USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 40 THR OG1 : rot 23:sc= 0.443 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.839 K(o=-0.4,f=-7.7!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 173:sc= -0.184 (180deg=0.344) USER MOD Set 2.2: A 37 MET CE :methyl 150:sc= -0.914 (180deg=-1.84) USER MOD Set 3.1: A 2 SER OG : rot 79:sc= 0.0362 USER MOD Set 3.2: A 92 SER OG : rot -160:sc= 0.0356 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 20:sc= 1.24 USER MOD Single : A 4 THR OG1 : rot 36:sc= 0.0958 USER MOD Single : A 5 THR OG1 : rot -118:sc= 0.303 USER MOD Single : A 6 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= 0.842 (180deg=0.00738) USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -0.898 (180deg=-0.978) USER MOD Single : A 13 TYR OH : rot -15:sc= -0.698 USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= 0.0987 (180deg=0) USER MOD Single : A 23 MET CE :methyl -161:sc= -0.118 (180deg=-0.642) USER MOD Single : A 28 TYR OH : rot 54:sc= -0.554! USER MOD Single : A 32 THR OG1 : rot -50:sc= 1.19 USER MOD Single : A 39 MET CE :methyl -142:sc= -0.161 (180deg=-0.793) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 2:sc= -1.48! USER MOD Single : A 58 SER OG : rot 71:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 138:sc= -0.8 (180deg=-1.34) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 67 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.5!) USER MOD Single : A 69 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.005) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -1.08 (180deg=-1.11) USER MOD Single : A 79 THR OG1 : rot 64:sc= 0.209 USER MOD Single : A 80 ASN : amide:sc= -2.02 X(o=-2,f=-2.2) USER MOD Single : A 82 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.41) USER MOD Single : A 85 THR OG1 : rot -71:sc= 0.496! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -11:sc= 0.794 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -32:sc= 1.1 USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.628 (180deg=-3.21!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.11 K(o=-1.1,f=0.66) USER MOD Single : A 97 TYR OH : rot -106:sc= -4.19! USER MOD Single : A 99 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.072) USER MOD Single : A 100 CYS SG : rot 180:sc= -4.91! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= -0.0206 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.227 -5.554 0.982 1.00 3.78 N ATOM 2 CA SER A 1 -17.308 -4.778 1.854 1.00 3.53 C ATOM 3 C SER A 1 -16.024 -4.423 1.113 1.00 3.37 C ATOM 4 O SER A 1 -15.799 -3.266 0.757 1.00 3.89 O ATOM 5 CB SER A 1 -16.974 -5.580 3.114 1.00 3.95 C ATOM 6 OG SER A 1 -16.102 -4.857 3.966 1.00 4.64 O ATOM 0 H1 SER A 1 -19.094 -5.784 1.509 1.00 3.78 H new ATOM 0 H2 SER A 1 -18.471 -4.988 0.144 1.00 3.78 H new ATOM 0 H3 SER A 1 -17.761 -6.434 0.682 1.00 3.78 H new ATOM 0 HA SER A 1 -17.810 -3.853 2.138 1.00 3.53 H new ATOM 0 HB2 SER A 1 -17.893 -5.821 3.649 1.00 3.95 H new ATOM 0 HB3 SER A 1 -16.511 -6.526 2.834 1.00 3.95 H new ATOM 0 HG SER A 1 -15.906 -5.392 4.764 1.00 4.64 H new ATOM 14 N SER A 2 -15.184 -5.427 0.881 1.00 3.06 N ATOM 15 CA SER A 2 -13.921 -5.225 0.180 1.00 3.04 C ATOM 16 C SER A 2 -13.669 -6.351 -0.816 1.00 1.91 C ATOM 17 O SER A 2 -13.263 -6.107 -1.952 1.00 2.39 O ATOM 18 CB SER A 2 -12.766 -5.144 1.178 1.00 4.03 C ATOM 19 OG SER A 2 -11.531 -4.944 0.513 1.00 4.82 O ATOM 0 H SER A 2 -15.356 -6.390 1.169 1.00 3.06 H new ATOM 0 HA SER A 2 -13.984 -4.285 -0.368 1.00 3.04 H new ATOM 0 HB2 SER A 2 -12.942 -4.327 1.878 1.00 4.03 H new ATOM 0 HB3 SER A 2 -12.723 -6.062 1.764 1.00 4.03 H new ATOM 0 HG SER A 2 -11.446 -4.002 0.258 1.00 4.82 H new ATOM 25 N THR A 3 -13.915 -7.584 -0.373 1.00 1.12 N ATOM 26 CA THR A 3 -13.725 -8.767 -1.209 1.00 0.81 C ATOM 27 C THR A 3 -12.353 -8.775 -1.877 1.00 0.72 C ATOM 28 O THR A 3 -12.178 -8.239 -2.971 1.00 0.87 O ATOM 29 CB THR A 3 -14.818 -8.881 -2.292 1.00 2.03 C ATOM 30 OG1 THR A 3 -14.761 -7.755 -3.177 1.00 2.79 O ATOM 31 CG2 THR A 3 -16.198 -8.963 -1.661 1.00 2.21 C ATOM 0 H THR A 3 -14.249 -7.789 0.569 1.00 1.12 H new ATOM 0 HA THR A 3 -13.796 -9.626 -0.542 1.00 0.81 H new ATOM 0 HB THR A 3 -14.637 -9.794 -2.859 1.00 2.03 H new ATOM 0 HG1 THR A 3 -13.881 -7.329 -3.108 1.00 2.79 H new ATOM 0 HG21 THR A 3 -16.952 -9.043 -2.444 1.00 2.21 H new ATOM 0 HG22 THR A 3 -16.251 -9.840 -1.015 1.00 2.21 H new ATOM 0 HG23 THR A 3 -16.382 -8.066 -1.070 1.00 2.21 H new ATOM 39 N THR A 4 -11.381 -9.388 -1.208 1.00 0.63 N ATOM 40 CA THR A 4 -10.024 -9.471 -1.737 1.00 0.58 C ATOM 41 C THR A 4 -9.922 -10.544 -2.814 1.00 0.56 C ATOM 42 O THR A 4 -10.338 -11.685 -2.608 1.00 0.75 O ATOM 43 CB THR A 4 -8.999 -9.778 -0.630 1.00 0.73 C ATOM 44 OG1 THR A 4 -9.390 -10.955 0.087 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.873 -8.609 0.336 1.00 0.89 C ATOM 0 H THR A 4 -11.508 -9.834 -0.299 1.00 0.63 H new ATOM 0 HA THR A 4 -9.797 -8.496 -2.169 1.00 0.58 H new ATOM 0 HB THR A 4 -8.030 -9.943 -1.101 1.00 0.73 H new ATOM 0 HG1 THR A 4 -9.796 -11.596 -0.533 1.00 0.93 H new ATOM 0 HG21 THR A 4 -8.143 -8.852 1.108 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.546 -7.722 -0.207 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.840 -8.414 0.800 1.00 0.89 H new ATOM 53 N THR A 5 -9.367 -10.170 -3.961 1.00 0.47 N ATOM 54 CA THR A 5 -9.201 -11.098 -5.073 1.00 0.52 C ATOM 55 C THR A 5 -8.434 -12.344 -4.635 1.00 0.69 C ATOM 56 O THR A 5 -7.599 -12.284 -3.732 1.00 1.62 O ATOM 57 CB THR A 5 -8.458 -10.427 -6.247 1.00 0.43 C ATOM 58 OG1 THR A 5 -9.187 -9.277 -6.691 1.00 0.49 O ATOM 59 CG2 THR A 5 -8.276 -11.393 -7.409 1.00 0.50 C ATOM 0 H THR A 5 -9.023 -9.227 -4.145 1.00 0.47 H new ATOM 0 HA THR A 5 -10.197 -11.391 -5.404 1.00 0.52 H new ATOM 0 HB THR A 5 -7.472 -10.125 -5.893 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.467 -9.406 -7.621 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.749 -10.891 -8.221 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.696 -12.255 -7.078 1.00 0.50 H new ATOM 0 HG23 THR A 5 -9.252 -11.726 -7.761 1.00 0.50 H new ATOM 67 N ASN A 6 -8.723 -13.471 -5.280 1.00 0.63 N ATOM 68 CA ASN A 6 -8.063 -14.734 -4.960 1.00 0.68 C ATOM 69 C ASN A 6 -6.565 -14.659 -5.251 1.00 0.57 C ATOM 70 O ASN A 6 -5.821 -15.599 -4.973 1.00 0.62 O ATOM 71 CB ASN A 6 -8.695 -15.874 -5.762 1.00 0.82 C ATOM 72 CG ASN A 6 -8.114 -17.230 -5.408 1.00 1.42 C ATOM 73 OD1 ASN A 6 -7.704 -17.468 -4.271 1.00 2.05 O ATOM 74 ND2 ASN A 6 -8.076 -18.129 -6.386 1.00 2.12 N ATOM 0 H ASN A 6 -9.412 -13.536 -6.030 1.00 0.63 H new ATOM 0 HA ASN A 6 -8.195 -14.927 -3.895 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -9.770 -15.886 -5.583 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -8.551 -15.688 -6.826 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -7.696 -19.059 -6.209 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -8.427 -17.889 -7.313 1.00 2.12 H new ATOM 81 N GLU A 7 -6.131 -13.534 -5.808 1.00 0.47 N ATOM 82 CA GLU A 7 -4.728 -13.335 -6.142 1.00 0.40 C ATOM 83 C GLU A 7 -3.958 -12.727 -4.973 1.00 0.42 C ATOM 84 O GLU A 7 -4.175 -11.572 -4.607 1.00 0.50 O ATOM 85 CB GLU A 7 -4.601 -12.436 -7.368 1.00 0.37 C ATOM 86 CG GLU A 7 -3.963 -13.120 -8.564 1.00 0.42 C ATOM 87 CD GLU A 7 -4.736 -14.343 -9.017 1.00 0.94 C ATOM 88 OE1 GLU A 7 -5.687 -14.185 -9.812 1.00 0.85 O ATOM 89 OE2 GLU A 7 -4.390 -15.459 -8.575 1.00 1.65 O ATOM 0 H GLU A 7 -6.734 -12.744 -6.038 1.00 0.47 H new ATOM 0 HA GLU A 7 -4.297 -14.312 -6.362 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.592 -12.080 -7.650 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -4.010 -11.559 -7.105 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.895 -12.411 -9.389 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.944 -13.412 -8.310 1.00 0.42 H new ATOM 96 N LYS A 8 -3.056 -13.514 -4.399 1.00 0.40 N ATOM 97 CA LYS A 8 -2.241 -13.064 -3.276 1.00 0.44 C ATOM 98 C LYS A 8 -1.039 -12.272 -3.779 1.00 0.41 C ATOM 99 O LYS A 8 -0.676 -11.241 -3.212 1.00 0.45 O ATOM 100 CB LYS A 8 -1.790 -14.279 -2.446 1.00 0.55 C ATOM 101 CG LYS A 8 -0.299 -14.326 -2.129 1.00 0.60 C ATOM 102 CD LYS A 8 0.079 -13.333 -1.042 1.00 0.58 C ATOM 103 CE LYS A 8 1.583 -13.246 -0.856 1.00 0.70 C ATOM 104 NZ LYS A 8 2.166 -14.540 -0.409 1.00 1.44 N ATOM 0 H LYS A 8 -2.870 -14.472 -4.694 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.834 -12.407 -2.640 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -2.346 -14.286 -1.508 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -2.061 -15.188 -2.984 1.00 0.55 H new ATOM 0 HG2 LYS A 8 -0.026 -15.333 -1.812 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.272 -14.111 -3.032 1.00 0.60 H new ATOM 0 HD2 LYS A 8 -0.313 -12.348 -1.297 1.00 0.58 H new ATOM 0 HD3 LYS A 8 -0.387 -13.628 -0.102 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.047 -12.944 -1.795 1.00 0.70 H new ATOM 0 HE3 LYS A 8 1.813 -12.472 -0.123 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 2.936 -14.359 0.266 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 1.429 -15.112 0.051 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 2.541 -15.054 -1.231 1.00 1.44 H new ATOM 118 N ILE A 9 -0.439 -12.763 -4.852 1.00 0.42 N ATOM 119 CA ILE A 9 0.733 -12.132 -5.443 1.00 0.43 C ATOM 120 C ILE A 9 0.354 -10.958 -6.343 1.00 0.36 C ATOM 121 O ILE A 9 -0.793 -10.511 -6.342 1.00 0.32 O ATOM 122 CB ILE A 9 1.552 -13.156 -6.253 1.00 0.49 C ATOM 123 CG1 ILE A 9 0.901 -13.435 -7.617 1.00 0.53 C ATOM 124 CG2 ILE A 9 1.690 -14.444 -5.456 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.533 -13.918 -7.533 1.00 0.51 C ATOM 0 H ILE A 9 -0.748 -13.606 -5.336 1.00 