.309 1.00 0.56 N ATOM 407 CA PRO A 25 -12.823 4.532 -5.221 1.00 0.63 C ATOM 408 C PRO A 25 -13.888 5.441 -5.824 1.00 0.75 C ATOM 409 O PRO A 25 -13.973 6.621 -5.486 1.00 0.89 O ATOM 410 CB PRO A 25 -13.464 3.479 -4.321 1.00 0.63 C ATOM 411 CG PRO A 25 -12.445 3.219 -3.267 1.00 0.71 C ATOM 412 CD PRO A 25 -11.742 4.530 -3.033 1.00 0.58 C ATOM 0 HA PRO A 25 -12.290 4.116 -6.076 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.398 3.840 -3.890 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.700 2.572 -4.877 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.915 2.860 -2.351 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.741 2.451 -3.587 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.176 5.075 -2.195 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.686 4.385 -2.806 1.00 0.58 H new ATOM 420 N GLU A 26 -14.699 4.888 -6.721 1.00 0.85 N ATOM 421 CA GLU A 26 -15.752 5.662 -7.370 1.00 1.05 C ATOM 422 C GLU A 26 -17.133 5.063 -7.118 1.00 0.95 C ATOM 423 O GLU A 26 -18.132 5.782 -7.098 1.00 1.12 O ATOM 424 CB GLU A 26 -15.496 5.746 -8.875 1.00 1.29 C ATOM 425 CG GLU A 26 -14.031 5.926 -9.238 1.00 1.83 C ATOM 426 CD GLU A 26 -13.804 5.947 -10.736 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.225 6.928 -11.386 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.208 4.983 -11.261 1.00 2.53 O ATOM 0 H GLU A 26 -14.648 3.912 -7.014 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.734 6.663 -6.938 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.869 4.838 -9.349 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.068 6.578 -9.286 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.664 6.857 -8.805 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.448 5.117 -8.797 1.00 1.83 H new ATOM 435 N TYR A 27 -17.193 3.747 -6.937 1.00 0.85 N ATOM 436 CA TYR A 27 -18.467 3.078 -6.703 1.00 0.84 C ATOM 437 C TYR A 27 -18.551 2.482 -5.297 1.00 0.86 C ATOM 438 O TYR A 27 -19.290 2.980 -4.447 1.00 1.37 O ATOM 439 CB TYR A 27 -18.687 1.985 -7.750 1.00 0.86 C ATOM 440 CG TYR A 27 -20.139 1.624 -7.952 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.016 2.507 -8.568 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.633 0.399 -7.525 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.346 2.179 -8.753 1.00 1.28 C ATOM 444 CE2 TYR A 27 -21.959 0.062 -7.706 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.813 0.956 -8.320 1.00 1.19 C ATOM 446 OH TYR A 27 -24.135 0.624 -8.504 1.00 1.35 O ATOM 0 H TYR A 27 -16.382 3.128 -6.948 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.252 3.829 -6.789 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.268 2.315 -8.701 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.138 1.092 -7.452 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.653 3.466 -8.908 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -19.968 -0.302 -7.043 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.016 2.877 -9.234 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.327 -0.896 -7.369 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.300 -0.272 -8.143 1.00 1.35 H new ATOM 456 N THR A 28 -17.799 1.412 -5.060 1.00 0.65 N ATOM 457 CA THR A 28 -17.800 0.749 -3.760 1.00 0.61 C ATOM 458 C THR A 28 -19.222 0.454 -3.299 1.00 0.66 C ATOM 459 O THR A 28 -19.567 0.669 -2.138 1.00 0.81 O ATOM 460 CB THR A 28 -17.085 1.607 -2.718 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.803 2.802 -2.472 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.679 1.992 -3.121 1.00 0.79 C ATOM 0 H THR A 28 -17.181 0.985 -5.751 1.00 0.65 H new ATOM 0 HA THR A 28 -17.267 -0.195 -3.868 1.00 0.61 H new ATOM 0 HB THR A 28 -17.032 0.987 -1.823 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.667 2.766 -2.933 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.229 2.600 -2.336 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.083 1.091 -3.268 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.710 2.562 -4.049 1.00 0.79 H new ATOM 470 N GLY A 29 -20.043 -0.042 -4.220 1.00 0.75 N ATOM 471 CA GLY A 29 -21.420 -0.363 -3.893 1.00 0.80 C ATOM 472 C GLY A 29 -22.124 0.770 -3.168 1.00 0.85 C ATOM 473 O GLY A 29 -22.701 1.655 -3.800 1.00 1.01 O ATOM 0 H GLY A 29 -19.779 -0.227 -5.188 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.963 -0.597 -4.809 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.443 -1.258 -3.271 1.00 0.80 H new ATOM 477 N GLY A 30 -22.071 0.746 -1.840 1.00 0.83 N ATOM 478 CA GLY A 30 -22.699 1.781 -1.042 1.00 0.89 C ATOM 479 C GLY A 30 -21.956 1.975 0.258 1.00 0.85 C ATOM 480 O GLY A 30 -22.547 2.285 1.293 1.00 0.98 O ATOM 0 H GLY A 30 -21.600 0.021 -1.299 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.717 2.717 -1.600 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.735 1.512 -0.838 1.00 0.89 H new ATOM 484 N PHE A 31 -20.647 1.769 0.192 1.00 0.73 N ATOM 485 CA PHE A 31 -19.777 1.891 1.350 1.00 0.69 C ATOM 486 C PHE A 31 -18.838 3.087 1.210 1.00 0.67 C ATOM 487 O PHE A 31 -18.816 3.753 0.174 1.00 0.74 O ATOM 488 CB PHE A 31 -18.955 0.609 1.519 1.00 0.63 C ATOM 489 CG PHE A 31 -19.595 -0.627 0.937 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.681 -1.222 1.561 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.109 -1.190 -0.233 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.269 -2.354 1.029 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.693 -2.322 -0.770 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.777 -2.905 -0.133 1.00 0.83 C ATOM 0 H PHE A 31 -20.160 1.513 -0.667 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.402 2.046 2.229 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.981 0.753 1.051 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.777 0.444 2.582 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.072 -0.796 2.473 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.264 -0.739 -0.731 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.115 -2.807 1.525 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.306 -2.751 -1.683 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.235 -3.791 -0.548 1.00 0.83 H new ATOM 504 N LYS A 32 -18.067 3.350 2.260 1.00 0.68 N ATOM 505 CA LYS A 32 -17.126 4.468 2.262 1.00 0.72 C ATOM 506 C LYS A 32 -15.701 4.020 2.615 1.00 0.66 C ATOM 507 O LYS A 32 -14.741 4.744 2.357 1.00 0.74 O ATOM 508 CB LYS A 32 -17.595 5.541 3.251 1.00 0.86 C ATOM 509 CG LYS A 32 -16.600 6.673 3.453 1.00 1.38 C ATOM 510 CD LYS A 32 -16.973 7.536 4.648 1.00 1.38 C ATOM 511 CE LYS A 32 -16.139 7.186 5.870 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.325 8.172 6.970 1.00 2.26 N ATOM 0 H LYS A 32 -18.074 2.805 3.122 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.101 4.880 1.253 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.538 5.959 2.898 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.795 5.071 4.214 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.602 6.260 3.599 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.562 7.290 2.555 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.830 8.587 4.398 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.030 7.404 4.878 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.412 6.192 6.224 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.086 7.147 5.592 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.740 7.898 7.785 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.040 9.117 6.641 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.325 8.191 7.253 1.00 2.26 H new ATOM 526 N ILE A 33 -15.568 2.833 3.208 1.00 0.67 N ATOM 527 CA ILE A 33 -14.261 2.307 3.598 1.00 0.66 C ATOM 528 C ILE A 33 -13.696 3.088 4.781 1.00 0.80 C ATOM 529 O ILE A 33 -13.658 4.318 4.761 1.00 1.71 O ATOM 530 CB ILE A 33 -13.248 2.351 2.437 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.795 1.618 1.211 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.920 1.747 2.869 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.808 1.545 0.065 1.00 0.91 C ATOM 0 H ILE A 33 -16.351 2.218 3.429 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.415 1.266 3.881 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.084 3.394 2.165 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.081 0.607 1.499 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.700 2.121 0.870 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.215 1.785 2.038 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.520 2.312 3.711 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.072 0.710 3.168 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.260 1.012 -0.772 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.540 2.554 -0.249 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.912 1.016 0.390 1.00 0.91 H new ATOM 545 N THR A 34 -13.264 2.368 5.814 1.00 0.72 N ATOM 546 CA THR A 34 -12.710 3.003 7.007 1.00 0.73 C ATOM 547 C THR A 34 -11.330 2.444 7.355 1.00 0.59 C ATOM 548 O THR A 34 -10.914 2.485 8.511 1.00 0.76 O ATOM 549 CB THR A 34 -13.652 2.806 8.195 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.425 1.551 8.811 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.117 2.873 7.819 1.00 1.15 C ATOM 0 H THR A 34 -13.287 1.349 5.849 1.00 0.72 H new ATOM 0 HA THR A 34 -12.604 4.066 6.792 1.00 0.73 H new ATOM 0 HB THR A 34 -13.431 3.628 8.876 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.567 1.570 9.285 