0.42 H new ATOM 0 HA ILE A 9 1.338 -11.751 -4.620 1.00 0.43 H new ATOM 0 HB ILE A 9 2.542 -12.739 -6.439 1.00 0.49 H new ATOM 0 HG12 ILE A 9 0.931 -12.524 -8.215 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.494 -14.182 -8.144 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.269 -15.167 -6.030 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.199 -14.237 -4.515 1.00 0.62 H new ATOM 0 HG23 ILE A 9 0.701 -14.853 -5.251 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.918 -14.091 -8.538 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.571 -14.847 -6.964 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -1.143 -13.163 -7.036 1.00 0.51 H new ATOM 137 N THR A 10 1.324 -10.467 -7.116 1.00 0.38 N ATOM 138 CA THR A 10 1.085 -9.340 -8.011 1.00 0.36 C ATOM 139 C THR A 10 2.247 -9.118 -8.979 1.00 0.42 C ATOM 140 O THR A 10 2.179 -8.248 -9.846 1.00 0.57 O ATOM 141 CB THR A 10 0.845 -8.052 -7.211 1.00 0.37 C ATOM 142 OG1 THR A 10 0.846 -6.916 -8.083 1.00 0.34 O ATOM 143 CG2 THR A 10 1.915 -7.887 -6.151 1.00 0.39 C ATOM 0 H THR A 10 2.276 -10.831 -7.139 1.00 0.38 H new ATOM 0 HA THR A 10 0.196 -9.585 -8.592 1.00 0.36 H new ATOM 0 HB THR A 10 -0.128 -8.123 -6.726 1.00 0.37 H new ATOM 0 HG1 THR A 10 0.001 -6.883 -8.578 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.734 -6.970 -5.591 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.888 -8.739 -5.471 1.00 0.39 H new ATOM 0 HG23 THR A 10 2.894 -7.833 -6.627 1.00 0.39 H new ATOM 151 N LYS A 11 3.316 -9.894 -8.833 1.00 0.43 N ATOM 152 CA LYS A 11 4.464 -9.764 -9.726 1.00 0.52 C ATOM 153 C LYS A 11 4.031 -10.069 -11.154 1.00 0.54 C ATOM 154 O LYS A 11 4.650 -9.622 -12.121 1.00 0.65 O ATOM 155 CB LYS A 11 5.592 -10.709 -9.298 1.00 0.61 C ATOM 156 CG LYS A 11 6.781 -10.711 -10.249 1.00 0.71 C ATOM 157 CD LYS A 11 7.025 -12.094 -10.837 1.00 1.08 C ATOM 158 CE LYS A 11 5.865 -12.544 -11.715 1.00 0.69 C ATOM 159 NZ LYS A 11 6.106 -13.889 -12.306 1.00 1.09 N ATOM 0 H LYS A 11 3.413 -10.611 -8.114 1.00 0.43 H new ATOM 0 HA LYS A 11 4.841 -8.743 -9.673 1.00 0.52 H new ATOM 0 HB2 LYS A 11 5.934 -10.425 -8.303 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.197 -11.722 -9.222 1.00 0.61 H new ATOM 0 HG2 LYS A 11 6.605 -9.998 -11.055 1.00 0.71 H new ATOM 0 HG3 LYS A 11 7.673 -10.378 -9.718 1.00 0.71 H new ATOM 0 HD2 LYS A 11 7.943 -12.083 -11.424 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.171 -12.812 -10.030 1.00 1.08 H new ATOM 0 HE2 LYS A 11 4.949 -12.566 -11.124 1.00 0.69 H new ATOM 0 HE3 LYS A 11 5.711 -11.819 -12.514 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 5.317 -14.137 -12.937 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 6.993 -13.876 -12.849 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 6.176 -14.595 -11.545 1.00 1.09 H new ATOM 173 N LEU A 12 2.955 -10.838 -11.264 1.00 0.56 N ATOM 174 CA LEU A 12 2.386 -11.216 -12.551 1.00 0.72 C ATOM 175 C LEU A 12 2.056 -9.970 -13.370 1.00 0.94 C ATOM 176 O LEU A 12 2.142 -9.976 -14.598 1.00 1.09 O ATOM 177 CB LEU A 12 1.135 -12.082 -12.321 1.00 0.85 C ATOM 178 CG LEU A 12 0.365 -12.534 -13.573 1.00 1.76 C ATOM 179 CD1 LEU A 12 -0.564 -11.435 -14.071 1.00 2.45 C ATOM 180 CD2 LEU A 12 1.319 -12.971 -14.676 1.00 2.34 C ATOM 0 H LEU A 12 2.452 -11.218 -10.462 1.00 0.56 H new ATOM 0 HA LEU A 12 3.113 -11.799 -13.116 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.435 -12.972 -11.767 1.00 0.85 H new ATOM 0 HB3 LEU A 12 0.449 -11.525 -11.683 1.00 0.85 H new ATOM 0 HG LEU A 12 -0.245 -13.393 -13.293 1.00 1.76 H new ATOM 0 HD11 LEU A 12 -1.096 -11.782 -14.957 1.00 2.45 H new ATOM 0 HD12 LEU A 12 -1.283 -11.185 -13.291 1.00 2.45 H new ATOM 0 HD13 LEU A 12 0.021 -10.550 -14.322 1.00 2.45 H new ATOM 0 HD21 LEU A 12 0.747 -13.285 -15.549 1.00 2.34 H new ATOM 0 HD22 LEU A 12 1.967 -12.138 -14.948 1.00 2.34 H new ATOM 0 HD23 LEU A 12 1.927 -13.803 -14.322 1.00 2.34 H new ATOM 192 N TYR A 13 1.682 -8.900 -12.673 1.00 1.02 N ATOM 193 CA TYR A 13 1.322 -7.636 -13.312 1.00 1.30 C ATOM 194 C TYR A 13 2.400 -7.150 -14.272 1.00 1.42 C ATOM 195 O TYR A 13 2.113 -6.409 -15.212 1.00 1.64 O ATOM 196 CB TYR A 13 1.087 -6.564 -12.246 1.00 1.46 C ATOM 197 CG TYR A 13 -0.309 -6.575 -11.684 1.00 0.79 C ATOM 198 CD1 TYR A 13 -1.315 -5.830 -12.283 1.00 1.62 C ATOM 199 CD2 TYR A 13 -0.631 -7.339 -10.571 1.00 0.84 C ATOM 200 CE1 TYR A 13 -2.604 -5.843 -11.789 1.00 2.38 C ATOM 201 CE2 TYR A 13 -1.919 -7.357 -10.069 1.00 1.86 C ATOM 202 CZ TYR A 13 -2.902 -6.609 -10.683 1.00 2.53 C ATOM 203 OH TYR A 13 -4.185 -6.623 -10.190 1.00 3.65 O ATOM 0 H TYR A 13 1.620 -8.884 -11.655 1.00 1.02 H new ATOM 0 HA TYR A 13 0.412 -7.812 -13.885 1.00 1.30 H new ATOM 0 HB2 TYR A 13 1.799 -6.708 -11.433 1.00 1.46 H new ATOM 0 HB3 TYR A 13 1.289 -5.583 -12.677 1.00 1.46 H new ATOM 0 HD1 TYR A 13 -1.085 -5.230 -13.151 1.00 1.62 H new ATOM 0 HD2 TYR A 13 0.136 -7.928 -10.090 1.00 0.84 H new ATOM 0 HE1 TYR A 13 -3.375 -5.256 -12.267 1.00 2.38 H new ATOM 0 HE2 TYR A 13 -2.154 -7.954 -9.200 1.00 1.86 H new ATOM 0 HH TYR A 13 -4.690 -5.875 -10.572 1.00 3.65 H new ATOM 213 N GLU A 14 3.635 -7.566 -14.039 1.00 1.33 N ATOM 214 CA GLU A 14 4.745 -7.150 -14.885 1.00 1.55 C ATOM 215 C GLU A 14 5.368 -8.337 -15.604 1.00 1.60 C ATOM 216 O GLU A 14 5.175 -8.521 -16.805 1.00 2.23 O ATOM 217 CB GLU A 14 5.802 -6.446 -14.046 1.00 1.72 C ATOM 218 CG GLU A 14 5.224 -5.692 -12.864 1.00 1.61 C ATOM 219 CD GLU A 14 4.260 -4.597 -13.279 1.00 1.85 C ATOM 220 OE1 GLU A 14 4.513 -3.943 -14.311 1.00 1.82 O ATOM 221 OE2 GLU A 14 3.252 -4.395 -12.570 1.00 2.53 O ATOM 0 H GLU A 14 3.895 -8.189 -13.274 1.00 1.33 H new ATOM 0 HA GLU A 14 4.356 -6.463 -15.636 1.00 1.55 H new ATOM 0 HB2 GLU A 14 6.518 -7.183 -13.683 1.00 1.72 H new ATOM 0 HB3 GLU A 14 6.353 -5.750 -14.678 1.00 1.72 H new ATOM 0 HG2 GLU A 14 4.709 -6.394 -12.208 1.00 1.61 H new ATOM 0 HG3 GLU A 14 6.037 -5.254 -12.286 1.00 1.61 H new ATOM 228 N LEU A 15 6.118 -9.137 -14.850 1.00 1.56 N ATOM 229 CA LEU A 15 6.789 -10.314 -15.388 1.00 1.66 C ATOM 230 C LEU A 15 7.827 -9.919 -16.440 1.00 1.98 C ATOM 231 O LEU A 15 9.020 -9.844 -16.148 1.00 2.56 O ATOM 232 CB LEU A 15 5.774 -11.293 -15.987 1.00 1.80 C ATOM 233 CG LEU A 15 6.373 -12.580 -16.557 1.00 1.98 C ATOM 234 CD1 LEU A 15 7.001 -13.414 -15.450 1.00 2.55 C ATOM 235 CD2 LEU A 15 5.310 -13.382 -17.295 1.00 1.86 C ATOM 0 H LEU A 15 6.276 -8.987 -13.854 1.00 1.56 H new ATOM 0 HA LEU A 15 7.304 -10.809 -14.565 1.00 1.66 H new ATOM 0 HB2 LEU A 15 5.050 -11.558 -15.217 1.00 1.80 H new ATOM 0 HB3 LEU A 15 5.225 -10.784 -16.779 1.00 1.80 H new ATOM 0 HG LEU A 15 7.155 -12.310 -17.267 1.00 1.98 H new ATOM 0 HD11 LEU A 15 7.422 -14.325 -15.875 1.00 2.55 H new ATOM 0 HD12 LEU A 15 7.792 -12.841 -14.966 1.00 2.55 H new ATOM 0 HD13 LEU A 15 6.240 -13.674 -14.714 1.00 2.55 H new ATOM 0 HD21 LEU A 15 5.754 -14.294 -17.694 1.00 1.86 H new ATOM 0 HD22 LEU A 15 4.506 -13.641 -16.606 1.00 1.86 H new ATOM 0 HD23 LEU A 15 4.908 -12.786 -18.114 1.00 1.86 H new ATOM 247 N GLY A 16 7.362 -9.670 -17.661 1.00 1.91 N ATOM 248 CA GLY A 16 8.260 -9.283 -18.734 1.00 2.22 C ATOM 249 C GLY A 16 7.948 -7.901 -19.276 1.00 1.97 C ATOM 250 O GLY A 16 6.973 -7.720 -20.006 1.00 2.27 O ATOM 0 H GLY A 16 6.379 -9.729 -17.926 1.00 1.91 H new ATOM 0 HA2 GLY A 16 9.287 -9.305 -18.371 1.00 2.22 H new ATOM 0 HA3 GLY A 16 8.192 -10.011 -19.542 1.00 2.22 H new ATOM 254 N GLY A 17 8.777 -6.925 -18.916 1.00 1.84 N ATOM 255 CA GLY A 17 8.567 -5.564 -19.377 1.00 1.71 C ATOM 256 C GLY A 17 8.808 -4.542 -18.283 1.00 1.63 C ATOM 257 O GLY A 17 9.284 -3.438 -18.548 1.00 2.45 O ATOM 0 H GLY A 17 9.590 -7.052 -18.313 1.00 1.84 H new ATOM 0 HA2 GLY A 17 9.233 -5.360 -20.215 1.00 1.71 H new ATOM 0 HA3 GLY A 17 7.547 -5.462 -19.748 1.00 1.71 H new ATOM 261 N GLU A 18 8.480 -4.916 -17.049 1.00 1.16 N ATOM 262 CA GLU A 18 8.662 -4.032 -15.904 1.00 0.97 C ATOM 263 C GLU A 18 9.284 -4.778 -14.731 1.00 0.88 C ATOM 264 O GLU A 18 8.617 -5.048 -13.735 1.00 0.81 O ATOM 265 CB GLU A 18 7.326 -3.412 -15.489 1.00 0.88 C ATOM 266 CG GLU A 18 6.777 -2.417 -16.497 1.00 1.36 C ATOM 267 CD GLU A 18 5.449 -1.825 -16.068 1.00 1.94 C ATOM 268 OE1 GLU A 18 5.454 -0.909 -15.220 1.00 2.69 O ATOM 269 OE2 GLU A 18 4.404 -2.280 -16.580 1.00 2.24 O ATOM 0 H GLU A 18 8.086 -5.828 -16.817 1.00 1.16 H new ATOM 0 HA GLU A 18 9.343 -3.234 -16.200 1.00 0.97 H new ATOM 0 HB2 GLU A 18 6.596 -4.208 -15.342 1.00 0.88 H new ATOM 0 HB3 GLU A 18 7.450 -2.912 -14.528 1.00 0.88 H new ATOM 0 HG2 GLU A 18 7.500 -1.614 -16.639 1.00 1.36 H new ATOM 0 HG3 GLU A 18 6.656 -2.911 -17.461 1.00 1.36 H new ATOM 276 N PRO A 19 10.577 -5.137 -14.844 1.00 0.92 N ATOM 277 CA PRO A 19 11.288 -5.839 -13.776 1.00 0.87 C ATOM 278 C PRO A 19 11.416 -4.963 -12.542 1.00 0.77 C ATOM 279 O PRO A 19 11.448 -5.455 -11.415 1.00 0.77 O ATOM 280 CB PRO A 19 12.666 -6.129 -14.381 1.00 0.98 C ATOM 281 CG PRO A 19 12.819 -5.127 -15.473 1.00 1.05 C ATOM 282 CD PRO A 19 11.441 -4.896 -16.014 1.00 1.05 C ATOM 0 HA PRO A 19 10.771 -6.742 -13.451 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.455 -6.026 -13.636 1.00 0.98 H new ATOM 0 HB3 PRO A 19 12.723 -7.147 -14.767 1.00 0.98 H new ATOM 0 HG2 PRO A 19 13.251 -4.200 -15.095 1.00 1.05 H new ATOM 0 HG3 PRO A 19 13.487 -5.496 -16.251 1.00 1.05 H new ATOM 0 HD2 PRO A 19 11.324 -3.883 -16.400 1.00 1.05 H new ATOM 0 HD3 PRO A 19 11.210 -5.577 -16.833 1.00 1.05 H new ATOM 290 N GLU A 20 11.484 -3.656 -12.771 1.00 0.72 N ATOM 291 CA GLU A 20 11.595 -2.696 -11.687 1.00 0.64 C ATOM 292 C GLU A 20 10.283 -2.621 -10.915 1.00 0.56 C ATOM 293 O GLU A 20 10.277 -2.645 -9.685 1.00 0.46 O ATOM 294 CB GLU A 20 11.963 -1.314 -12.231 1.00 0.65 C ATOM 295 CG GLU A 20 13.288 -1.287 -12.978 1.00 0.74 C ATOM 296 CD GLU A 20 14.464 -1.656 -12.094 1.00 1.61 C ATOM 297 OE1 GLU A 20 15.006 -0.757 -11.418 1.00 1.54 O ATOM 298 OE2 GLU A 20 14.843 -2.847 -12.077 1.00 2.56 O ATOM 0 H GLU A 20 11.464 -3.239 -13.702 1.00 0.72 H new ATOM 0 HA GLU A 20 12.385 -3.026 -11.012 1.00 0.64 H new ATOM 0 HB2 GLU A 20 11.172 -0.973 -12.899 1.00 0.65 H new ATOM 0 HB3 GLU A 20 12.008 -0.607 -11.403 1.00 0.65 H new ATOM 0 HG2 GLU A 20 13.240 -1.978 -13.820 1.00 0.74 H new ATOM 0 HG3 GLU A 20 13.447 -0.291 -13.391 1.00 0.74 H new ATOM 305 N ARG A 21 9.170 -2.540 -11.643 1.00 0.61 N ATOM 306 CA ARG A 21 7.857 -2.470 -11.008 1.00 0.55 C ATOM 307 C ARG A 21 7.502 -3.803 -10.365 1.00 0.49 C ATOM 308 O ARG A 21 6.866 -3.841 -9.313 1.00 0.40 O ATOM 309 CB ARG A 21 6.783 -2.063 -12.018 1.00 0.63 C ATOM 310 CG ARG A 21 5.901 -0.919 -11.537 1.00 0.78 C ATOM 311 CD ARG A 21 5.131 -1.291 -10.279 1.00 1.54 C ATOM 312 NE ARG A 21 5.559 -0.498 -9.129 1.00 2.01 N ATOM 313 CZ ARG A 21 5.603 -0.965 -7.885 1.00 2.86 C ATOM 314 NH1 ARG A 21 5.256 -2.219 -7.631 1.00 3.36 N ATOM 315 NH2 ARG A 21 5.994 -0.177 -6.894 1.00 3.57 N ATOM 0 H ARG A 21 9.151 -2.521 -12.663 1.00 0.61 H new ATOM 0 HA ARG A 21 7.899 -1.709 -10.229 1.00 0.55 H new ATOM 0 HB2 ARG A 21 7.265 -1.772 -12.952 1.00 0.63 H new ATOM 0 HB3 ARG A 21 6.156 -2.927 -12.238 1.00 0.63 H new ATOM 0 HG2 ARG A 21 6.518 -0.042 -11.340 1.00 0.78 H new ATOM 0 HG3 ARG A 21 5.200 -0.645 -12.325 1.00 0.78 H new ATOM 0 HD2 ARG A 21 4.065 -1.141 -10.448 1.00 1.54 H new ATOM 0 HD3 ARG A 21 5.274 -2.350 -10.064 1.00 1.54 H new ATOM 0 HE ARG A 21 5.840 0.469 -9.290 1.00 2.01 H new ATOM 0 HH11 ARG A 21 4.954 -2.829 -8.391 1.00 3.36 H new ATOM 0 HH12 ARG A 21 5.291 -2.574 -6.676 1.00 3.36 H new ATOM 0 HH21 ARG A 21 6.261 0.789 -7.085 1.00 3.57 H new ATOM 0 HH22 ARG A 21 6.027 -0.536 -5.940 1.00 3.57 H new ATOM 329 N LYS A 22 7.906 -4.897 -11.004 1.00 0.56 N ATOM 330 CA LYS A 22 7.640 -6.221 -10.466 1.00 0.54 C ATOM 331 C LYS A 22 8.505 -6.453 -9.238 1.00 0.48 C ATOM 332 O LYS A 22 8.103 -7.141 -8.301 1.00 0.44 O ATOM 333 CB LYS A 22 7.886 -7.301 -11.529 1.00 0.68 C ATOM 334 CG LYS A 22 9.201 -8.047 -11.383 1.00 0.64 C ATOM 335 CD LYS A 22 9.552 -8.793 -12.659 1.00 0.72 C ATOM 336 CE LYS A 22 10.862 -9.551 -12.520 1.00 0.79 C ATOM 337 NZ LYS A 22 11.235 -10.249 -13.782 1.00 1.43 N ATOM 0 H LYS A 22 8.415 -4.891 -11.888 1.00 0.56 H new ATOM 0 HA LYS A 22 6.592 -6.284 -10.174 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.069 -8.022 -11.491 1.00 0.68 H new ATOM 0 HB3 LYS A 22 7.855 -6.836 -12.514 1.00 0.68 H new ATOM 0 HG2 LYS A 22 9.997 -7.343 -11.139 1.00 0.64 H new ATOM 0 HG3 LYS A 22 9.133 -8.751 -10.554 1.00 0.64 H new ATOM 0 HD2 LYS A 22 8.751 -9.490 -12.906 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.625 -8.087 -13.486 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.655 -8.857 -12.240 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.776 -10.279 -11.714 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 11.319 -11.270 -13.602 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 10.502 -10.083 -14.500 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 12.146 -9.882 -14.126 1.00 1.43 H new ATOM 351 N MET A 23 9.702 -5.871 -9.252 1.00 0.50 N ATOM 352 CA MET A 23 10.613 -5.995 -8.126 1.00 0.48 C ATOM 353 C MET A 23 10.044 -5.257 -6.926 1.00 0.39 C ATOM 354 O MET A 23 9.983 -5.804 -5.828 1.00 0.38 O ATOM 355 CB MET A 23 11.991 -5.432 -8.477 1.00 0.54 C ATOM 356 CG MET A 23 12.967 -5.441 -7.310 1.00 0.56 C ATOM 357 SD MET A 23 14.557 -4.699 -7.726 1.00 1.25 S ATOM 358 CE MET A 23 15.091 -5.761 -9.067 1.00 1.23 C ATOM 0 H MET A 23 10.059 -5.313 -10.028 1.00 0.50 H new ATOM 0 HA MET A 23 10.726 -7.052 -7.885 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.413 -6.012 -9.298 1.00 0.54 H new ATOM 0 HB3 MET A 23 11.876 -4.409 -8.836 1.00 0.54 H new ATOM 0 HG2 MET A 23 12.528 -4.902 -6.470 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.125 -6.468 -6.982 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.167 -5.659 -9.206 1.00 1.23 H new ATOM 0 HE2 MET A 23 14.853 -6.797 -8.827 1.00 1.23 H new ATOM 0 HE3 MET A 23 14.578 -5.474 -9.985 1.00 1.23 H new ATOM 368 N TRP A 24 9.604 -4.019 -7.154 1.00 0.37 N ATOM 369 CA TRP A 24 9.026 -3.203 -6.093 1.00 0.31 C ATOM 370 C TRP A 24 7.760 -3.860 -5.561 1.00 0.25 C ATOM 371 O TRP A 24 7.581 -4.002 -4.346 1.00 0.29 O ATOM 372 CB TRP A 24 8.722 -1.789 -6.602 1.00 0.34 C ATOM 373 CG TRP A 24 9.954 -1.011 -6.962 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.147 -1.011 -6.297 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.111 -0.114 -8.068 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.038 -0.173 -6.926 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.425 0.389 -8.014 1.00 1.01 C ATOM 378 CE3 TRP A 24 9.268 0.310 -9.100 1.00 1.77 C ATOM 379 CZ2 TRP A 24 11.914 1.295 -8.952 1.00 1.49 C ATOM 380 CZ3 TRP A 24 9.755 1.210 -10.030 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.068 1.693 -9.951 1.00 2.12 C ATOM 0 H TRP A 24 9.638 -3.562 -8.065 1.00 0.37 H new ATOM 0 HA TRP A 24 9.750 -3.124 -5.282 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.075 -1.856 -7.476 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.168 -1.246 -5.836 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.360 -1.585 -5.407 1.00 1.02 H new ATOM 0 HE1 TRP A 24 12.999 0.001 -6.630 1.00 1.14 H new ATOM 0 HE3 TRP A 24 8.255 -0.059 -9.169 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 12.925 1.670 -8.893 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 9.113 1.546 -10.831 1.00 2.34 H new ATOM 0 HH2 TRP A 24 11.419 2.394 -10.694 1.00 2.12 H new ATOM 392 N VAL A 25 6.882 -4.266 -6.475 1.00 0.21 N ATOM 393 CA VAL A 25 5.655 -4.930 -6.077 1.00 0.20 C ATOM 394 C VAL A 25 6.021 -6.181 -5.277 1.00 0.22 C ATOM 395 O VAL A 25 5.354 -6.543 -4.300 1.00 0.22 O ATOM 396 CB VAL A 25 4.756 -5.287 -7.299 1.00 0.25 C ATOM 397 CG1 VAL A 25 4.970 -6.723 -7.755 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.291 -5.041 -6.967 1.00 0.30 C ATOM 0 H VAL A 25 6.999 -4.147 -7.481 1.00 0.21 H new ATOM 0 HA VAL A 25 5.069 -4.250 -5.459 1.00 0.20 H new ATOM 0 HB VAL A 25 5.044 -4.637 -8.125 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.326 -6.934 -8.609 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.012 -6.862 -8.044 1.00 0.32 H new ATOM 0 HG13 VAL A 25 4.726 -7.404 -6.940 1.00 0.32 H new ATOM 0 HG21 VAL A 25 2.675 -5.295 -7.830 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.001 -5.661 -6.119 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.147 -3.991 -6.714 1.00 0.30 H new ATOM 408 N ASP A 26 7.120 -6.818 -5.689 1.00 0.28 N ATOM 409 CA ASP A 26 7.615 -8.005 -5.010 1.00 0.35 C ATOM 410 C ASP A 26 8.133 -7.630 -3.628 1.00 0.35 C ATOM 411 O ASP A 26 8.065 -8.428 -2.696 1.00 0.38 O ATOM 412 CB ASP A 26 8.725 -8.674 -5.824 1.00 0.45 C ATOM 413 CG ASP A 26 9.225 -9.951 -5.176 1.00 0.53 C ATOM 414 OD1 ASP A 26 10.141 -9.868 -4.331 1.00 0.58 O ATOM 415 OD2 ASP A 26 8.699 -11.033 -5.513 1.00 0.60 O ATOM 0 H ASP A 26 7.680 -6.527 -6.490 1.00 0.28 H new ATOM 0 HA ASP A 26 6.793 -8.714 -4.907 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.354 -8.898 -6.824 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.556 -7.979 -5.940 1.00 0.45 H new ATOM 420 N ARG A 27 8.667 -6.412 -3.506 1.00 0.36 N ATOM 421 CA ARG A 27 9.166 -5.930 -2.222 1.00 0.42 C ATOM 422 C ARG A 27 8.006 -5.838 -1.252 1.00 0.34 C ATOM 423 O ARG A 27 8.113 -6.228 -0.089 1.00 0.35 O ATOM 424 CB ARG A 27 9.825 -4.552 -2.358 1.00 0.56 C ATOM 425 CG ARG A 27 10.970 -4.498 -3.352 1.00 0.99 C ATOM 426 CD ARG A 27 12.047 -5.524 -3.033 1.00 1.61 C ATOM 427 NE ARG A 27 13.183 -5.423 -3.945 1.00 2.45 N ATOM 428 CZ ARG A 27 14.341 -6.049 -3.757 1.00 3.19 C ATOM 429 NH1 ARG A 27 14.517 -6.824 -2.694 1.00 3.22 N ATOM 430 NH2 ARG A 27 15.326 -5.899 -4.632 1.00 4.08 N ATOM 0 H ARG A 27 8.763 -5.749 -4.275 1.00 0.36 H new ATOM 0 HA ARG A 27 9.919 -6.629 -1.857 1.00 0.42 H new ATOM 0 HB2 ARG A 27 9.067 -3.828 -2.657 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.194 -4.242 -1.380 1.00 0.56 H new ATOM 0 HG2 ARG A 27 10.587 -4.674 -4.357 1.00 0.99 H new ATOM 0 HG3 ARG A 27 11.407 -3.500 -3.348 1.00 0.99 H new ATOM 0 HD2 ARG A 27 12.391 -5.383 -2.008 1.00 1.61 H new ATOM 0 HD3 ARG A 27 11.622 -6.526 -3.092 1.00 1.61 H new ATOM 0 HE ARG A 27 13.082 -4.838 -4.775 1.00 2.45 H new ATOM 0 HH11 ARG A 27 13.762 -6.941 -2.018 1.00 3.22 H new ATOM 0 HH12 ARG A 27 15.407 -7.302 -2.553 1.00 3.22 H new ATOM 0 HH21 ARG A 27 15.196 -5.303 -5.450 1.00 4.08 H new ATOM 0 HH22 ARG A 27 16.214 -6.379 -4.487 1.00 4.08 H new ATOM 444 N TYR A 28 6.895 -5.307 -1.748 1.00 0.31 N ATOM 445 CA TYR A 28 5.691 -5.166 -0.945 1.00 0.35 C ATOM 446 C TYR A 28 5.200 -6.534 -0.484 1.00 0.33 C ATOM 447 O TYR A 28 4.887 -6.732 0.693 1.00 0.38 O ATOM 448 CB TYR A 28 4.607 -4.455 -1.765 1.00 0.41 C ATOM 449 CG TYR A 28 3.240 -4.411 -1.112 1.00 0.72 C ATOM 450 CD1 TYR A 28 3.096 -4.355 0.271 1.00 0.98 C ATOM 451 CD2 TYR A 28 2.090 -4.424 -1.889 1.00 1.47 C ATOM 452 CE1 TYR A 28 1.848 -4.317 0.857 1.00 1.22 C ATOM 453 CE2 TYR A 28 0.837 -4.384 -1.310 1.00 1.82 C ATOM 454 CZ TYR A 28 0.723 -4.332 0.064 1.00 1.48 C ATOM 455 OH TYR A 28 -0.521 -4.295 0.649 1.00 1.87 O ATOM 0 H TYR A 28 6.805 -4.967 -2.705 1.00 0.31 H new ATOM 0 HA TYR A 28 5.917 -4.569 -0.062 1.00 0.35 H new ATOM 0 HB2 TYR A 28 4.932 -3.434 -1.962 1.00 0.41 H new ATOM 0 HB3 TYR A 28 4.517 -4.953 -2.730 1.00 0.41 H new ATOM 0 HD1 TYR A 28 3.977 -4.341 0.896 1.00 0.98 H new ATOM 0 HD2 