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.728 2.725 8.709 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.337 3.849 7.386 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.342 2.094 7.091 1.00 1.15 H new ATOM 559 N SER A 35 -10.623 1.925 6.356 1.00 0.49 N ATOM 560 CA SER A 35 -9.293 1.367 6.582 1.00 0.47 C ATOM 561 C SER A 35 -8.678 0.865 5.285 1.00 0.45 C ATOM 562 O SER A 35 -9.288 0.082 4.560 1.00 0.72 O ATOM 563 CB SER A 35 -9.356 0.225 7.592 1.00 0.64 C ATOM 564 OG SER A 35 -8.057 -0.185 7.981 1.00 1.58 O ATOM 0 H SER A 35 -10.945 1.879 5.389 1.00 0.49 H new ATOM 0 HA SER A 35 -8.665 2.165 6.978 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.918 0.543 8.470 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.892 -0.619 7.158 1.00 0.64 H new ATOM 0 HG SER A 35 -8.125 -0.916 8.630 1.00 1.58 H new ATOM 570 N TYR A 36 -7.466 1.322 5.000 1.00 0.27 N ATOM 571 CA TYR A 36 -6.767 0.922 3.790 1.00 0.28 C ATOM 572 C TYR A 36 -5.520 0.107 4.118 1.00 0.33 C ATOM 573 O TYR A 36 -4.457 0.665 4.389 1.00 0.68 O ATOM 574 CB TYR A 36 -6.394 2.158 2.986 1.00 0.29 C ATOM 575 CG TYR A 36 -7.589 2.971 2.558 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.397 3.600 3.495 1.00 0.57 C ATOM 577 CD2 TYR A 36 -7.906 3.107 1.221 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.493 4.345 3.104 1.00 0.67 C ATOM 579 CE2 TYR A 36 -8.999 3.850 0.818 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.789 4.467 1.763 1.00 0.60 C ATOM 581 OH TYR A 36 -10.879 5.208 1.368 1.00 0.76 O ATOM 0 H TYR A 36 -6.947 1.971 5.592 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.430 0.291 3.198 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.731 2.785 3.582 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.835 1.853 2.102 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.166 3.506 4.546 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.289 2.624 0.478 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -10.114 4.829 3.844 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.233 3.947 -0.232 1.00 0.64 H new ATOM 0 HH TYR A 36 -10.947 5.194 0.390 1.00 0.76 H new ATOM 591 N ILE A 37 -5.662 -1.214 4.092 1.00 0.24 N ATOM 592 CA ILE A 37 -4.548 -2.110 4.387 1.00 0.26 C ATOM 593 C ILE A 37 -3.736 -2.404 3.131 1.00 0.33 C ATOM 594 O ILE A 37 -4.216 -3.060 2.207 1.00 0.70 O ATOM 595 CB ILE A 37 -5.032 -3.441 4.999 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.272 -3.207 5.877 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.906 -4.081 5.803 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.596 -4.347 6.820 1.00 1.14 C ATOM 0 H ILE A 37 -6.537 -1.689 3.870 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.918 -1.599 5.115 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.313 -4.122 4.196 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.122 -2.300 6.462 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.132 -3.031 5.231 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.254 -5.020 6.233 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.056 -4.274 5.149 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.602 -3.407 6.604 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.484 -4.098 7.400 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.781 -5.254 6.244 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.756 -4.511 7.495 1.00 1.14 H new ATOM 610 N VAL A 38 -2.506 -1.906 3.107 1.00 0.36 N ATOM 611 CA VAL A 38 -1.615 -2.101 1.967 1.00 0.42 C ATOM 612 C VAL A 38 -0.573 -3.181 2.261 1.00 0.35 C ATOM 613 O VAL A 38 0.264 -3.030 3.153 1.00 0.48 O ATOM 614 CB VAL A 38 -0.919 -0.766 1.581 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.498 -0.011 2.831 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.277 -0.973 0.651 1.00 0.51 C ATOM 0 H VAL A 38 -2.100 -1.361 3.868 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.219 -2.434 1.123 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.648 -0.173 1.029 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.012 0.922 2.546 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.377 0.208 3.437 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.197 -0.621 3.408 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.725 -0.008 0.414 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.016 -1.605 1.144 1.00 0.51 H new ATOM 0 HG23 VAL A 38 -0.056 -1.454 -0.269 1.00 0.51 H new ATOM 626 N GLU A 39 -0.628 -4.266 1.494 1.00 0.30 N ATOM 627 CA GLU A 39 0.311 -5.369 1.657 1.00 0.33 C ATOM 628 C GLU A 39 1.622 -5.041 0.953 1.00 0.32 C ATOM 629 O GLU A 39 1.647 -4.244 0.016 1.00 0.43 O ATOM 630 CB GLU A 39 -0.280 -6.666 1.097 1.00 0.42 C ATOM 631 CG GLU A 39 -1.710 -6.924 1.546 1.00 0.51 C ATOM 632 CD GLU A 39 -1.867 -8.246 2.270 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.049 -8.531 3.171 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.809 -8.996 1.939 1.00 1.67 O ATOM 0 H GLU A 39 -1.315 -4.404 0.752 1.00 0.30 H new ATOM 0 HA GLU A 39 0.503 -5.510 2.721 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.250 -6.629 0.008 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.346 -7.504 1.405 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.032 -6.115 2.202 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.367 -6.910 0.677 1.00 0.51 H new ATOM 641 N LYS A 40 2.709 -5.649 1.406 1.00 0.28 N ATOM 642 CA LYS A 40 4.013 -5.400 0.805 1.00 0.31 C ATOM 643 C LYS A 40 4.706 -6.697 0.421 1.00 0.29 C ATOM 644 O LYS A 40 4.563 -7.719 1.092 1.00 0.35 O ATOM 645 CB LYS A 40 4.903 -4.609 1.763 1.00 0.43 C ATOM 646 CG LYS A 40 4.911 -5.157 3.178 1.00 0.92 C ATOM 647 CD LYS A 40 6.140 -4.696 3.943 1.00 1.14 C ATOM 648 CE LYS A 40 6.341 -5.505 5.214 1.00 1.65 C ATOM 649 NZ LYS A 40 7.335 -4.873 6.123 1.00 1.97 N ATOM 0 H LYS A 40 2.716 -6.313 2.181 1.00 0.28 H new ATOM 0 HA LYS A 40 3.848 -4.817 -0.101 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.923 -4.605 1.378 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.567 -3.572 1.786 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.012 -4.832 3.701 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.886 -6.246 3.148 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.021 -4.789 3.308 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.038 -3.640 4.195 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.388 -5.608 5.733 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.673 -6.510 4.956 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.443 -5.455 6.978 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.251 -4.798 5.637 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.006 -3.923 6.391 1.00 1.97 H new ATOM 663 N ARG A 41 5.468 -6.637 -0.664 1.00 0.36 N ATOM 664 CA ARG A 41 6.203 -7.791 -1.150 1.00 0.40 C ATOM 665 C ARG A 41 7.700 -7.526 -1.074 1.00 0.41 C ATOM 666 O ARG A 41 8.240 -6.729 -1.847 1.00 0.43 O ATOM 667 CB ARG A 41 5.796 -8.120 -2.590 1.00 0.46 C ATOM 668 CG ARG A 41 6.415 -9.403 -3.124 1.00 0.58 C ATOM 669 CD ARG A 41 5.414 -10.219 -3.929 1.00 0.88 C ATOM 670 NE ARG A 41 5.168 -9.642 -5.249 1.00 0.95 N ATOM 671 CZ ARG A 41 4.524 -10.278 -6.224 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.063 -11.506 -6.029 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.340 -9.684 -7.395 1.00 1.44 N ATOM 0 H ARG A 41 5.591 -5.794 -1.225 1.00 0.36 H new ATOM 0 HA ARG A 41 5.963 -8.647 -0.520 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.710 -8.202 -2.641 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.084 -7.292 -3.237 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.273 -9.160 -3.750 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.787 -10.001 -2.292 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.785 -11.237 -4.043 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.474 -10.282 -3.381 1.00 0.88 H new ATOM 0 HE ARG A 41 5.509 -8.699 -5.433 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.202 -11.966 -5.129 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.570 -11.991 -6.779 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.692 -8.739 -7.549 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.846 -10.172 -8.142 1.00 1.44 H new ATOM 687 N ASP A 42 8.361 -8.194 -0.132 1.00 0.50 N ATOM 688 CA ASP A 42 9.798 -8.036 0.058 1.00 0.57 C ATOM 689 C ASP A 42 10.563 -8.759 -1.037 1.00 0.62 C ATOM 690 O ASP A 42 10.941 -9.920 -0.887 1.00 0.91 O ATOM 691 CB ASP A 42 10.219 -8.578 1.423 1.00 0.71 C ATOM 692 CG ASP A 42 9.069 -9.229 2.169 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.906 -9.029 1.759 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.332 -9.936 3.165 1.00 1.49 O ATOM 0 H ASP A 42 7.922 -8.851 0.513 1.00 0.50 H new ATOM 0 HA ASP A 42 10.032 -6.972 0.010 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.020 -9.305 1.290 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.624 -7.764 2.025 1.00 0.71 H new ATOM 699 N LEU A 43 10.784 -8.064 -2.140 1.00 0.63 N ATOM 700 CA LEU A 43 11.502 -8.634 -3.269 1.00 0.68 C ATOM 701 C LEU A 43 12.952 -8.935 -2.896 1.00 0.81 C ATOM 702 O LEU A 43 13.511 -8.308 -1.997 1.00 0.90 O ATOM 703 CB LEU A 43 11.444 -7.681 -4.460 1.00 0.62 C ATOM 704 CG LEU A 43 10.046 -7.151 -4.776 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.092 -6.163 -5.930 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.099 -8.299 -5.088 1.00 0.70 C ATOM 0 H LEU A 43 10.476 -7.102 -2.279 1.00 0.63 H