TYR A 28 2.177 -4.466 -2.965 1.00 1.47 H new ATOM 0 HE1 TYR A 28 1.754 -4.276 1.932 1.00 1.22 H new ATOM 0 HE2 TYR A 28 -0.048 -4.393 -1.929 1.00 1.82 H new ATOM 0 HH TYR A 28 -0.573 -3.529 1.258 1.00 1.87 H new ATOM 465 N LEU A 29 5.156 -7.481 -1.412 1.00 0.34 N ATOM 466 CA LEU A 29 4.712 -8.832 -1.091 1.00 0.45 C ATOM 467 C LEU A 29 5.660 -9.490 -0.097 1.00 0.41 C ATOM 468 O LEU A 29 5.228 -10.127 0.864 1.00 0.44 O ATOM 469 CB LEU A 29 4.593 -9.666 -2.368 1.00 0.59 C ATOM 470 CG LEU A 29 3.268 -9.507 -3.123 1.00 0.74 C ATOM 471 CD1 LEU A 29 2.213 -10.432 -2.542 1.00 0.97 C ATOM 472 CD2 LEU A 29 2.781 -8.064 -3.077 1.00 1.33 C ATOM 0 H LEU A 29 5.420 -7.341 -2.387 1.00 0.34 H new ATOM 0 HA LEU A 29 3.728 -8.774 -0.625 1.00 0.45 H new ATOM 0 HB2 LEU A 29 5.410 -9.397 -3.037 1.00 0.59 H new ATOM 0 HB3 LEU A 29 4.724 -10.717 -2.111 1.00 0.59 H new ATOM 0 HG LEU A 29 3.441 -9.777 -4.165 1.00 0.74 H new ATOM 0 HD11 LEU A 29 1.278 -10.307 -3.089 1.00 0.97 H new ATOM 0 HD12 LEU A 29 2.548 -11.466 -2.628 1.00 0.97 H new ATOM 0 HD13 LEU A 29 2.054 -10.188 -1.492 1.00 0.97 H new ATOM 0 HD21 LEU A 29 1.840 -7.980 -3.620 1.00 1.33 H new ATOM 0 HD22 LEU A 29 2.630 -7.764 -2.040 1.00 1.33 H new ATOM 0 HD23 LEU A 29 3.525 -7.414 -3.538 1.00 1.33 H new ATOM 484 N ALA A 30 6.956 -9.323 -0.326 1.00 0.41 N ATOM 485 CA ALA A 30 7.961 -9.885 0.561 1.00 0.48 C ATOM 486 C ALA A 30 7.834 -9.266 1.945 1.00 0.38 C ATOM 487 O ALA A 30 8.096 -9.915 2.959 1.00 0.42 O ATOM 488 CB ALA A 30 9.356 -9.658 0.000 1.00 0.63 C ATOM 0 H ALA A 30 7.334 -8.803 -1.118 1.00 0.41 H new ATOM 0 HA ALA A 30 7.799 -10.960 0.640 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.095 -10.086 0.678 1.00 0.63 H new ATOM 0 HB2 ALA A 30 9.438 -10.137 -0.976 1.00 0.63 H new ATOM 0 HB3 ALA A 30 9.536 -8.588 -0.105 1.00 0.63 H new ATOM 494 N PHE A 31 7.420 -8.001 1.976 1.00 0.33 N ATOM 495 CA PHE A 31 7.245 -7.287 3.231 1.00 0.37 C ATOM 496 C PHE A 31 6.081 -7.876 4.016 1.00 0.34 C ATOM 497 O PHE A 31 6.205 -8.137 5.209 1.00 0.38 O ATOM 498 CB PHE A 31 7.007 -5.796 2.974 1.00 0.48 C ATOM 499 CG PHE A 31 6.913 -4.976 4.230 1.00 0.65 C ATOM 500 CD1 PHE A 31 8.051 -4.674 4.962 1.00 0.78 C ATOM 501 CD2 PHE A 31 5.689 -4.508 4.681 1.00 0.82 C ATOM 502 CE1 PHE A 31 7.969 -3.921 6.118 1.00 0.95 C ATOM 503 CE2 PHE A 31 5.600 -3.754 5.836 1.00 0.99 C ATOM 504 CZ PHE A 31 6.742 -3.461 6.556 1.00 1.02 C ATOM 0 H PHE A 31 7.200 -7.453 1.144 1.00 0.33 H new ATOM 0 HA PHE A 31 8.157 -7.396 3.818 1.00 0.37 H new ATOM 0 HB2 PHE A 31 7.818 -5.408 2.357 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.086 -5.677 2.403 1.00 0.48 H new ATOM 0 HD1 PHE A 31 9.013 -5.031 4.625 1.00 0.78 H new ATOM 0 HD2 PHE A 31 4.793 -4.735 4.123 1.00 0.82 H new ATOM 0 HE1 PHE A 31 8.863 -3.692 6.679 1.00 0.95 H new ATOM 0 HE2 PHE A 31 4.640 -3.395 6.175 1.00 0.99 H new ATOM 0 HZ PHE A 31 6.676 -2.873 7.460 1.00 1.02 H new ATOM 514 N THR A 32 4.962 -8.114 3.333 1.00 0.36 N ATOM 515 CA THR A 32 3.781 -8.683 3.983 1.00 0.46 C ATOM 516 C THR A 32 4.086 -10.076 4.513 1.00 0.43 C ATOM 517 O THR A 32 3.668 -10.439 5.613 1.00 0.48 O ATOM 518 CB THR A 32 2.587 -8.771 3.012 1.00 0.57 C ATOM 519 OG1 THR A 32 2.889 -9.671 1.941 1.00 0.56 O ATOM 520 CG2 THR A 32 2.248 -7.401 2.447 1.00 0.60 C ATOM 0 H THR A 32 4.848 -7.924 2.337 1.00 0.36 H new ATOM 0 HA THR A 32 3.516 -8.020 4.807 1.00 0.46 H new ATOM 0 HB THR A 32 1.725 -9.143 3.566 1.00 0.57 H new ATOM 0 HG1 THR A 32 3.758 -9.438 1.553 1.00 0.56 H new ATOM 0 HG21 THR A 32 1.403 -7.488 1.765 1.00 0.60 H new ATOM 0 HG22 THR A 32 1.988 -6.725 3.262 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.110 -7.006 1.909 1.00 0.60 H new ATOM 528 N GLU A 33 4.818 -10.851 3.723 1.00 0.43 N ATOM 529 CA GLU A 33 5.196 -12.201 4.115 1.00 0.50 C ATOM 530 C GLU A 33 6.224 -12.158 5.241 1.00 0.45 C ATOM 531 O GLU A 33 6.281 -13.056 6.081 1.00 0.46 O ATOM 532 CB GLU A 33 5.755 -12.959 2.914 1.00 0.64 C ATOM 533 CG GLU A 33 4.791 -13.012 1.745 1.00 0.47 C ATOM 534 CD GLU A 33 5.436 -13.541 0.478 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.017 -12.731 -0.274 1.00 1.45 O ATOM 536 OE2 GLU A 33 5.359 -14.764 0.240 1.00 1.10 O ATOM 0 H GLU A 33 5.162 -10.567 2.806 1.00 0.43 H new ATOM 0 HA GLU A 33 4.309 -12.722 4.476 1.00 0.50 H new ATOM 0 HB2 GLU A 33 6.682 -12.485 2.592 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.005 -13.976 3.218 1.00 0.64 H new ATOM 0 HG2 GLU A 33 3.943 -13.644 2.007 1.00 0.47 H new ATOM 0 HG3 GLU A 33 4.398 -12.013 1.558 1.00 0.47 H new ATOM 543 N GLU A 34 7.040 -11.108 5.242 1.00 0.45 N ATOM 544 CA GLU A 34 8.069 -10.932 6.259 1.00 0.52 C ATOM 545 C GLU A 34 7.458 -10.895 7.656 1.00 0.49 C ATOM 546 O GLU A 34 8.050 -11.390 8.615 1.00 0.55 O ATOM 547 CB GLU A 34 8.851 -9.642 6.001 1.00 0.61 C ATOM 548 CG GLU A 34 10.105 -9.510 6.851 1.00 0.73 C ATOM 549 CD GLU A 34 11.121 -10.598 6.561 1.00 1.37 C ATOM 550 OE1 GLU A 34 11.853 -10.473 5.557 1.00 1.28 O ATOM 551 OE2 GLU A 34 11.184 -11.574 7.337 1.00 2.24 O ATOM 0 H GLU A 34 7.007 -10.363 4.546 1.00 0.45 H new ATOM 0 HA GLU A 34 8.748 -11.783 6.203 1.00 0.52 H new ATOM 0 HB2 GLU A 34 9.130 -9.600 4.948 1.00 0.61 H new ATOM 0 HB3 GLU A 34 8.201 -8.788 6.192 1.00 0.61 H new ATOM 0 HG2 GLU A 34 10.560 -8.536 6.673 1.00 0.73 H new ATOM 0 HG3 GLU A 34 9.831 -9.545 7.905 1.00 0.73 H new ATOM 558 N LYS A 35 6.270 -10.303 7.767 1.00 0.47 N ATOM 559 CA LYS A 35 5.586 -10.204 9.053 1.00 0.53 C ATOM 560 C LYS A 35 4.625 -11.367 9.249 1.00 0.45 C ATOM 561 O LYS A 35 3.875 -11.401 10.225 1.00 0.55 O ATOM 562 CB LYS A 35 4.805 -8.892 9.153 1.00 0.74 C ATOM 563 CG LYS A 35 5.570 -7.694 8.632 1.00 0.97 C ATOM 564 CD LYS A 35 4.887 -7.095 7.414 1.00 1.26 C ATOM 565 CE LYS A 35 3.618 -6.348 7.793 1.00 2.35 C ATOM 566 NZ LYS A 35 2.951 -5.751 6.605 1.00 3.30 N ATOM 0 H LYS A 35 5.764 -9.887 6.985 1.00 0.47 H new ATOM 0 HA LYS A 35 6.349 -10.233 9.831 1.00 0.53 H new ATOM 0 HB2 LYS A 35 3.874 -8.989 8.595 1.00 0.74 H new ATOM 0 HB3 LYS A 35 4.536 -8.717 10.195 1.00 0.74 H new ATOM 0 HG2 LYS A 35 5.649 -6.940 9.416 1.00 0.97 H new ATOM 0 HG3 LYS A 35 6.586 -7.992 8.373 1.00 0.97 H new ATOM 0 HD2 LYS A 35 5.573 -6.415 6.910 1.00 1.26 H new ATOM 0 HD3 LYS A 35 4.645 -7.887 6.706 1.00 1.26 H new ATOM 0 HE2 LYS A 35 2.930 -7.031 8.291 1.00 2.35 H new ATOM 0 HE3 LYS A 35 3.859 -5.561 8.508 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 2.032 -5.353 6.886 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 3.550 -4.996 6.214 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 2.804 -6.486 5.884 1.00 3.30 H new ATOM 580 N ALA A 36 4.652 -12.322 8.322 1.00 0.43 N ATOM 581 CA ALA A 36 3.756 -13.468 8.394 1.00 0.63 C ATOM 582 C ALA A 36 2.317 -12.980 8.488 1.00 0.78 C ATOM 583 O ALA A 36 1.476 -13.592 9.148 1.00 0.99 O ATOM 584 CB ALA A 36 4.106 -14.347 9.586 1.00 0.74 C ATOM 0 H ALA A 36 5.281 -12.324 7.519 1.00 0.43 H new ATOM 0 HA ALA A 36 3.869 -14.069 7.492 1.00 0.63 H new ATOM 0 HB1 ALA A 36 3.426 -15.198 9.623 1.00 0.74 H new ATOM 0 HB2 ALA A 36 5.130 -14.706 9.485 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.013 -13.768 10.505 1.00 0.74 H new ATOM 590 N MET A 37 2.050 -11.868 7.808 1.00 0.79 N ATOM 591 CA MET A 37 0.731 -11.250 7.807 1.00 1.04 C ATOM 592 C MET A 37 -0.356 -12.232 7.373 1.00 1.22 C ATOM 593 O MET A 37 -1.546 -11.973 7.561 1.00 1.43 O ATOM 594 CB MET A 37 0.733 -10.023 6.897 1.00 1.08 C ATOM 595 CG MET A 37 -0.072 -8.858 7.449 1.00 1.38 C ATOM 596 SD MET A 37 -0.991 -7.972 6.176 1.00 2.05 S ATOM 597 CE MET A 37 0.337 -7.132 5.316 1.00 1.97 C ATOM 0 H MET A 37 2.741 -11.373 7.244 1.00 0.79 H new ATOM 0 HA MET A 37 0.504 -10.944 8.828 1.00 1.04 H new ATOM 0 HB2 MET A 37 1.762 -9.700 6.738 1.00 1.08 H new ATOM 0 HB3 MET A 37 0.332 -10.302 5.923 1.00 1.08 H new ATOM 0 HG2 MET A 37 -0.769 -9.229 8.201 1.00 1.38 H new ATOM 0 HG3 MET A 37 0.601 -8.164 7.953 1.00 1.38 H new ATOM 0 HE1 MET A 37 0.066 -6.999 4.269 1.00 1.97 H new ATOM 0 HE2 MET A 37 0.507 -6.157 5.773 1.00 1.97 H new ATOM 0 HE3 MET A 37 1.247 -7.728 5.382 1.00 1.97 H new ATOM 607 N GLY A 38 0.053 -13.356 6.791 1.00 1.22 N ATOM 608 CA GLY A 38 -0.907 -14.353 6.351 1.00 1.49 C ATOM 609 C GLY A 38 -0.481 -15.057 5.078 1.00 1.30 C ATOM 610 O GLY A 38 -0.924 -16.173 4.804 1.00 1.95 O ATOM 0 H GLY A 38 1.029 -13.594 6.617 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -1.045 -15.092 7.141 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -1.873 -13.875 6.190 1.00 1.49 H new ATOM 614 N MET A 39 0.375 -14.400 4.298 1.00 1.05 N ATOM 615 CA MET A 39 0.865 -14.962 3.042 1.00 0.97 C ATOM 616 C MET A 39 -0.274 -15.147 2.041 1.00 0.81 C ATOM 617 O MET A 39 -0.085 -15.731 0.974 1.00 0.93 O ATOM 618 CB MET A 39 1.567 -16.300 3.291 1.00 1.47 C ATOM 619 CG MET A 39 2.720 -16.208 4.278 1.00 1.62 C ATOM 620 SD MET A 39 3.511 -17.801 4.568 1.00 2.14 S ATOM 621 CE MET A 39 2.147 -18.736 5.257 1.00 2.33 C ATOM 0 H MET A 39 0.745 -13.474 4.515 1.00 1.05 H new ATOM 0 HA MET A 39 1.583 -14.259 2.619 1.00 0.97 H new ATOM 0 HB2 MET A 39 0.838 -17.020 3.663 1.00 1.47 H new ATOM 0 HB3 MET A 39 1.941 -16.686 2.343 1.00 1.47 H new ATOM 0 HG2 MET A 39 3.460 -15.502 3.902 1.00 1.62 H new ATOM 0 HG3 MET A 39 2.353 -15.811 5.224 1.00 1.62 H new ATOM 0 HE1 MET A 39 2.515 -19.386 6.051 1.00 2.33 H new ATOM 0 HE2 MET A 39 1.405 -18.050 5.665 1.00 2.33 H new ATOM 0 HE3 MET A 39 1.690 -19.342 4.475 1.00 2.33 H new ATOM 631 N THR A 40 -1.454 -14.646 2.393 1.00 0.66 N ATOM 632 CA THR A 40 -2.622 -14.747 1.524 1.00 0.60 C ATOM 633 C THR A 40 -2.847 -13.431 0.785 1.00 0.51 C ATOM 634 O THR A 40 -1.958 -12.582 0.743 1.00 0.46 O ATOM 635 CB THR A 40 -3.888 -15.118 