new ATOM 0 HA LEU A 43 11.023 -9.573 -3.545 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.105 -6.836 -4.266 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.832 -8.194 -5.340 1.00 0.62 H new ATOM 0 HG LEU A 43 9.672 -6.627 -3.897 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.086 -5.799 -6.137 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.734 -5.323 -5.665 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.489 -6.657 -6.817 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.108 -7.903 -5.311 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.470 -8.853 -5.950 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.039 -8.965 -4.227 1.00 0.70 H new ATOM 718 N PRO A 44 13.587 -9.909 -3.579 1.00 0.92 N ATOM 719 CA PRO A 44 12.971 -10.683 -4.656 1.00 0.99 C ATOM 720 C PRO A 44 12.244 -11.930 -4.154 1.00 1.15 C ATOM 721 O PRO A 44 12.073 -12.896 -4.898 1.00 1.43 O ATOM 722 CB PRO A 44 14.175 -11.074 -5.503 1.00 1.15 C ATOM 723 CG PRO A 44 15.292 -11.229 -4.522 1.00 1.25 C ATOM 724 CD PRO A 44 14.981 -10.324 -3.351 1.00 1.08 C ATOM 0 HA PRO A 44 12.205 -10.117 -5.186 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.993 -12.001 -6.046 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.403 -10.309 -6.245 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.378 -12.266 -4.196 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.245 -10.958 -4.977 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.091 -10.848 -2.402 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.653 -9.466 -3.321 1.00 1.08 H new ATOM 732 N ASN A 45 11.821 -11.910 -2.892 1.00 1.14 N ATOM 733 CA ASN A 45 11.116 -13.052 -2.313 1.00 1.33 C ATOM 734 C ASN A 45 10.217 -12.629 -1.158 1.00 1.43 C ATOM 735 O ASN A 45 10.492 -12.940 0.001 1.00 2.42 O ATOM 736 CB ASN A 45 12.115 -14.107 -1.833 1.00 1.66 C ATOM 737 CG ASN A 45 13.205 -14.377 -2.850 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.988 -15.074 -3.841 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.388 -13.824 -2.609 1.00 1.89 N ATOM 0 H ASN A 45 11.952 -11.124 -2.256 1.00 1.14 H new ATOM 0 HA ASN A 45 10.486 -13.479 -3.094 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.568 -13.776 -0.899 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.584 -15.035 -1.619 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.161 -13.970 -3.258 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.524 -13.253 -1.775 1.00 1.89 H new ATOM 746 N GLY A 46 9.138 -11.925 -1.479 1.00 0.90 N ATOM 747 CA GLY A 46 8.213 -11.481 -0.455 1.00 1.12 C ATOM 748 C GLY A 46 7.072 -12.458 -0.258 1.00 0.76 C ATOM 749 O GLY A 46 7.166 -13.618 -0.658 1.00 0.96 O ATOM 0 H GLY A 46 8.888 -11.654 -2.430 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.748 -11.354 0.486 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.811 -10.505 -0.728 1.00 1.12 H new ATOM 753 N ARG A 47 5.993 -11.991 0.359 1.00 0.80 N ATOM 754 CA ARG A 47 4.832 -12.842 0.604 1.00 0.76 C ATOM 755 C ARG A 47 3.581 -12.007 0.859 1.00 0.85 C ATOM 756 O ARG A 47 2.650 -12.457 1.526 1.00 1.71 O ATOM 757 CB ARG A 47 5.084 -13.781 1.791 1.00 0.99 C ATOM 758 CG ARG A 47 6.128 -13.272 2.777 1.00 1.31 C ATOM 759 CD ARG A 47 5.618 -12.083 3.572 1.00 1.11 C ATOM 760 NE ARG A 47 5.569 -12.363 5.005 1.00 1.41 N ATOM 761 CZ ARG A 47 6.643 -12.645 5.738 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.844 -12.687 5.177 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.516 -12.888 7.036 1.00 2.03 N ATOM 0 H ARG A 47 5.896 -11.034 0.698 1.00 0.80 H new ATOM 0 HA ARG A 47 4.671 -13.442 -0.291 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.145 -13.938 2.322 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.402 -14.752 1.411 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.405 -14.075 3.460 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.031 -12.988 2.236 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.263 -11.223 3.393 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.622 -11.813 3.221 1.00 1.11 H new ATOM 0 HE ARG A 47 4.661 -12.341 5.469 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.948 -12.503 4.179 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.664 -12.904 5.743 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.595 -12.859 7.473 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.340 -13.104 7.597 1.00 2.03 H new ATOM 777 N TRP A 48 3.567 -10.788 0.320 1.00 0.50 N ATOM 778 CA TRP A 48 2.431 -9.880 0.480 1.00 0.43 C ATOM 779 C TRP A 48 1.899 -9.894 1.912 1.00 0.45 C ATOM 780 O TRP A 48 1.103 -10.758 2.280 1.00 0.65 O ATOM 781 CB TRP A 48 1.310 -10.256 -0.488 1.00 0.47 C ATOM 782 CG TRP A 48 1.679 -10.066 -1.927 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.623 -11.002 -2.918 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.164 -8.864 -2.537 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.040 -10.455 -4.106 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.378 -9.146 -3.899 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.436 -7.576 -2.067 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.850 -8.192 -4.791 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.907 -6.629 -2.957 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.108 -6.944 -4.305 1.00 0.38 C ATOM 0 H TRP A 48 4.333 -10.405 -0.234 1.00 0.50 H new ATOM 0 HA TRP A 48 2.782 -8.873 0.256 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.034 -11.298 -0.326 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.429 -9.654 -0.264 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.298 -12.024 -2.787 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.090 -10.946 -4.999 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.281 -7.325 -1.028 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.007 -8.430 -5.833 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.123 -5.631 -2.606 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.476 -6.182 -4.976 1.00 0.38 H new ATOM 801 N LEU A 49 2.340 -8.935 2.716 1.00 0.38 N ATOM 802 CA LEU A 49 1.902 -8.849 4.103 1.00 0.42 C ATOM 803 C LEU A 49 1.480 -7.428 4.461 1.00 0.36 C ATOM 804 O LEU A 49 2.205 -6.468 4.199 1.00 0.39 O ATOM 805 CB LEU A 49 3.017 -9.318 5.039 1.00 0.52 C ATOM 806 CG LEU A 49 2.694 -10.578 5.845 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.617 -10.288 6.878 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.256 -11.703 4.921 1.00 0.84 C ATOM 0 H LEU A 49 2.998 -8.209 2.433 1.00 0.38 H new ATOM 0 HA LEU A 49 1.036 -9.500 4.224 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.914 -9.502 4.448 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.253 -8.511 5.733 1.00 0.52 H new ATOM 0 HG LEU A 49 3.597 -10.893 6.368 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.400 -11.195 7.442 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.966 -9.512 7.559 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.712 -9.949 6.374 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.030 -12.591 5.511 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.366 -11.397 4.371 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.057 -11.929 4.217 1.00 0.84 H new ATOM 820 N LYS A 50 0.300 -7.302 5.061 1.00 0.40 N ATOM 821 CA LYS A 50 -0.221 -6.001 5.456 1.00 0.40 C ATOM 822 C LYS A 50 0.775 -5.267 6.346 1.00 0.47 C ATOM 823 O LYS A 50 0.724 -5.377 7.572 1.00 0.85 O ATOM 824 CB LYS A 50 -1.555 -6.154 6.190 1.00 0.59 C ATOM 825 CG LYS A 50 -1.525 -7.197 7.294 1.00 0.72 C ATOM 826 CD LYS A 50 -2.852 -7.270 8.030 1.00 1.03 C ATOM 827 CE LYS A 50 -3.286 -5.903 8.532 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.797 -5.960 9.930 1.00 1.30 N ATOM 0 H LYS A 50 -0.312 -8.087 5.284 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.381 -5.416 4.550 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.837 -5.192 6.618 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.328 -6.422 5.470 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.291 -8.172 6.868 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.729 -6.958 8.000 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.616 -7.674 7.366 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.765 -7.957 8.872 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.443 -5.214 8.482 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.062 -5.506 7.878 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.082 -5.007 10.234 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.617 -6.598 9.974 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.049 -6.315 10.559 1.00 1.30 H new ATOM 842 N ALA A 51 1.679 -4.519 5.725 1.00 0.45 N ATOM 843 CA ALA A 51 2.686 -3.767 6.462 1.00 0.63 C ATOM 844 C ALA A 51 2.040 -2.899 7.533 1.00 0.55 C ATOM 845 O ALA A 51 2.393 -2.977 8.710 1.00 0.72 O ATOM 846 CB ALA A 51 3.504 -2.911 5.511 1.00 0.86 C ATOM 0 H ALA A 51 1.735 -4.417 4.712 1.00 0.45 H new ATOM 0 HA ALA A 51 3.350 -4.477 6.955 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.253 -2.354 6.075 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.001 -3.551 4.781 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.847 -2.213 4.993 1.00 0.86 H new ATOM 852 N ASN A 52 1.091 -2.068 7.117 1.00 0.42 N ATOM 853 CA ASN A 52 0.394 -1.181 8.041 1.00 0.43 C ATOM 854 C ASN A 52 -0.378 -1.984 9.086 1.00 0.59 C ATOM 855 O ASN A 52 -1.147 -2.884 8.747 1.00 1.60 O ATOM 856 CB ASN A 52 -0.559 -0.260 7.274 1.00 0.38 C ATOM 857 CG ASN A 52 -1.765 -0.996 6.723 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.685 -1.653 5.686 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.893 -0.888 7.417 1.00 0.62 N ATOM 0 H ASN A 52 0.787 -1.990 6.147 1.00 0.42 H new ATOM 0 HA ASN A 52 1.137 -0.572 8.556 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.896 0.539 7.935 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.020 0.212 6.453 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.737 -1.361 7.095 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.914 -0.332 8.272 1.00 0.62 H new ATOM 866 N PHE A 53 -0.171 -1.653 10.357 1.00 0.81 N ATOM 867 CA PHE A 53 -0.853 -2.349 11.445 1.00 0.82 C ATOM 868 C PHE A 53 -1.880 -1.451 12.135 1.00 0.84 C ATOM 869 O PHE A 53 -2.578 -1.891 13.048 1.00 1.20 O ATOM 870 CB PHE A 53 0.159 -2.859 12.472 1.00 0.96 C ATOM 871 CG PHE A 53 -0.241 -4.161 13.105 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.734 -5.199 12.331 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.123 -4.349 14.474 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.104 -6.398 12.909 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.491 -5.547 15.057 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.983 -6.573 14.273 1.00 1.96 C ATOM 0 H PHE A 53 0.460 -0.911 10.659 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.382 -3.195 11.007 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.128 -2.981 11.987 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.285 -2.108 13.252 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.830 -5.069 11.263 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.261 -3.550 15.091 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.488 -7.198 12.294 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.394 -5.681 16.124 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.272 -7.510 14.726 1.00 1.96 H new ATOM 886 N SER A 54 -1.974 -0.194 11.702 1.00 0.79 N ATOM 887 CA SER A 54 -2.923 0.739 12.294 1.00 0.89 C ATOM 888 C SER A 54 -4.036 1.082 11.310 1.00 0.95 C ATOM 889 O SER A 54 -4.175 0.443 10.268 1.00 1.89 O ATOM 890 CB SER A 54 -2.208 2.015 12.741 1.00 1.00 C ATOM 891 OG SER A 54 -2.277 2.170 14.148 1.00 1.71 O ATOM 0 H SER A 54 -1.408 0.196 10.949 1.00 0.79 H new ATOM 0 HA SER A 54 -3.369 0.259 13.165 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.165 1.981 12.426 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.660 2.879 12.254 1.00 1.00 H new ATOM 0 HG SER A 54 -1.812 2.992 14.410 1.00 1.71 H new ATOM 897 N ASN A 55 -4.827 2.093 11.651 1.00 0.75 N ATOM 898 CA ASN A 55 -5.931 2.519 10.798 1.00 0.69 C ATOM 899 C ASN A 55 -5.473 3.564 9.784 1.00 0.66 C ATOM 900 O ASN A 55 -5.068 4.668 10.150 1.00 1.05 O ATOM 901 CB ASN A 55 -7.072 3.079 11.651 1.00 0.84 C ATOM 902 CG ASN A 55 -8.202 3.639 10.810 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.759 4.694 11.119 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.546 2.934 9.739 1.00 0.83 N ATOM 0 H ASN A 55 -4.725 2.632 12.511 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.289 1.648 10.249 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.460 2.291 12.297 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.684 3.863 12.302 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.299 3.261 9.134 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.057 2.066 9.521 1.00 0.83 H new ATOM 911 N ILE A 56 -5.547 3.204 8.507 1.00 0.40 N ATOM 912 CA ILE A 56 -5.149 4.103 7.427 1.00 0.33 C ATOM 913 C ILE A 56 -6.374 4.776 6.809 1.00 0.31 C ATOM 914 O ILE A 56 -6.643 4.621 5.620 1.00 0.53 O ATOM 915 CB ILE A 56 -4.372 3.342 6.330 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.103 2.719 6.913 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.025 4.269 5.173 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.254 1.995 5.887 1.00 0.69 C ATOM 0 H ILE A 56 -5.880 2.293 8.193 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.497 4.865 7.855 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.010 2.544 5.949 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.505 3.502 7.379 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.381 2.019 7.701 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.478 3.712 4.412 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.942 4.670 4.741 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.406 5.089 5.537 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.371 1.579 6.373 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.834 1.189 5.438 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.945 2.695 5.111 1.00 0.69 H new ATOM 930 N LEU A 57 -7.113 5.521 7.629 1.00 0.44 N ATOM 931 CA LEU A 57 -8.316 6.218 7.171 1.00 0.45 C ATOM 932 C LEU A 57 -8.095 6.895 5.817 1.00 0.42 C ATOM 933 O LEU A 57 -8.724 6.530 4.824 1.00 0.60 O ATOM 934 CB LEU A 57 -8.758 7.251 8.214 1.00 0.48 C ATOM 935 CG LEU A 57 -10.222 7.697 8.125 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.391 8.759 7.050 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.138 6.509 7.857 1.00 0.72 C ATOM 0 H LEU A 57 -6.900 5.658 8.617 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.103 5.475 7.045 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.583 6.836 9.207 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.122 8.131 8.119 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.504 8.130 9.085 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.436 9.064 7.001 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.772 9.623 7.292 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.086 8.352 6.086 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.171 6.852 7.798 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.858 6.039 6.914 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.041 5.785 8.666 1.00 0.72 H new ATOM 949 N GLU A 58 -7.200 7.878 5.782 1.00 0.39 N ATOM 950 CA GLU A 58 -6.904 8.593 4.547 1.00 0.43 C ATOM 951 C GLU A 58 -6.101 7.712 3.599 1.00 0.51 C ATOM 952 O GLU A 58 -5.654 6.628 3.973 1.00 1.09 O ATOM 953 CB GLU A 58 -6.130 9.879 4.846 1.00 0.44 C ATOM 954 CG GLU A 58 -4.845 9.652 5.627 1.00 0.44 C ATOM 955 CD GLU A 58 -4.092 10.939 5.900 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.519 11.996 5.391 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.074 10.890 6.621 1.00 1.54 O ATOM 0 H GLU A 58 -6.669 8.196 6.593 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.848 8.853 4.069 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.890 10.375 3.906 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.772 10.556 5.409 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.081 9.166 6.574 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.202 8.970 5.070 1.00 0.44 H new ATOM 964 N ASN A 59 -5.918 8.184 2.373 1.00 0.31 N ATOM 965 CA ASN A 59 -5.164 7.431 1.373 1.00 0.28 C ATOM 966 C ASN A 59 -3.673 7.772 1.424 1.00 0.28 C ATOM 967 O ASN A 59 -2.917 7.399 0.529 1.00 0.49 O ATOM 968 CB ASN A 59 -5.703 7.686 -0.041 1.00 0.32 C ATOM 969 CG ASN A 59 -7.175 8.059 -0.065 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.041 7.234 0.226 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.463 9.308 -0.414 1.00 0.91 N ATOM 0 H ASN A 59 -6.278 9.080 2.046 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.289 6.375 1.611 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.125 8.486 -0.504 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.552 6.792 -0.646 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.435 9.617 -0.449 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.713 9.958 -0.647 1.00 0.91 H new ATOM 978 N GLU A 60 -3.251 8.474 2.475 1.00 0.29 N ATOM 979 CA GLU A 60 -1.847 8.844 2.631 1.00 0.29 C ATOM 980 C GLU A 60 -1.229 8.074 3.788 1.00 0.27 C ATOM 981 O GLU A 60 -1.416 8.431 4.951 1.00 0.35 O ATOM 982 CB GLU A 60 -1.707 10.349 2.879 1.00 0.34 C ATOM 983 CG GLU A 60 -0.386 10.921 2.391 1.00 0.49 C ATOM 984 CD GLU A 60 -0.019 12.218 3.085 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.750 12.622 4.013 1.00 2.05 O ATOM 986 OE2 GLU A 60 1.001 12.829 2.701 1.00 1.91 O ATOM 0 H GLU A 60 -3.859 8.796 3.228 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.323 8.592 1.709 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.526 10.869 2.382 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.807 10.545 3.947 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.405 10.189 2.555 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.444 11.092 1.316 1.00 0.49 H new ATOM 993 N PHE A 61 -0.497 7.009 3.473 1.00 0.24 N ATOM 994 CA PHE A 61 0.128 6.198 4.511 1.00 0.24 C ATOM 995 C PHE A 61 1.597 5.927 4.207 1.00 0.24 C ATOM 996 O PHE A 61 2.059 6.113 3.081 1.00 0.25 O ATOM 997 CB PHE A 61 -0.629 4.874 4.665 1.00 0.28 C ATOM 998 CG PHE A 61 0.052 3.884 5.568 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.168 3.907 6.936 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.914 2.931 5.048 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.456 2.998 7.767 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.540 2.021 5.874 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.312 2.054 7.236 1.00 0.48 C ATOM 0 H PHE A 61 -0.324 6.691 2.519 1.00 0.24 H new ATOM 0 HA PHE A 61 0.081 6.757 5.445 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.626 5.080 5.054 