2.328 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.956 -15.465 1.438 1.00 1.26 O ATOM 637 CG2 THR A 40 -4.324 -13.967 3.224 1.00 0.85 C ATOM 0 H THR A 40 -1.627 -14.165 3.276 1.00 0.66 H new ATOM 0 HA THR A 40 -2.431 -15.539 0.800 1.00 0.60 H new ATOM 0 HB THR A 40 -3.647 -15.975 2.957 1.00 0.70 H new ATOM 0 HG1 THR A 40 -4.585 -15.746 0.576 1.00 1.26 H new ATOM 0 HG21 THR A 40 -5.217 -14.256 3.778 1.00 0.85 H new ATOM 0 HG22 THR A 40 -3.524 -13.728 3.924 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.544 -13.092 2.612 1.00 0.85 H new ATOM 645 N ASN A 41 -4.042 -13.235 0.240 1.00 0.52 N ATOM 646 CA ASN A 41 -4.328 -12.012 -0.497 1.00 0.46 C ATOM 647 C ASN A 41 -4.947 -10.966 0.425 1.00 0.49 C ATOM 648 O ASN A 41 -5.908 -11.242 1.143 1.00 0.58 O ATOM 649 CB ASN A 41 -5.293 -12.303 -1.650 1.00 0.49 C ATOM 650 CG ASN A 41 -5.561 -13.786 -1.822 1.00 1.34 C ATOM 651 OD1 ASN A 41 -4.875 -14.471 -2.579 1.00 2.35 O ATOM 652 ND2 ASN A 41 -6.565 -14.289 -1.116 1.00 1.61 N ATOM 0 H ASN A 41 -4.817 -13.896 0.293 1.00 0.52 H new ATOM 0 HA ASN A 41 -3.390 -11.627 -0.897 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -6.235 -11.785 -1.471 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.880 -11.902 -2.575 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -6.794 -15.280 -1.189 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -7.108 -13.684 -0.500 1.00 1.61 H new ATOM 659 N LEU A 42 -4.383 -9.765 0.396 1.00 0.44 N ATOM 660 CA LEU A 42 -4.866 -8.659 1.217 1.00 0.52 C ATOM 661 C LEU A 42 -4.988 -7.373 0.393 1.00 0.49 C ATOM 662 O LEU A 42 -6.060 -6.769 0.344 1.00 0.60 O ATOM 663 CB LEU A 42 -3.955 -8.441 2.425 1.00 0.57 C ATOM 664 CG LEU A 42 -4.287 -7.225 3.262 1.00 1.60 C ATOM 665 CD1 LEU A 42 -4.574 -7.616 4.704 1.00 2.08 C ATOM 666 CD2 LEU A 42 -3.128 -6.278 3.178 1.00 2.15 C ATOM 0 H LEU A 42 -3.584 -9.530 -0.192 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.859 -8.922 1.580 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -4.001 -9.325 3.061 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.926 -8.353 2.075 1.00 0.57 H new ATOM 0 HG LEU A 42 -5.188 -6.744 2.882 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -4.810 -6.723 5.283 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -5.421 -8.302 4.733 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -3.697 -8.104 5.130 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -3.340 -5.390 3.773 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -2.231 -6.766 3.560 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -2.969 -5.989 2.139 1.00 2.15 H new ATOM 678 N PRO A 43 -3.886 -6.926 -0.250 1.00 0.38 N ATOM 679 CA PRO A 43 -3.889 -5.714 -1.087 1.00 0.40 C ATOM 680 C PRO A 43 -4.686 -5.891 -2.381 1.00 0.37 C ATOM 681 O PRO A 43 -4.358 -5.286 -3.402 1.00 0.35 O ATOM 682 CB PRO A 43 -2.414 -5.506 -1.441 1.00 0.40 C ATOM 683 CG PRO A 43 -1.754 -6.824 -1.218 1.00 0.32 C ATOM 684 CD PRO A 43 -2.552 -7.550 -0.186 1.00 0.34 C ATOM 0 HA PRO A 43 -4.351 -4.880 -0.558 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -2.302 -5.182 -2.476 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.967 -4.734 -0.815 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.714 -7.396 -2.145 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.726 -6.687 -0.883 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.602 -8.618 -0.400 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -2.111 -7.444 0.805 1.00 0.34 H new ATOM 692 N ALA A 44 -5.744 -6.695 -2.337 1.00 0.42 N ATOM 693 CA ALA A 44 -6.556 -6.947 -3.521 1.00 0.42 C ATOM 694 C ALA A 44 -7.905 -6.245 -3.420 1.00 0.47 C ATOM 695 O ALA A 44 -8.489 -6.152 -2.341 1.00 0.59 O ATOM 696 CB ALA A 44 -6.755 -8.443 -3.706 1.00 0.52 C ATOM 0 H ALA A 44 -6.058 -7.181 -1.497 1.00 0.42 H new ATOM 0 HA ALA A 44 -6.031 -6.546 -4.388 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -7.363 -8.622 -4.593 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.786 -8.927 -3.826 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -7.259 -8.854 -2.831 1.00 0.52 H new ATOM 702 N VAL A 45 -8.392 -5.750 -4.556 1.00 0.42 N ATOM 703 CA VAL A 45 -9.668 -5.047 -4.600 1.00 0.47 C ATOM 704 C VAL A 45 -10.702 -5.839 -5.401 1.00 0.53 C ATOM 705 O VAL A 45 -10.343 -6.620 -6.282 1.00 0.55 O ATOM 706 CB VAL A 45 -9.515 -3.627 -5.191 1.00 0.41 C ATOM 707 CG1 VAL A 45 -8.241 -2.971 -4.675 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.528 -3.648 -6.713 1.00 0.34 C ATOM 0 H VAL A 45 -7.921 -5.824 -5.457 1.00 0.42 H new ATOM 0 HA VAL A 45 -10.018 -4.951 -3.572 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.371 -3.038 -4.864 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.148 -1.972 -5.101 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.283 -2.900 -3.588 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.379 -3.571 -4.967 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.418 -2.632 -7.092 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.703 -4.262 -7.075 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.472 -4.066 -7.063 1.00 0.34 H new ATOM 718 N GLY A 46 -11.977 -5.634 -5.065 1.00 0.64 N ATOM 719 CA GLY A 46 -13.081 -6.326 -5.728 1.00 0.75 C ATOM 720 C GLY A 46 -12.743 -6.860 -7.111 1.00 0.74 C ATOM 721 O GLY A 46 -12.734 -8.073 -7.322 1.00 0.92 O ATOM 0 H GLY A 46 -12.271 -4.989 -4.332 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.404 -7.156 -5.100 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.926 -5.642 -5.812 1.00 0.75 H new ATOM 725 N ARG A 47 -12.468 -5.962 -8.053 1.00 0.63 N ATOM 726 CA ARG A 47 -12.137 -6.366 -9.416 1.00 0.64 C ATOM 727 C ARG A 47 -10.755 -7.018 -9.479 1.00 0.67 C ATOM 728 O ARG A 47 -10.498 -8.001 -8.786 1.00 1.20 O ATOM 729 CB ARG A 47 -12.215 -5.165 -10.362 1.00 0.63 C ATOM 730 CG ARG A 47 -13.614 -4.900 -10.882 1.00 0.39 C ATOM 731 CD ARG A 47 -14.456 -4.197 -9.839 1.00 1.19 C ATOM 732 NE ARG A 47 -15.853 -4.077 -10.249 1.00 1.66 N ATOM 733 CZ ARG A 47 -16.878 -4.124 -9.402 1.00 2.40 C ATOM 734 NH1 ARG A 47 -16.664 -4.293 -8.105 1.00 3.06 N ATOM 735 NH2 ARG A 47 -18.119 -4.001 -9.854 1.00 2.81 N ATOM 0 H ARG A 47 -12.468 -4.954 -7.899 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.868 -7.108 -9.737 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -11.854 -4.278 -9.842 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.547 -5.333 -11.207 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -13.561 -4.290 -11.784 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.086 -5.842 -11.162 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -14.401 -4.746 -8.899 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -14.047 -3.204 -9.653 1.00 1.19 H new ATOM 0 HE ARG A 47 -16.054 -3.950 -11.241 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -15.711 -4.387 -7.753 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -17.452 -4.329 -7.458 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -18.288 -3.870 -10.851 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -18.904 -4.037 -9.204 1.00 2.81 H new ATOM 749 N LYS A 48 -9.870 -6.473 -10.315 1.00 0.69 N ATOM 750 CA LYS A 48 -8.522 -7.013 -10.458 1.00 0.62 C ATOM 751 C LYS A 48 -7.839 -7.134 -9.096 1.00 0.51 C ATOM 752 O LYS A 48 -8.226 -6.458 -8.144 1.00 0.48 O ATOM 753 CB LYS A 48 -7.693 -6.122 -11.389 1.00 0.67 C ATOM 754 CG LYS A 48 -8.263 -6.006 -12.795 1.00 0.84 C ATOM 755 CD LYS A 48 -8.260 -7.345 -13.515 1.00 1.04 C ATOM 756 CE LYS A 48 -8.813 -7.222 -14.926 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.806 -8.529 -15.640 1.00 1.56 N ATOM 0 H LYS A 48 -10.064 -5.661 -10.901 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.595 -8.009 -10.894 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -7.620 -5.126 -10.953 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.680 -6.519 -11.449 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -9.282 -5.622 -12.744 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.679 -5.284 -13.366 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -7.243 -7.735 -13.555 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -8.855 -8.063 -12.951 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -9.832 -6.836 -14.885 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -8.221 -6.499 -15.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.190 -8.403 -16.598 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -7.831 -8.885 -15.702 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -9.392 -9.212 -15.119 1.00 1.56 H new ATOM 771 N PRO A 49 -6.817 -8.006 -8.985 1.00 0.49 N ATOM 772 CA PRO A 49 -6.084 -8.216 -7.729 1.00 0.44 C ATOM 773 C PRO A 49 -5.535 -6.916 -7.145 1.00 0.43 C ATOM 774 O PRO A 49 -6.273 -6.142 -6.537 1.00 0.63 O ATOM 775 CB PRO A 49 -4.950 -9.161 -8.137 1.00 0.52 C ATOM 776 CG PRO A 49 -5.481 -9.874 -9.325 1.00 0.59 C ATOM 777 CD PRO A 49 -6.292 -8.856 -10.069 1.00 0.58 C ATOM 0 HA PRO A 49 -6.724 -8.617 -6.943 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -4.040 -8.611 -8.376 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.701 -9.855 -7.334 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.672 -10.262 -9.945 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -6.094 -10.726 -9.031 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.682 -8.287 -10.771 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -7.093 -9.319 -10.645 1.00 0.58 H new ATOM 785 N LEU A 50 -4.241 -6.676 -7.330 1.00 0.51 N ATOM 786 CA LEU A 50 -3.616 -5.467 -6.824 1.00 0.55 C ATOM 787 C LEU A 50 -3.296 -4.530 -7.980 1.00 0.67 C ATOM 788 O LEU A 50 -2.234 -4.639 -8.594 1.00 1.57 O ATOM 789 CB LEU A 50 -2.311 -5.768 -6.065 1.00 0.64 C ATOM 790 CG LEU A 50 -2.330 -6.916 -5.047 1.00 0.45 C ATOM 791 CD1 LEU A 50 -2.691 -8.242 -5.697 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.968 -7.016 -4.382 1.00 0.81 C ATOM 0 H LEU A 50 -3.609 -7.304 -7.826 1.00 0.51 H new ATOM 0 HA LEU A 50 -4.321 -5.004 -6.133 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.537 -5.984 -6.801 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -2.009 -4.860 -5.542 1.00 0.64 H new ATOM 0 HG LEU A 50 -3.096 -6.699 -4.302 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -2.693 -9.028 -4.942 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -3.681 -8.169 -6.148 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.958 -8.481 -6.468 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.976 -7.830 -3.657 1.00 0.81 H new ATOM 0 HD22 LEU A 50 -0.207 -7.210 -5.138 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.742 -6.079 -3.873 1.00 0.81 H new ATOM 804 N ASP A 51 -4.216 -3.624 -8.292 1.00 0.50 N ATOM 805 CA ASP A 51 -4.000 -2.667 -9.370 1.00 0.46 C ATOM 806 C ASP A 51 -3.053 -1.570 -8.895 1.00 0.42 C ATOM 807 O ASP A 51 -3.299 -0.386 -9.113 1.00 0.41 O ATOM 808 CB ASP A 51 -5.329 -2.056 -9.819 1.00 0.45 C ATOM 809 CG ASP A 51 -6.304 -3.101 -10.322 1.00 0.49 C ATOM 810 OD1 ASP A 51 -7.067 -3.646 -9.497 1.00 0.63 O ATOM 811 OD2 ASP A 51 -6.305 -3.374 -11.541 1.00 0.53 O ATOM 0 H ASP A 51 -5.114 -3.532 -7.817 1.00 0.50 H new ATOM 0 HA ASP A 51 -3.556 -3.185 -10.220 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -5.778 -1.516 -8.985 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -5.143 -1.327 -10.608 1.00 0.45 H new ATOM 816 N LEU A 52 -1.961 -1.987 -8.261 1.00 0.40 N ATOM 817 CA LEU A 52 -0.972 -1.070 -7.707 1.00 0.37 C ATOM 818 C LEU A 52 -0.331 -0.178 -8.755 1.00 0.36 C ATOM 819 O LEU A 52 -0.213 1.027 -8.549 1.00 0.43 O ATOM 820 CB LEU A 52 0.123 -1.871 -6.990 1.00 0.39 C ATOM 821 CG LEU A 52 1.367 -1.090 -6.594 1.00 0.45 C ATOM 822 CD1 LEU A 52 2.095 -1.826 -5.494 1.00 1.06 C ATOM 823 CD2 LEU A 52 2.291 -0.879 -7.782 1.00 1.29 C ATOM 0 H LEU A 52 -1.737 -2.972 -8.117 1.00 0.40 H new ATOM 0 HA LEU A 52 -1.501 -0.419 -7.010 1.00 0.37 H new ATOM 0 HB2 LEU A 52 -0.307 -2.312 -6.091 1.00 0.39 H new ATOM 0 HB3 LEU A 52 0.425 -2.695 -7.636 1.00 0.39 H new ATOM 0 HG LEU A 52 1.057 -0.108 -6.236 1.00 0.45 H new ATOM 0 HD11 LEU A 52 2.986 -1.267 -5.210 1.00 1.06 H new ATOM 0 HD12 LEU A 52 1.440 -1.928 -4.629 1.00 1.06 H new ATOM 0 HD13 LEU A 52 2.385 -2.815 -5.848 1.00 1.06 H new ATOM 0 HD21 LEU A 52 3.170 -0.318 -7.464 1.00 1.29 H new ATOM 0 HD22 LEU A 52 2.601 -1.846 -8.178 1.00 1.29 H new ATOM 0 HD23 LEU A 52 1.765 -0.322 -8.557 1.00 1.29 H new ATOM 835 N TYR A 53 0.110 -0.757 -9.863 1.00 0.32 N ATOM 836 CA TYR A 53 0.779 0.036 -10.880 1.00 0.33 C ATOM 837 C TYR A 53 -0.154 1.104 -11.441 1.00 0.32 C ATOM 838 O TYR A 53 0.228 2.272 -11.578 1.00 0.32 O ATOM 839 CB TYR A 53 1.316 -0.857 -12.001 1.00 0.38 C ATOM 840 CG TYR A 53 1.848 -0.084 -13.188 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.059 0.593 -13.113 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.138 -0.027 -14.381 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.549 1.301 -14.194 1.00 0.51 C ATOM 844 CE2 TYR A 53 1.621 0.679 -15.466 1.00 0.36 C ATOM 845 CZ TYR A 53 2.825 1.343 -15.367 1.00 0.43 C ATOM 846 OH TYR A 53 3.309 2.048 -16.445 1.00 0.54 O ATOM 0 H TYR A 53 0.019 -1.750 -10.077 1.00 0.32 H new ATOM 0 HA TYR A 53 1.625 0.539 -10.411 1.00 0.33 H new ATOM 0 HB2 TYR A 53 2.111 -1.488 -11.603 1.00 0.38 H new ATOM 0 HB3 TYR A 53 0.520 -1.522 -12.338 1.00 0.38 H new ATOM 0 HD1 TYR A 53 3.627 0.565 -12.195 1.00 0.45 H new ATOM 0 HD2 TYR A 53 0.193 -0.543 -14.462 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.494 1.819 -14.121 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.058 0.710 -16.387 1.00 0.36 H new ATOM 0 HH TYR A 53 2.679 1.976 -17.192 1.00 0.54 H new ATOM 856 N ARG A 54 -1.383 0.706 -11.750 1.00 0.33 N ATOM 857 CA ARG A 54 -2.370 1.646 -12.259 1.00 0.34 C ATOM 858 C ARG A 54 -2.701 2.619 -11.146 1.00 0.32 C ATOM 859 O ARG A 54 -3.038 3.780 -11.377 1.00 0.32 O ATOM 860 CB ARG A 54 -3.639 0.919 -12.714 1.00 0.38 C ATOM 861 CG ARG A 54 -3.421 -0.546 -13.044 1.00 0.40 C ATOM 862 CD ARG A 54 -4.708 -1.217 -13.497 1.00 0.45 C ATOM 863 NE ARG A 54 -5.279 -0.565 -14.673 1.00 0.98 N ATOM 864 CZ ARG A 54 -5.832 -1.225 -15.687 1.00 1.19 C ATOM 865 NH1 ARG A 54 -5.879 -2.551 -15.672 1.00 1.28 N ATOM 866 NH2 ARG A 54 -6.338 -0.560 -16.716 1.00 1.85 N ATOM 0 H ARG A 54 -1.716 -0.254 -11.657 1.00 0.33 H new ATOM 0 HA ARG A 54 -1.965 2.172 -13.124 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -4.392 0.997 -11.930 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -4.040 1.424 -13.593 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -2.669 -0.635 -13.828 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -3.030 -1.062 -12.167 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -4.511 -2.265 -13.723 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -5.433 -1.198 -12.683 1.00 0.45 H new ATOM 0 HE ARG A 54 -5.252 0.454 -14.719 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -5.491 -3.066 -14.882 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -6.303 -3.055 -16.451 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -6.304 0.459 -16.731 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -6.762 -1.068 -17.493 1.00 1.85 H new ATOM 880 N LEU A 55 -2.582 2.111 -9.927 1.00 0.30 N ATOM 881 CA LEU A 55 -2.844 2.886 -8.732 1.00 0.28 C ATOM 882 C LEU A 55 -1.757 3.932 -8.528 1.00 0.26 C ATOM 883 O LEU A 55 -2.020 5.027 -8.034 1.00 0.25 O ATOM 884 CB LEU A 55 -2.905 1.954 -7.517 1.00 0.32 C ATOM 885 CG LEU A 55 -3.125 2.636 -6.165 1.00 0.31 C ATOM 886 CD1 LEU A 55 -4.290 3.614 -6.233 1.00 0.88 C ATOM 887 CD2 LEU A 55 -3.370 1.595 -5.084 1.00 0.79 C ATOM 0 H LEU A 55 -2.300 1.148 -9.743 1.00 0.30 H new ATOM 0 HA LEU A 55 -3.800 3.396 -8.846 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -3.708 1.234 -7.675 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -1.975 1.388 -7.470 1.00 0.32 H new ATOM 0 HG LEU A 55 -2.225 3.197 -5.915 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -4.426 4.086 -5.260 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -4.080 4.379 -6.981 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -5.199 3.079 -6.507 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -3.525 2.094 -4.127 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -4.255 1.010 -5.336 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.506 0.934 -5.013 1.00 0.79 H new ATOM 899 N TYR A 56 -0.535 3.578 -8.913 1.00 0.30 N ATOM 900 CA TYR A 56 0.602 4.475 -8.775 1.00 0.30 C ATOM 901 C TYR A 56 0.500 5.611 -9.779 1.00 0.30 C ATOM 902 O TYR A 56 0.644 6.781 -9.426 1.00 0.29 O ATOM 903 CB TYR A 56 1.916 3.711 -8.976 1.00 0.35 C ATOM 904 CG TYR A 56 3.052 4.208 -8.106 1.00 0.36 C ATOM 905 CD1 TYR A 56 3.229 5.566 -7.871 1.00 0.95 C ATOM 906 CD2 TYR A 56 3.940 3.318 -7.513 1.00 0.68 C ATOM 907 CE1 TYR A 56 4.257 6.023 -7.073 1.00 1.03 C ATOM 908 CE2 TYR A 56 4.969 3.769 -6.710 1.00 0.85 C ATOM 909 CZ TYR A 56 5.123 5.123 -6.494 1.00 0.74 C ATOM 910 OH TYR A 56 6.140 5.579 -5.694 1.00 0.97 O ATOM 0 H TYR A 56 -0.309 2.672 -9.324 1.00 0.30 H new ATOM 0 HA TYR A 56 0.593 4.892 -7.768 1.00 0.30 H new ATOM 0 HB2 TYR A 56 1.747 2.655 -8.768 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.213 3.786 -10.022 1.00 0.35 H new ATOM 0 HD1 TYR A 56 2.550 6.276 -8.321 1.00 0.95 H new ATOM 0 HD2 TYR A 56 3.823 2.258 -7.683 1.00 0.68 H new ATOM 0 HE1 TYR A 56 4.382 7.082 -6.903 1.00 1.03 H new ATOM 0 HE2 TYR A 56 5.650 3.066 -6.253 1.00 0.85 H new ATOM 0 HH TYR A 56 6.081 6.554 -5.614 1.00 0.97 H new ATOM 920 N VAL A 57 0.255 5.264 -11.036 1.00 0.33 N ATOM 921 CA VAL A 57 0.121 6.276 -12.072 1.00 0.35 C ATOM 922 C VAL A 57 -1.098 7.146 -11.807 1.00 0.31 C ATOM 923 O VAL A 57 -1.073 8.357 -12.049 1.00 0.32 O ATOM 924 CB VAL A 57 0.001 5.654 -13.474 1.00 0.40 C ATOM 925 CG1 VAL A 57 1.311 5.004 -13.875 1.00 0.44 C ATOM 926 CG2 VAL A 57 -1.135 4.646 -13.520 1.00 0.38 C ATOM 0 H VAL A 57 0.146 4.302 -11.359 1.00 0.33 H new ATOM 0 HA VAL A 57 1.026 6.883 -12.044 1.00 0.35 H new ATOM 0 HB VAL A 57 -0.223 6.448 -14.186 1.00 0.40 H new ATOM 0 HG11 VAL A 57 1.212 4.568 -14.869 1.00 0.44 H new ATOM 0 HG12 VAL A 57 2.101 5.755 -13.885 1.00 0.44 H new ATOM 0 HG13 VAL A 57 1.563 4.222 -13.159 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -1.202 4.219 -14.520 1.00 0.38 H new ATOM 0 HG22 VAL A 57 -0.946 3.852 -12.798 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -2.073 5.144 -13.275 1.00 0.38 H new ATOM 936 N SER A 58 -2.162 6.533 -11.293 1.00 0.29 N ATOM 937 CA SER A 58 -3.377 7.273 -11.009 1.00 0.27 C ATOM 938 C SER A 58 -3.173 8.223 -9.840 1.00 0.24 C ATOM 939 O SER A 58 -3.591 9.376 -9.900 1.00 0.25 O ATOM 940 CB SER A 58 -4.545 6.330 -10.721 1.00 0.27 C ATOM 941 OG SER A 58 -4.903 5.590 -11.874 1.00 1.13 O ATOM 0 H SER A 58 -2.203 5.539 -11.069 1.00 0.29 H new ATOM 0 HA SER A 58 -3.619 7.858 -11.896 1.00 0.27 H new ATOM 0 HB2 SER A 58 -4.274 5.646 -9.917 1.00 0.27 H new ATOM 0 HB3 SER A 58 -5.403 6.905 -10.374 1.00 0.27 H new ATOM 0 HG SER A 58 -4.208 4.926 -12.065 1.00 1.13 H new ATOM 947 N VAL A 59 -2.529 7.744 -8.776 1.00 0.24 N ATOM 948 CA VAL A 59 -2.285 8.587 -7.614 1.00 0.23 C ATOM 949 C VAL A 59 -1.312 9.699 -7.973 1.00 0.23 C ATOM 950 O VAL A 59 -1.376 10.798 -7.422 1.00 0.22 O ATOM 951 CB VAL A 59 -1.743 7.790 -6.410 1.00 0.25 C ATOM 952 CG1 VAL A 59 -0.360 7.228 -6.700 1.00 0.27 C ATOM 953 CG2 VAL A 59 -1.720 8.666 -5.168 