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.758 4.424 3.681 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.835 4.645 7.357 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.097 2.901 3.984 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.275 3.025 8.831 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.208 1.283 5.456 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.802 1.343 7.884 1.00 0.48 H new ATOM 1013 N THR A 62 2.322 5.476 5.226 1.00 0.25 N ATOM 1014 CA THR A 62 3.733 5.166 5.086 1.00 0.27 C ATOM 1015 C THR A 62 4.016 3.738 5.521 1.00 0.29 C ATOM 1016 O THR A 62 3.712 3.351 6.650 1.00 0.35 O ATOM 1017 CB THR A 62 4.589 6.139 5.898 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.047 7.447 5.847 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.022 6.213 5.422 1.00 0.37 C ATOM 0 H THR A 62 1.949 5.318 6.162 1.00 0.25 H new ATOM 0 HA THR A 62 3.994 5.270 4.033 1.00 0.27 H new ATOM 0 HB THR A 62 4.583 5.751 6.917 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.471 7.949 5.120 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.575 6.921 6.040 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.482 5.228 5.499 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.044 6.544 4.384 1.00 0.37 H new ATOM 1027 N VAL A 63 4.601 2.956 4.619 1.00 0.31 N ATOM 1028 CA VAL A 63 4.919 1.571 4.916 1.00 0.36 C ATOM 1029 C VAL A 63 6.245 1.457 5.649 1.00 0.38 C ATOM 1030 O VAL A 63 7.315 1.464 5.037 1.00 0.50 O ATOM 1031 CB VAL A 63 4.961 0.718 3.638 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.050 -0.757 3.988 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.734 0.992 2.783 1.00 0.58 C ATOM 0 H VAL A 63 4.862 3.260 3.681 1.00 0.31 H new ATOM 0 HA VAL A 63 4.126 1.193 5.561 1.00 0.36 H new ATOM 0 HB VAL A 63 5.849 0.988 3.066 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.079 -1.347 3.072 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.956 -0.940 4.566 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.179 -1.044 4.577 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.776 0.382 1.881 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.835 0.745 3.347 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.711 2.046 2.507 1.00 0.58 H new ATOM 1043 N SER A 64 6.160 1.353 6.967 1.00 0.49 N ATOM 1044 CA SER A 64 7.344 1.235 7.800 1.00 0.55 C ATOM 1045 C SER A 64 7.662 -0.225 8.078 1.00 0.63 C ATOM 1046 O SER A 64 6.776 -1.022 8.388 1.00 0.99 O ATOM 1047 CB SER A 64 7.159 1.995 9.110 1.00 0.63 C ATOM 1048 OG SER A 64 5.828 2.462 9.248 1.00 1.33 O ATOM 0 H SER A 64 5.280 1.348 7.482 1.00 0.49 H new ATOM 0 HA SER A 64 8.183 1.675 7.260 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.408 1.345 9.949 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.849 2.838 9.145 1.00 0.63 H new ATOM 0 HG SER A 64 5.737 2.944 10.096 1.00 1.33 H new ATOM 1054 N GLY A 65 8.932 -0.566 7.950 1.00 0.71 N ATOM 1055 CA GLY A 65 9.367 -1.927 8.171 1.00 0.78 C ATOM 1056 C GLY A 65 10.303 -2.395 7.075 1.00 0.72 C ATOM 1057 O GLY A 65 11.009 -3.391 7.234 1.00 0.90 O ATOM 0 H GLY A 65 9.677 0.082 7.694 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.870 -1.997 9.135 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.499 -2.585 8.215 1.00 0.78 H new ATOM 1061 N LEU A 66 10.313 -1.668 5.957 1.00 0.64 N ATOM 1062 CA LEU A 66 11.167 -2.002 4.836 1.00 0.65 C ATOM 1063 C LEU A 66 12.611 -2.184 5.295 1.00 0.59 C ATOM 1064 O LEU A 66 12.944 -1.916 6.449 1.00 0.65 O ATOM 1065 CB LEU A 66 11.061 -0.904 3.771 1.00 0.74 C ATOM 1066 CG LEU A 66 9.780 -0.938 2.917 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.579 -1.418 3.722 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.498 0.430 2.302 1.00 0.89 C ATOM 0 H LEU A 66 9.733 -0.842 5.812 1.00 0.64 H new ATOM 0 HA LEU A 66 10.839 -2.947 4.402 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.123 0.066 4.265 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.923 -0.980 3.108 1.00 0.74 H new ATOM 0 HG LEU A 66 9.947 -1.653 2.111 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.695 -1.428 3.085 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.769 -2.424 4.095 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.412 -0.745 4.563 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.588 0.379 1.704 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.370 1.166 3.096 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.334 0.723 1.667 1.00 0.89 H new ATOM 1080 N THR A 67 13.459 -2.649 4.388 1.00 0.65 N ATOM 1081 CA THR A 67 14.863 -2.881 4.698 1.00 0.69 C ATOM 1082 C THR A 67 15.761 -2.393 3.568 1.00 0.72 C ATOM 1083 O THR A 67 15.349 -2.351 2.408 1.00 1.06 O ATOM 1084 CB THR A 67 15.104 -4.371 4.940 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.076 -4.921 5.745 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.426 -4.664 5.616 1.00 0.99 C ATOM 0 H THR A 67 13.198 -2.874 3.428 1.00 0.65 H new ATOM 0 HA THR A 67 15.109 -2.320 5.600 1.00 0.69 H new ATOM 0 HB THR A 67 15.115 -4.825 3.949 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.351 -5.248 5.172 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.532 -5.740 5.757 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.242 -4.298 4.993 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.457 -4.166 6.585 1.00 0.99 H new ATOM 1094 N GLU A 68 16.989 -2.027 3.914 1.00 0.66 N ATOM 1095 CA GLU A 68 17.947 -1.543 2.930 1.00 0.67 C ATOM 1096 C GLU A 68 18.241 -2.608 1.875 1.00 0.60 C ATOM 1097 O GLU A 68 18.086 -3.804 2.124 1.00 0.69 O ATOM 1098 CB GLU A 68 19.244 -1.124 3.623 1.00 0.76 C ATOM 1099 CG GLU A 68 19.716 0.271 3.245 1.00 0.96 C ATOM 1100 CD GLU A 68 20.768 0.809 4.195 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.402 1.222 5.315 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.958 0.815 3.819 1.00 1.91 O ATOM 0 H GLU A 68 17.344 -2.056 4.870 1.00 0.66 H new ATOM 0 HA GLU A 68 17.510 -0.679 2.429 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.100 -1.169 4.702 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.026 -1.842 3.376 1.00 0.76 H new ATOM 0 HG2 GLU A 68 20.121 0.251 2.233 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.862 0.948 3.233 1.00 0.96 H new ATOM 1109 N ASP A 69 18.667 -2.159 0.697 1.00 0.52 N ATOM 1110 CA ASP A 69 18.989 -3.057 -0.408 1.00 0.49 C ATOM 1111 C ASP A 69 17.894 -4.101 -0.620 1.00 0.44 C ATOM 1112 O ASP A 69 18.146 -5.303 -0.521 1.00 0.54 O ATOM 1113 CB ASP A 69 20.328 -3.754 -0.154 1.00 0.59 C ATOM 1114 CG ASP A 69 21.464 -2.771 0.061 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.526 -1.762 -0.673 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.293 -3.011 0.965 1.00 1.66 O ATOM 0 H ASP A 69 18.798 -1.170 0.483 1.00 0.52 H new ATOM 0 HA ASP A 69 19.061 -2.453 -1.312 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.238 -4.398 0.721 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.565 -4.398 -1.001 1.00 0.59 H new ATOM 1121 N ALA A 70 16.682 -3.642 -0.919 1.00 0.40 N ATOM 1122 CA ALA A 70 15.563 -4.547 -1.150 1.00 0.40 C ATOM 1123 C ALA A 70 14.387 -3.823 -1.794 1.00 0.35 C ATOM 1124 O ALA A 70 13.796 -2.927 -1.193 1.00 0.36 O ATOM 1125 CB ALA A 70 15.122 -5.187 0.155 1.00 0.49 C ATOM 0 H ALA A 70 16.451 -2.652 -1.007 1.00 0.40 H new ATOM 0 HA ALA A 70 15.902 -5.324 -1.835 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.286 -5.860 -0.034 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.951 -5.750 0.583 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.812 -4.411 0.854 1.00 0.49 H new ATOM 1131 N ALA A 71 14.042 -4.223 -3.013 1.00 0.33 N ATOM 1132 CA ALA A 71 12.923 -3.615 -3.720 1.00 0.30 C ATOM 1133 C ALA A 71 11.614 -4.049 -3.077 1.00 0.27 C ATOM 1134 O ALA A 71 11.361 -5.243 -2.915 1.00 0.36 O ATOM 1135 CB ALA A 71 12.951 -3.995 -5.190 1.00 0.34 C ATOM 0 H ALA A 71 14.519 -4.962 -3.529 1.00 0.33 H new ATOM 0 HA ALA A 71 13.007 -2.530 -3.652 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.108 -3.532 -5.702 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.882 -3.648 -5.638 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.883 -5.079 -5.287 1.00 0.34 H new ATOM 1141 N TYR A 72 10.788 -3.084 -2.688 1.00 0.24 N ATOM 1142 CA TYR A 72 9.522 -3.402 -2.040 1.00 0.24 C ATOM 1143 C TYR A 72 8.311 -2.938 -2.837 1.00 0.21 C ATOM 1144 O TYR A 72 8.173 -1.755 -3.146 1.00 0.23 O ATOM 1145 CB TYR A 72 9.472 -2.765 -0.657 1.00 0.30 C ATOM 1146 CG TYR A 72 10.223 -3.539 0.394 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.566 -3.290 0.641 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.585 -4.521 1.138 1.00 0.49 C ATOM 1149 CE1 TYR A 72 12.251 -4.003 1.603 1.00 0.42 C ATOM 1150 CE2 TYR A 72 10.262 -5.234 2.103 1.00 0.56 C ATOM 1151 CZ TYR A 72 11.595 -4.973 2.334 1.00 0.46 C ATOM 1152 OH TYR A 72 12.276 -5.683 3.295 1.00 0.56 O ATOM 0 H TYR A 72 10.969 -2.087 -2.808 1.00 0.24 H new ATOM 0 HA TYR A 72 9.475 -4.489 -1.970 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.883 -1.757 -0.716 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.431 -2.667 -0.349 1.00 0.30 H new ATOM 0 HD1 TYR A 72 12.081 -2.529 0.073 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.541 -4.730 0.958 1.00 0.49 H new ATOM 0 HE1 TYR A 72 13.297 -3.803 1.784 1.00 0.42 H new ATOM 0 HE2 TYR A 72 9.750 -5.994 2.675 1.00 0.56 H new ATOM 0 HH TYR A 72 11.669 -6.326 3.718 1.00 0.56 H new ATOM 1162 N GLU A 73 7.418 -3.877 -3.134 1.00 0.21 N ATOM 1163 CA GLU A 73 6.190 -3.568 -3.860 1.00 0.21 C ATOM 1164 C GLU A 73 5.038 -3.523 -2.864 1.00 0.23 C ATOM 1165 O GLU A 73 4.944 -4.384 -1.992 1.00 0.32 O ATOM 1166 CB GLU A 73 5.916 -4.616 -4.938 1.00 0.25 C ATOM 1167 CG GLU A 73 6.256 -4.152 -6.343 1.00 0.65 C ATOM 1168 CD GLU A 73 6.477 -5.309 -7.297 1.00 0.68 C ATOM 1169 OE1 GLU A 73 7.367 -6.142 -7.024 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.760 -5.382 -8.317 1.00 1.32 O ATOM 0 H GLU A 73 7.522 -4.860 -2.883 1.00 0.21 H new ATOM 0 HA GLU A 73 6.295 -2.603 -4.356 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.491 -5.514 -4.713 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.863 -4.894 -4.902 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.449 -3.523 -6.720 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.154 -3.534 -6.311 1.00 0.65 H new ATOM 1177 N PHE A 74 4.175 -2.517 -2.959 1.00 0.22 N ATOM 1178 CA PHE A 74 3.066 -2.422 -1.985 1.00 0.28 C ATOM 1179 C PHE A 74 1.695 -2.215 -2.621 1.00 0.25 C ATOM 1180 O PHE A 74 1.398 -1.151 -3.157 1.00 0.30 O ATOM 1181 CB PHE A 74 3.312 -1.298 -0.965 1.00 0.39 C ATOM 1182 CG PHE A 74 4.672 -0.679 -1.049 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.906 0.403 -1.877 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.710 -1.178 -0.290 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.160 0.976 -1.946 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.964 -0.612 -0.352 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.189 0.466 -1.227 1.00 0.53 C ATOM 0 H PHE A 74 4.206 -1.780 -3.663 1.00 0.22 H new ATOM 0 HA PHE A 74 3.053 -3.392 -1.487 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.562 -0.521 -1.110 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.168 -1.696 0.039 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.101 0.803 -2.475 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.537 -2.023 0.361 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.322 1.837 -2.578 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.766 -0.992 0.264 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.179 0.886 -1.325 1.00 0.53 H new ATOM 1197 N ARG A 75 0.851 -3.239 -2.521 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.510 -3.174 -3.054 1.00 0.34 C ATOM 1199 C ARG A 75 -1.462 -2.672 -1.973 1.00 0.31 C ATOM 1200 O ARG A 75 -1.259 -2.945 -0.789 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.969 -4.548 -3.557 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.420 -5.716 -2.753 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.169 -7.006 -3.049 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.569 -7.746 -4.156 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.149 -8.786 -4.746 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.340 -9.202 -4.338 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.542 -9.410 -5.747 1.00 1.87 N ATOM 0 H ARG A 75 1.085 -4.126 -2.075 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.518 -2.483 -3.897 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.058 -4.586 -3.536 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.666 -4.662 -4.598 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.638 -5.849 -2.981 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.491 -5.490 -1.689 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.178 -7.633 -2.157 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.207 -6.776 -3.288 1.00 1.08 H new ATOM 0 HE ARG A 75 0.346 -7.448 -4.495 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.812 -8.724 -3.571 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.784 -10.000 -4.792 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.373 -9.092 -6.066 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.990 -10.208 -6.197 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.494 -1.929 -2.366 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.442 -1.398 -1.387 1.00 0.39 C ATOM 1223 C VAL A 76 -4.785 -2.127 -1.403 1.00 0.31 C ATOM 1224 O VAL A 76 -5.578 -1.982 -2.333 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.702 0.116 -1.587 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.723 0.629 -0.576 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.413 0.911 -1.468 1.00 0.54 C ATOM 0 H VAL A 76 -2.694 -1.684 -3.336 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.966 -1.562 -0.420 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.103 0.252 -2.591 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.890 1.694 -0.736 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.663 0.092 -0.703 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.347 0.468 0.434 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.624 1.970 -1.613 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -1.982 0.759 -0.479 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.707 0.575 -2.227 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.038 -2.882 -0.339 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.280 -3.605 -0.175 1.00 0.31 C ATOM 1239 C ILE A 77 -7.102 -2.885 0.891 1.00 0.30 C ATOM 1240 O ILE A 77 -6.533 -2.201 1.743 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.019 -5.063 0.265 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.385 -5.864 -0.868 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.302 -5.728 0.724 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.875 -7.218 -0.423 1.00 0.42 C ATOM 0 H ILE A 77 -4.382 -3.006 0.432 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.814 -3.635 -1.125 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.324 -5.040 1.105 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.118 -6.002 -1.663 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.559 -5.292 -1.292 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.092 -6.753 1.028 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.716 -5.176 1.568 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.022 -5.733 -0.094 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.436 -7.739 -1.274 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.119 -7.086 0.351 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.702 -7.806 -0.026 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.421 -3.019 0.862 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.230 -2.336 1.871 1.00 0.30 C ATOM 1258 C ALA A 78 -10.674 -2.811 1.901 1.00 0.34 C ATOM 1259 O ALA A 78 -11.397 -2.700 0.916 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.186 -0.834 1.639 1.00 0.39 C ATOM 0 H ALA A 78 -8.941 -3.571 0.180 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.797 -2.582 2.841 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.791 -0.331 2.394 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.156 -0.485 1.708 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.580 -0.607 0.648 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.104 -3.319 3.049 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.475 -3.777 3.189 1.00 0.43 C ATOM 1268 C LYS A 79 -13.409 -2.579 3.239 1.00 0.59 C ATOM 1269 O LYS A 79 -12.989 -1.470 3.568 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.644 -4.648 4.433 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.606 -3.869 5.737 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.008 -4.742 6.916 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.999 -5.854 7.153 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.605 -7.010 7.870 1.00 1.98 N ATOM 0 H LYS A 79 -10.529 -3.422 3.885 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.727 -4.391 2.325 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.593 -5.180 4.366 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -11.856 -5.401 4.447 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.602 -3.476 5.899 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -13.277 -3.013 5.671 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.093 -4.128 7.813 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.991 -5.174 6.732 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.598 -6.190 6.197 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.161 -5.466 7.732 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.885 -7.747 8.012 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.966 -6.695 8.793 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.389 -7.396 7.306 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.668 -2.795 2.896 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.636 -1.711 2.886 1.00 0.70 C ATOM 1290 C ASN A 80 -16.525 -1.715 4.123 1.00 0.87 C ATOM 1291 O ASN A 80 -16.515 -2.652 4.919 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.505 -1.791 1.633 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.751 -1.400 0.375 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.110 -0.436 -0.302 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.701 -2.145 0.054 1.00 2.05 N ATOM 0 H ASN A 80 -15.042 -3.704 2.623 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.070 -0.779 2.888 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.886 -2.806 1.523 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.369 -1.138 1.752 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.157 -1.927 -0.781 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.437 -2.935 0.643 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.295 -0.642 4.257 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.221 -0.458 5.370 1.00 0.82 C ATOM 1304 C ALA A 81 -18.926 -1.759 5.753 1.00 0.88 C ATOM 1305 O ALA A 81 -18.838 -2.214 6.893 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.253 0.599 4.999 1.00 0.83 C ATOM 0 H ALA A 81 -17.295 0.131 3.592 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.643 -0.134 6.236 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.946 0.738 5.829 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.748 1.541 4.786 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.805 0.275 4.116 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.630 -2.344 4.790 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.361 -3.588 5.014 1.00 0.90 C ATOM 1314 C ALA A 82 -19.438 -4.740 5.405 1.00 0.88 C ATOM 1315 O ALA A 82 -19.902 -5.788 5.851 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.162 -3.949 3.773 1.00 0.94 C ATOM 0 H ALA A 82 -19.711 -1.975 3.842 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.039 -3.424 5.851 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.705 -4.878 3.948 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.871 -3.151 3.552 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.486 -4.077 2.928 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.134 -4.549 5.232 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.186 -5.591 5.571 1.00 0.86 C ATOM 1324 C GLY A 83 -16.569 -6.226 4.340 1.00 0.78 C ATOM 1325 O GLY A 83 -15.560 -6.925 4.435 1.00 0.93 O ATOM 0 H GLY A 83 -17.719 -3.693 4.864 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.397 -5.173 6.196 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.687 -6.358 6.161 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.172 -5.980 3.176 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.666 -6.531 1.926 1.00 0.78 C ATOM 1331 C ALA A 84 -15.184 -6.223 1.779 1.00 0.76 C ATOM 1332 O ALA A 84 -14.684 -5.272 2.376 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.451 -5.973 0.749 1.00 0.92 C ATOM 0 H ALA A 84 -18.008 -5.404 3.077 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.793 -7.614 1.940 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.063 -6.393 -0.179 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.503 -6.238 0.855 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.351 -4.888 0.726 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.480 -7.030 0.997 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.053 -6.822 0.806 1.00 0.40 C ATOM 1341 C ILE A 85 -12.729 -6.286 -0.578 1.00 0.38 C ATOM 1342 O ILE A 85 -12.966 -6.949 -1.588 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.250 -8.115 1.034 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.750 -7.817 0.982 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.628 -9.164 -0.001 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.102 -7.737 2.347 1.00 0.79 C ATOM 0 H ILE A 85 -14.869 -7.825 0.490 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.763 -6.080 1.550 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.490 -8.510 2.021 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.254 -8.592 0.398 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.593 -6.874 0.458 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.051 -10.072 0.174 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.692 -9.388 0.080 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.412 -8.784 -1.000 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.039 -7.523 2.233 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.572 -6.943 2.927 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.227 -8.688 2.866 1.00 0.79 H new ATOM 1358 N SER A 86 -12.168 -5.084 -0.612 1.00 0.39 N ATOM 1359 CA SER A 86 -11.788 -4.462 -1.871 1.00 0.45 C ATOM 1360 C SER A 86 -10.460 -5.040 -2.346 1.00 0.44 C ATOM 1361 O SER A 86 -9.418 -4.797 -1.721 1.00 0.43 O ATOM 1362 CB SER A 86 -11.666 -2.945 -1.720 1.00 0.54 C ATOM 1363 OG SER A 86 -10.378 -2.570 -1.251 1.00 0.59 O ATOM 0 H SER A 86 -11.967 -4.523 0.216 1.00 0.39 H new ATOM 0 HA SER A 86 -12.565 -4.671 -2.606 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.858 -2.466 -2.680 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.426 -2.585 -1.026 1.00 0.54 H new ATOM 0 HG SER A 86 -10.464 -2.116 -0.387 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.474 -5.814 -3.450 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.273 -6.430 -4.004 1.00 0.61 C ATOM 1371 C PRO A 87 -8.045 -5.530 -3.908 1.00 0.54 C ATOM 1372 O PRO A 87 -8.162 -4.316 -3.741 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.652 -6.657 -5.462 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.123 -6.899 -5.439 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.671 -6.153 -4.247 1.00 0.59 C ATOM 0 HA PRO A 87 -8.993 -7.335 -3.465 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.403 -5.791 -6.075 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.117 -7.509 -5.882 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.587 -6.548 -6.361 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.338 -7.965 -5.360 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.213 -5.258 -4.552 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.367 -6.769 -3.678 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.843 -6.121 -4.011 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.585 -5.374 -3.933 1.00 0.56 C ATOM 1385 C PRO A 88 -5.362 -4.465 -5.133 1.00 0.48 C ATOM 1386 O PRO A 88 -5.551 -4.871 -6.280 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.517 -6.467 -3.901 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.156 -7.650 -4.541 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.618 -7.565 -4.208 1.00 0.72 C ATOM 0 HA PRO A 88 -5.571 -4.712 -3.067 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.622 -6.160 -4.443 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.210 -6.689 -2.879 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.001 -7.641 -5.620 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.724 -8.577 -4.165 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.237 -7.961 -5.013 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.859 -8.135 -3.311 1.00 0.72 H new ATOM 1397 N SER A 89 -4.944 -3.235 -4.859 1.00 0.43 N ATOM 1398 CA SER A 89 -4.677 -2.269 -5.912 1.00 0.42 C ATOM 1399 C SER A 89 -3.218 -2.357 -6.339 1.00 0.35 C ATOM 1400 O SER A 89 -2.327 -1.998 -5.567 1.00 0.51 O ATOM 1401 CB SER A 89 -5.004 -0.853 -5.437 1.00 0.56 C ATOM 1402 OG SER A 89 -6.330 -0.774 -4.943 1.00 1.28 O ATOM 0 H SER A 89 -4.783 -2.885 -3.915 1.00 0.43 H new ATOM 0 HA SER A 89 -5.312 -2.500 -6.767 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.303 -0.557 -4.656 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.877 -0.151 -6.261 1.00 0.56 H new ATOM 0 HG SER A 89 -6.780 0.002 -5.337 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.007 -2.847 -7.573 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.674 -3.028 -8.192 1.00 0.37 C ATOM 1410 C GLU A 90 -0.519 -2.506 -7.326 1.00 0.34 C ATOM 1411 O GLU A 90 -0.348 -1.298 -7.173 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.641 -2.337 -9.557 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.278 -3.270 -10.703 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.499 -3.831 -11.407 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.183 -4.690 -10.814 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.768 -3.410 -12.552 1.00 1.77 O ATOM 0 H GLU A 90 -3.771 -3.135 -8.184 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.526 -4.103 -8.298 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.617 -1.895 -9.755 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.921 -1.519 -9.524 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.663 -2.732 -11.424 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.674 -4.093 -10.320 1.00 0.90 H new ATOM 1423 N PRO A 91 0.287 -3.416 -6.745 1.00 0.30 N ATOM 1424 CA PRO A 91 1.415 -3.042 -5.894 1.00 0.29 C ATOM 1425 C PRO A 91 2.219 -1.864 -6.426 1.00 0.31 C ATOM 1426 O PRO A 91 2.607 -1.838 -7.593 1.00 0.55 O ATOM 1427 CB PRO A 91 2.275 -4.299 -5.898 1.00 0.36 C ATOM 1428 CG PRO A 91 1.302 -5.417 -6.036 1.00 0.36 C ATOM 1429 CD PRO A 91 0.158 -4.883 -6.866 1.00 0.39 C ATOM 0 HA PRO A 91 1.077 -2.718 -4.910 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.988 -4.289 -6.723 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.853 -4.387 -4.978 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.764 -6.278 -6.519 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.951 -5.750 -5.059 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.232 -5.206 -7.904 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.804 -5.232 -6.492 1.00 0.39 H new ATOM 1437 N SER A 92 2.478 -0.896 -5.552 1.00 0.27 N ATOM 1438 CA SER A 92 3.253 0.273 -5.919 1.00 0.31 C ATOM 1439 C SER A 92 4.659 -0.151 -6.297 1.00 0.27 C ATOM 1440 O SER A 92 5.181 -1.131 -5.750 1.00 0.24 O ATOM 1441 CB SER A 92 3.297 1.287 -4.762 1.00 0.39 C ATOM 1442 OG SER A 92 4.628 1.628 -4.401 1.00 1.23 O ATOM 0 H SER A 92 2.159 -0.903 -4.583 1.00 0.27 H new ATOM 0 HA SER A 92 2.777 0.756 -6.773 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.758 2.189 -5.050 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.782 0.871 -3.896 1.00 0.39 H new ATOM 0 HG