1.00 0.26 C ATOM 0 H VAL A 59 -2.173 6.791 -8.697 1.00 0.24 H new ATOM 0 HA VAL A 59 -3.245 9.011 -7.319 1.00 0.23 H new ATOM 0 HB VAL A 59 -2.411 6.947 -6.230 1.00 0.25 H new ATOM 0 HG11 VAL A 59 -0.004 6.671 -5.833 1.00 0.27 H new ATOM 0 HG12 VAL A 59 -0.411 6.563 -7.562 1.00 0.27 H new ATOM 0 HG13 VAL A 59 0.328 8.046 -6.913 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -1.335 8.092 -4.325 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -1.077 9.529 -5.343 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -2.731 9.006 -4.944 1.00 0.26 H new ATOM 963 N LYS A 60 -0.408 9.403 -8.903 1.00 0.26 N ATOM 964 CA LYS A 60 0.564 10.384 -9.358 1.00 0.27 C ATOM 965 C LYS A 60 -0.150 11.539 -10.050 1.00 0.26 C ATOM 966 O LYS A 60 0.045 12.702 -9.699 1.00 0.26 O ATOM 967 CB LYS A 60 1.576 9.741 -10.311 1.00 0.31 C ATOM 968 CG LYS A 60 2.785 9.151 -9.603 1.00 0.99 C ATOM 969 CD LYS A 60 3.940 8.913 -10.566 1.00 0.98 C ATOM 970 CE LYS A 60 3.625 7.809 -11.563 1.00 1.26 C ATOM 971 NZ LYS A 60 3.396 6.502 -10.887 1.00 1.78 N ATOM 0 H LYS A 60 -0.331 8.491 -9.354 1.00 0.26 H new ATOM 0 HA LYS A 60 1.104 10.766 -8.492 1.00 0.27 H new ATOM 0 HB2 LYS A 60 1.079 8.955 -10.880 1.00 0.31 H new ATOM 0 HB3 LYS A 60 1.914 10.489 -11.028 1.00 0.31 H new ATOM 0 HG2 LYS A 60 3.106 9.825 -8.809 1.00 0.99 H new ATOM 0 HG3 LYS A 60 2.506 8.210 -9.129 1.00 0.99 H new ATOM 0 HD2 LYS A 60 4.162 9.835 -11.103 1.00 0.98 H new ATOM 0 HD3 LYS A 60 4.835 8.649 -10.002 1.00 0.98 H new ATOM 0 HE2 LYS A 60 2.740 8.081 -12.138 1.00 1.26 H new ATOM 0 HE3 LYS A 60 4.448 7.713 -12.271 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 2.585 6.021 -11.327 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 4.244 5.908 -10.983 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 3.198 6.663 -9.879 1.00 1.78 H new ATOM 985 N GLU A 61 -0.978 11.206 -11.037 1.00 0.26 N ATOM 986 CA GLU A 61 -1.737 12.216 -11.766 1.00 0.26 C ATOM 987 C GLU A 61 -2.779 12.858 -10.852 1.00 0.24 C ATOM 988 O GLU A 61 -3.123 14.030 -11.003 1.00 0.24 O ATOM 989 CB GLU A 61 -2.417 11.593 -12.987 1.00 0.27 C ATOM 990 CG GLU A 61 -1.437 11.026 -14.001 1.00 1.22 C ATOM 991 CD GLU A 61 -2.127 10.450 -15.222 1.00 1.54 C ATOM 992 OE1 GLU A 61 -2.501 11.236 -16.118 1.00 1.78 O ATOM 993 OE2 GLU A 61 -2.294 9.214 -15.282 1.00 1.88 O ATOM 0 H GLU A 61 -1.139 10.248 -11.349 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.048 12.988 -12.107 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -3.085 10.798 -12.655 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -3.036 12.347 -13.473 1.00 0.27 H new ATOM 0 HG2 GLU A 61 -0.749 11.811 -14.314 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -0.838 10.249 -13.526 1.00 1.22 H new ATOM 1000 N ILE A 62 -3.271 12.067 -9.902 1.00 0.24 N ATOM 1001 CA ILE A 62 -4.282 12.516 -8.952 1.00 0.23 C ATOM 1002 C ILE A 62 -3.844 13.765 -8.187 1.00 0.25 C ATOM 1003 O ILE A 62 -4.647 14.673 -7.966 1.00 0.27 O ATOM 1004 CB ILE A 62 -4.629 11.384 -7.958 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -5.872 10.631 -8.451 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -4.826 11.922 -6.541 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -6.340 9.543 -7.513 1.00 0.33 C ATOM 0 H ILE A 62 -2.980 11.098 -9.770 1.00 0.24 H new ATOM 0 HA ILE A 62 -5.169 12.778 -9.529 1.00 0.23 H new ATOM 0 HB ILE A 62 -3.791 10.688 -7.914 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -6.683 11.345 -8.597 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -5.656 10.190 -9.424 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -5.069 11.098 -5.870 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -3.909 12.406 -6.205 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -5.641 12.646 -6.537 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -7.222 9.057 -7.930 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -5.547 8.807 -7.385 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -6.590 9.979 -6.546 1.00 0.33 H new ATOM 1019 N GLY A 63 -2.577 13.814 -7.788 1.00 0.30 N ATOM 1020 CA GLY A 63 -2.087 14.963 -7.048 1.00 0.37 C ATOM 1021 C GLY A 63 -1.080 14.591 -5.976 1.00 0.46 C ATOM 1022 O GLY A 63 -0.305 15.435 -5.525 1.00 0.74 O ATOM 0 H GLY A 63 -1.885 13.085 -7.962 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -1.627 15.666 -7.742 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -2.930 15.477 -6.585 1.00 0.37 H new ATOM 1026 N GLY A 64 -1.094 13.328 -5.571 1.00 0.29 N ATOM 1027 CA GLY A 64 -0.182 12.860 -4.544 1.00 0.35 C ATOM 1028 C GLY A 64 -0.889 12.015 -3.505 1.00 0.38 C ATOM 1029 O GLY A 64 -2.091 11.787 -3.609 1.00 0.50 O ATOM 0 H GLY A 64 -1.724 12.615 -5.938 1.00 0.29 H new ATOM 0 HA2 GLY A 64 0.616 12.277 -5.005 1.00 0.35 H new ATOM 0 HA3 GLY A 64 0.288 13.715 -4.058 1.00 0.35 H new ATOM 1033 N LEU A 65 -0.150 11.552 -2.502 1.00 0.32 N ATOM 1034 CA LEU A 65 -0.732 10.719 -1.450 1.00 0.35 C ATOM 1035 C LEU A 65 -1.597 11.553 -0.521 1.00 0.32 C ATOM 1036 O LEU A 65 -2.758 11.226 -0.275 1.00 0.35 O ATOM 1037 CB LEU A 65 0.350 10.006 -0.623 1.00 0.43 C ATOM 1038 CG LEU A 65 1.676 9.706 -1.331 1.00 0.94 C ATOM 1039 CD1 LEU A 65 1.440 9.112 -2.715 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.531 10.964 -1.409 1.00 0.86 C ATOM 0 H LEU A 65 0.847 11.737 -2.393 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.344 9.966 -1.945 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.564 10.616 0.254 1.00 0.43 H new ATOM 0 HB3 LEU A 65 -0.063 9.064 -0.263 1.00 0.43 H new ATOM 0 HG LEU A 65 2.216 8.962 -0.746 1.00 0.94 H new ATOM 0 HD11 LEU A 65 2.399 8.910 -3.193 1.00 1.62 H new ATOM 0 HD12 LEU A 65 0.878 8.183 -2.621 1.00 1.62 H new ATOM 0 HD13 LEU A 65 0.874 9.818 -3.322 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.469 10.735 -1.914 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.997 11.733 -1.967 1.00 0.86 H new ATOM 0 HD23 LEU A 65 2.740 11.325 -0.402 1.00 0.86 H new ATOM 1052 N THR A 66 -1.022 12.634 -0.003 1.00 0.35 N ATOM 1053 CA THR A 66 -1.746 13.517 0.897 1.00 0.36 C ATOM 1054 C THR A 66 -2.950 14.113 0.186 1.00 0.30 C ATOM 1055 O THR A 66 -3.965 14.432 0.807 1.00 0.28 O ATOM 1056 CB THR A 66 -0.855 14.661 1.415 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.522 14.268 1.376 1.00 0.76 O ATOM 1058 CG2 THR A 66 -1.233 15.040 2.839 1.00 0.65 C ATOM 0 H THR A 66 -0.060 12.917 -0.192 1.00 0.35 H new ATOM 0 HA THR A 66 -2.069 12.918 1.749 1.00 0.36 H new ATOM 0 HB THR A 66 -1.006 15.527 0.770 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.081 15.002 1.706 1.00 0.76 H new ATOM 0 HG21 THR A 66 -0.590 15.850 3.183 1.00 0.65 H new ATOM 0 HG22 THR A 66 -2.273 15.366 2.865 1.00 0.65 H new ATOM 0 HG23 THR A 66 -1.108 14.176 3.491 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.818 14.258 -1.129 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.879 14.811 -1.957 1.00 0.29 C ATOM 1068 C GLN A 67 -5.113 13.911 -1.920 1.00 0.23 C ATOM 1069 O GLN A 67 -6.238 14.396 -1.891 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.371 14.991 -3.394 1.00 0.35 C ATOM 1071 CG GLN A 67 -4.209 15.933 -4.248 1.00 0.93 C ATOM 1072 CD GLN A 67 -4.594 17.211 -3.525 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -3.858 17.702 -2.669 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -5.751 17.762 -3.872 1.00 1.77 N ATOM 0 H GLN A 67 -1.978 13.997 -1.646 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.168 15.786 -1.564 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -2.348 15.366 -3.360 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -3.337 14.015 -3.879 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -3.653 16.187 -5.150 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -5.114 15.416 -4.566 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -6.331 17.322 -4.586 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -6.060 18.625 -3.424 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.893 12.598 -1.910 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.995 11.638 -1.862 1.00 0.26 C ATOM 1085 C VAL A 68 -6.778 11.772 -0.565 1.00 0.28 C ATOM 1086 O VAL A 68 -7.997 11.604 -0.534 1.00 0.39 O ATOM 1087 CB VAL A 68 -5.490 10.185 -1.933 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -6.650 9.228 -2.158 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -4.434 10.016 -3.014 1.00 0.52 C ATOM 0 H VAL A 68 -3.965 12.175 -1.934 1.00 0.22 H new ATOM 0 HA VAL A 68 -6.626 11.859 -2.723 1.00 0.26 H new ATOM 0 HB VAL A 68 -5.024 9.946 -0.977 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -6.274 8.206 -2.206 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -7.359 9.316 -1.335 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -7.149 9.475 -3.095 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -4.099 8.979 -3.037 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -4.859 10.282 -3.982 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -3.586 10.666 -2.799 1.00 0.52 H new ATOM 1099 N ASN A 69 -6.055 12.076 0.502 1.00 0.24 N ATOM 1100 CA ASN A 69 -6.637 12.189 1.829 1.00 0.29 C ATOM 1101 C ASN A 69 -7.563 13.399 1.990 1.00 0.31 C ATOM 1102 O ASN A 69 -8.464 13.377 2.829 1.00 0.40 O ATOM 1103 CB ASN A 69 -5.523 12.264 2.874 1.00 0.30 C ATOM 1104 CG ASN A 69 -6.054 12.233 4.293 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -6.213 11.165 4.886 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -6.333 13.407 4.847 1.00 1.17 N ATOM 0 H ASN A 69 -5.051 12.251 0.472 1.00 0.24 H new ATOM 0 HA ASN A 69 -7.250 11.300 1.975 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -4.836 11.430 2.728 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.950 13.179 