SER A 92 5.003 0.923 -3.833 1.00 1.23 H new ATOM 1448 N ASP A 93 5.252 0.596 -7.227 1.00 0.33 N ATOM 1449 CA ASP A 93 6.606 0.339 -7.717 1.00 0.36 C ATOM 1450 C ASP A 93 7.514 -0.232 -6.639 1.00 0.32 C ATOM 1451 O ASP A 93 7.438 0.153 -5.472 1.00 0.56 O ATOM 1452 CB ASP A 93 7.218 1.629 -8.257 1.00 0.45 C ATOM 1453 CG ASP A 93 7.430 1.583 -9.756 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.443 1.753 -10.500 1.00 1.55 O ATOM 1455 OD2 ASP A 93 8.584 1.377 -10.186 1.00 1.63 O ATOM 0 H ASP A 93 4.804 1.401 -7.664 1.00 0.33 H new ATOM 0 HA ASP A 93 6.523 -0.403 -8.511 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.567 2.468 -8.010 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.173 1.810 -7.763 1.00 0.45 H new ATOM 1460 N ALA A 94 8.374 -1.149 -7.045 1.00 0.33 N ATOM 1461 CA ALA A 94 9.305 -1.775 -6.126 1.00 0.28 C ATOM 1462 C ALA A 94 10.466 -0.837 -5.827 1.00 0.29 C ATOM 1463 O ALA A 94 11.337 -0.627 -6.670 1.00 0.41 O ATOM 1464 CB ALA A 94 9.824 -3.079 -6.706 1.00 0.34 C ATOM 0 H ALA A 94 8.446 -1.477 -8.008 1.00 0.33 H new ATOM 0 HA ALA A 94 8.780 -1.990 -5.195 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.522 -3.537 -6.005 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.989 -3.757 -6.882 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.335 -2.880 -7.648 1.00 0.34 H new ATOM 1470 N ILE A 95 10.478 -0.273 -4.629 1.00 0.25 N ATOM 1471 CA ILE A 95 11.539 0.641 -4.238 1.00 0.28 C ATOM 1472 C ILE A 95 12.730 -0.128 -3.683 1.00 0.26 C ATOM 1473 O ILE A 95 12.668 -0.675 -2.583 1.00 0.25 O ATOM 1474 CB ILE A 95 11.049 1.666 -3.192 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.921 2.516 -3.778 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.197 2.559 -2.731 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.537 1.978 -3.486 1.00 0.44 C ATOM 0 H ILE A 95 9.768 -0.431 -3.914 1.00 0.25 H new ATOM 0 HA ILE A 95 11.845 1.185 -5.132 1.00 0.28 H new ATOM 0 HB ILE A 95 10.670 1.121 -2.327 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.998 3.529 -3.382 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.054 2.585 -4.858 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.829 3.273 -1.994 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.978 1.945 -2.282 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.605 3.097 -3.586 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.790 2.634 -3.933 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.440 0.977 -3.906 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.383 1.935 -2.408 1.00 0.44 H new ATOM 1489 N THR A 96 13.820 -0.165 -4.450 1.00 0.29 N ATOM 1490 CA THR A 96 15.033 -0.869 -4.034 1.00 0.32 C ATOM 1491 C THR A 96 15.340 -0.608 -2.563 1.00 0.32 C ATOM 1492 O THR A 96 15.736 -1.510 -1.831 1.00 0.38 O ATOM 1493 CB THR A 96 16.219 -0.442 -4.901 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.008 -0.810 -6.253 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.534 -1.048 -4.458 1.00 0.43 C ATOM 0 H THR A 96 13.888 0.285 -5.363 1.00 0.29 H new ATOM 0 HA THR A 96 14.864 -1.938 -4.164 1.00 0.32 H new ATOM 0 HB THR A 96 16.283 0.641 -4.792 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.776 -0.527 -6.793 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.333 -0.704 -5.115 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.749 -0.742 -3.434 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.468 -2.135 -4.505 1.00 0.43 H new ATOM 1503 N CYS A 97 15.140 0.632 -2.134 1.00 0.32 N ATOM 1504 CA CYS A 97 15.383 1.001 -0.747 1.00 0.36 C ATOM 1505 C CYS A 97 16.841 0.779 -0.359 1.00 0.43 C ATOM 1506 O CYS A 97 17.162 -0.172 0.350 1.00 0.64 O ATOM 1507 CB CYS A 97 14.476 0.178 0.170 1.00 0.38 C ATOM 1508 SG CYS A 97 12.714 0.534 -0.008 1.00 1.10 S ATOM 0 H CYS A 97 14.811 1.396 -2.725 1.00 0.32 H new ATOM 0 HA CYS A 97 15.161 2.062 -0.635 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.642 -0.881 -0.030 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.768 0.357 1.205 1.00 0.38 H new ATOM 0 HG CYS A 97 12.320 0.192 -1.199 1.00 1.10 H new ATOM 1514 N ARG A 98 17.720 1.664 -0.817 1.00 0.53 N ATOM 1515 CA ARG A 98 19.143 1.558 -0.503 1.00 0.63 C ATOM 1516 C ARG A 98 19.548 2.658 0.465 1.00 0.80 C ATOM 1517 O ARG A 98 19.671 2.432 1.668 1.00 1.04 O ATOM 1518 CB ARG A 98 20.021 1.622 -1.768 1.00 0.68 C ATOM 1519 CG ARG A 98 19.261 1.714 -3.086 1.00 0.74 C ATOM 1520 CD ARG A 98 19.087 3.156 -3.525 1.00 0.92 C ATOM 1521 NE ARG A 98 17.738 3.643 -3.259 1.00 1.64 N ATOM 1522 CZ ARG A 98 16.718 3.515 -4.105 1.00 2.31 C ATOM 1523 NH1 ARG A 98 16.900 2.916 -5.275 1.00 2.68 N ATOM 1524 NH2 ARG A 98 15.517 3.985 -3.792 1.00 3.00 N ATOM 0 H ARG A 98 17.475 2.461 -1.405 1.00 0.53 H new ATOM 0 HA ARG A 98 19.303 0.585 -0.039 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.682 2.485 -1.688 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.655 0.736 -1.795 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.797 1.160 -3.856 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.283 1.245 -2.978 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.810 3.784 -3.005 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.301 3.240 -4.591 1.00 0.92 H new ATOM 0 HE ARG A 98 17.565 4.111 -2.369 1.00 1.64 H new ATOM 0 HH11 ARG A 98 17.820 2.554 -5.525 1.00 2.68 H new ATOM 0 HH12 ARG A 98 16.120 2.817 -5.924 1.00 2.68 H new ATOM 0 HH21 ARG A 98 15.369 4.450 -2.896 1.00 3.00 H new ATOM 0 HH22 ARG A 98 14.742 3.882 -4.447 1.00 3.00 H new ATOM 1538 N ASP A 99 19.742 3.848 -0.070 1.00 0.92 N ATOM 1539 CA ASP A 99 20.122 4.999 0.736 1.00 1.20 C ATOM 1540 C ASP A 99 19.162 6.174 0.517 1.00 1.03 C ATOM 1541 O ASP A 99 19.330 7.235 1.117 1.00 1.20 O ATOM 1542 CB ASP A 99 21.555 5.418 0.411 1.00 1.61 C ATOM 1543 CG ASP A 99 21.613 6.471 -0.679 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.696 6.500 -1.528 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.575 7.267 -0.685 1.00 2.14 O ATOM 0 H ASP A 99 19.643 4.047 -1.066 1.00 0.92 H new ATOM 0 HA ASP A 99 20.064 4.711 1.786 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.032 5.804 1.312 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.125 4.543 0.099 1.00 1.61 H new ATOM 1550 N ASP A 100 18.156 5.975 -0.343 1.00 0.85 N ATOM 1551 CA ASP A 100 17.159 7.002 -0.645 1.00 0.92 C ATOM 1552 C ASP A 100 17.789 8.323 -1.088 1.00 1.22 C ATOM 1553 O ASP A 100 17.132 9.364 -1.070 1.00 1.38 O ATOM 1554 CB ASP A 100 16.237 7.221 0.561 1.00 0.87 C ATOM 1555 CG ASP A 100 16.870 8.058 1.657 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.202 9.232 1.391 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.033 7.538 2.782 1.00 2.03 O ATOM 0 H ASP A 100 18.013 5.099 -0.846 1.00 0.85 H new ATOM 0 HA ASP A 100 16.570 6.637 -1.486 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.321 7.707 0.226 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.952 6.253 0.972 1.00 0.87 H new ATOM 1562 N VAL A 101 19.052 8.280 -1.494 1.00 1.43 N ATOM 1563 CA VAL A 101 19.745 9.468 -1.944 1.00 1.90 C ATOM 1564 C VAL A 101 20.430 9.244 -3.294 1.00 2.23 C ATOM 1565 O VAL A 101 21.069 10.151 -3.827 1.00 2.80 O ATOM 1566 CB VAL A 101 20.804 9.906 -0.924 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.178 10.754 0.173 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.524 8.701 -0.341 1.00 2.22 C ATOM 0 H VAL A 101 19.614 7.429 -1.519 1.00 1.43 H new ATOM 0 HA VAL A 101 18.991 10.248 -2.051 1.00 1.90 H new ATOM 0 HB VAL A 101 21.543 10.518 -1.441 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.947 11.053 0.885 1.00 2.67 H new ATOM 0 HG12 VAL A 101 19.726 11.643 -0.267 1.00 2.67 H new ATOM 0 HG13 VAL A 101 19.412 10.175 0.688 1.00 2.67 H new ATOM 0 HG21 VAL A 101 22.270 9.036 0.379 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.803 8.053 0.158 1.00 2.22 H new ATOM 0 HG23 VAL A 101 22.016 8.148 -1.142 1.00 2.22 H new ATOM 1578 N GLU A 102 20.306 8.033 -3.844 1.00 1.99 N ATOM 1579 CA GLU A 102 20.930 7.716 -5.123 1.00 2.40 C ATOM 1580 C GLU A 102 19.907 7.249 -6.161 1.00 2.00 C ATOM 1581 O GLU A 102 20.204 7.203 -7.354 1.00 2.49 O ATOM 1582 CB GLU A 102 22.006 6.645 -4.934 1.00 3.22 C ATOM 1583 CG GLU A 102 21.446 5.260 -4.655 1.00 3.87 C ATOM 1584 CD GLU A 102 22.498 4.173 -4.758 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.576 4.329 -4.145 1.00 4.58 O ATOM 1586 OE2 GLU A 102 22.244 3.166 -5.451 1.00 4.47 O ATOM 0 H GLU A 102 19.783 7.264 -3.425 1.00 1.99 H new ATOM 0 HA GLU A 102 21.387 8.632 -5.498 1.00 2.40 H new ATOM 0 HB2 GLU A 102 22.626 6.603 -5.830 1.00 3.22 H new ATOM 0 HB3 GLU A 102 22.656 6.937 -4.110 1.00 3.22 H new ATOM 0 HG2 GLU A 102 21.009 5.244 -3.657 1.00 3.87 H new ATOM 0 HG3 GLU A 102 20.641 5.049 -5.359 1.00 3.87 H new ATOM 1593 N ALA A 103 18.703 6.902 -5.708 1.00 1.84 N ATOM 1594 CA ALA A 103 17.656 6.441 -6.612 1.00 2.56 C ATOM 1595 C ALA A 103 18.138 5.269 -7.459 1.00 3.21 C ATOM 1596 O ALA A 103 17.500 4.987 -8.495 1.00 3.72 O ATOM 1597 CB ALA A 103 17.193 7.583 -7.504 1.00 3.26 C ATOM 1598 OXT ALA A 103 19.151 4.643 -7.081 1.00 3.79 O ATOM 0 H ALA A 103 18.431 6.932 -4.725 1.00 1.84 H new ATOM 0 HA ALA A 103 16.815 6.098 -6.010 1.00 2.56 H new ATOM 0 HB1 ALA A 103 16.411 7.227 -8.175 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.801 8.391 -6.886 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.035 7.951 -8.091 1.00 3.26 H new TER 1604 ALA A 103