2.724 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -6.694 13.448 5.800 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -6.186 14.268 4.320 1.00 1.17 H new ATOM 1113 N LYS A 70 -7.354 14.449 1.199 1.00 0.28 N ATOM 1114 CA LYS A 70 -8.170 15.657 1.336 1.00 0.38 C ATOM 1115 C LYS A 70 -8.905 16.052 0.052 1.00 0.33 C ATOM 1116 O LYS A 70 -9.753 16.945 0.077 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.282 16.818 1.792 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.340 17.323 0.715 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.454 18.440 1.237 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.168 18.544 0.439 1.00 1.09 C ATOM 1121 NZ LYS A 70 -3.295 19.646 0.930 1.00 1.81 N ATOM 0 H LYS A 70 -6.642 14.491 0.470 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.938 15.434 2.077 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -7.916 17.641 2.123 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.697 16.499 2.655 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.720 16.501 0.357 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.917 17.682 -0.137 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -5.992 19.387 1.188 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -5.220 18.261 2.286 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -3.627 17.599 0.498 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -4.406 18.710 -0.612 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -2.427 19.683 0.358 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -3.801 20.551 0.850 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -3.046 19.475 1.925 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.592 15.402 -1.061 1.00 0.28 N ATOM 1136 CA ASN A 71 -9.229 15.744 -2.333 1.00 0.27 C ATOM 1137 C ASN A 71 -10.338 14.764 -2.723 1.00 0.28 C ATOM 1138 O ASN A 71 -10.835 14.811 -3.850 1.00 0.29 O ATOM 1139 CB ASN A 71 -8.176 15.812 -3.442 1.00 0.24 C ATOM 1140 CG ASN A 71 -8.705 16.445 -4.716 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -8.286 16.091 -5.817 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -9.624 17.393 -4.570 1.00 1.26 N ATOM 0 H ASN A 71 -7.911 14.645 -1.113 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.698 16.720 -2.204 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -7.318 16.382 -3.087 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.821 14.805 -3.662 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -10.011 17.859 -5.391 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -9.943 17.655 -3.637 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.736 13.884 -1.804 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.788 12.908 -2.100 1.00 0.33 C ATOM 1151 C LYS A 72 -11.437 12.123 -3.346 1.00 0.30 C ATOM 1152 O LYS A 72 -12.316 11.660 -4.076 1.00 0.33 O ATOM 1153 CB LYS A 72 -13.137 13.609 -2.278 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.533 14.467 -1.088 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.893 15.112 -1.297 1.00 0.88 C ATOM 1156 CE LYS A 72 -15.254 16.031 -0.145 1.00 1.61 C ATOM 1157 NZ LYS A 72 -16.496 16.806 -0.421 1.00 2.04 N ATOM 0 H LYS A 72 -10.353 13.825 -0.861 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.866 12.218 -1.260 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -13.098 14.234 -3.170 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.909 12.858 -2.448 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.554 13.854 -0.187 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.782 15.241 -0.930 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -14.889 15.678 -2.228 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.653 14.337 -1.398 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -15.388 15.441 0.762 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -14.430 16.720 0.042 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -16.708 17.422 0.390 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.360 17.389 -1.272 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -17.288 16.150 -0.574 1.00 2.04 H new ATOM 1171 N LYS A 73 -10.144 11.967 -3.578 1.00 0.25 N ATOM 1172 CA LYS A 73 -9.675 11.217 -4.719 1.00 0.24 C ATOM 1173 C LYS A 73 -9.942 9.740 -4.508 1.00 0.23 C ATOM 1174 O LYS A 73 -10.091 9.002 -5.470 1.00 0.25 O ATOM 1175 CB LYS A 73 -8.186 11.451 -4.953 1.00 0.31 C ATOM 1176 CG LYS A 73 -7.849 12.875 -5.358 1.00 0.35 C ATOM 1177 CD LYS A 73 -8.041 13.098 -6.848 1.00 0.36 C ATOM 1178 CE LYS A 73 -9.444 13.583 -7.164 1.00 0.79 C ATOM 1179 NZ LYS A 73 -9.632 13.833 -8.619 1.00 0.77 N ATOM 0 H LYS A 73 -9.405 12.351 -2.989 1.00 0.25 H new ATOM 0 HA LYS A 73 -10.215 11.560 -5.601 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.641 11.203 -4.043 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -7.838 10.770 -5.729 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -8.479 13.570 -4.802 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -6.816 13.095 -5.088 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -7.314 13.828 -7.204 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -7.847 12.169 -7.384 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -10.169 12.842 -6.827 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -9.644 14.500 -6.610 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -10.522 14.350 -8.770 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -8.837 14.399 -8.980 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -9.668 12.925 -9.125 1.00 0.77 H new ATOM 1193 N TRP A 74 -10.004 9.309 -3.244 1.00 0.22 N ATOM 1194 CA TRP A 74 -10.266 7.904 -2.945 1.00 0.24 C ATOM 1195 C TRP A 74 -11.421 7.401 -3.790 1.00 0.23 C ATOM 1196 O TRP A 74 -11.376 6.291 -4.328 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.548 7.667 -1.448 1.00 0.26 C ATOM 1198 CG TRP A 74 -11.619 8.535 -0.838 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -12.175 9.665 -1.361 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -12.255 8.335 0.432 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -13.116 10.176 -0.503 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -13.184 9.379 0.606 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -12.130 7.373 1.439 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -13.981 9.486 1.743 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -12.921 7.482 2.567 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.837 8.530 2.711 1.00 2.12 C ATOM 0 H TRP A 74 -9.878 9.905 -2.426 1.00 0.22 H new ATOM 0 HA TRP A 74 -9.365 7.342 -3.191 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -10.831 6.623 -1.311 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.622 7.821 -0.894 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -11.912 10.097 -2.315 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -13.674 11.014 -0.666 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -11.428 6.559 1.337 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -14.688 10.295 1.857 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -12.831 6.745 3.351 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.442 8.585 3.604 1.00 2.12 H new ATOM 1217 N ARG A 75 -12.448 8.231 -3.929 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.596 7.853 -4.736 1.00 0.26 C ATOM 1219 C ARG A 75 -13.211 7.836 -6.212 1.00 0.23 C ATOM 1220 O ARG A 75 -13.715 7.026 -6.991 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.766 8.805 -4.494 1.00 0.30 C ATOM 1222 CG ARG A 75 -16.071 8.323 -5.104 1.00 0.43 C ATOM 1223 CD ARG A 75 -17.269 8.801 -4.302 1.00 0.48 C ATOM 1224 NE ARG A 75 -17.392 10.255 -4.314 1.00 1.25 N ATOM 1225 CZ ARG A 75 -18.339 10.921 -3.660 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -19.243 10.264 -2.945 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -18.382 12.244 -3.721 1.00 2.57 N ATOM 0 H ARG A 75 -12.508 9.155 -3.500 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.913 6.852 -4.445 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.902 8.937 -3.421 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -14.520 9.784 -4.906 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -16.150 8.684 -6.129 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -16.073 7.234 -5.149 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -18.178 8.357 -4.709 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -17.178 8.454 -3.273 1.00 0.48 H new ATOM 0 HE ARG A 75 -16.713 10.791 -4.855 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -19.213 9.246 -2.896 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -19.968 10.777 -2.444 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -17.688 12.752 -4.270 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -19.109 12.754 -3.219 1.00 2.57 H new ATOM 1241 N GLU A 76 -12.301 8.734 -6.585 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.834 8.827 -7.962 1.00 0.22 C ATOM 1243 C GLU A 76 -10.983 7.619 -8.348 1.00 0.20 C ATOM 1244 O GLU A 76 -11.191 7.042 -9.409 1.00 0.20 O ATOM 1245 CB GLU A 76 -11.050 10.122 -8.179 1.00 0.25 C ATOM 1246 CG GLU A 76 -11.898 11.372 -8.014 1.00 1.27 C ATOM 1247 CD GLU A 76 -13.109 11.382 -8.928 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -12.972 11.822 -10.088 1.00 2.09 O ATOM 1249 OE2 GLU A 76 -14.192 10.948 -8.484 1.00 2.05 O ATOM 0 H GLU A 76 -11.873 9.408 -5.950 1.00 0.23 H new ATOM 0 HA GLU A 76 -12.712 8.836 -8.607 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -10.220 10.159 -7.474 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -10.618 10.114 -9.180 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -12.229 11.448 -6.978 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -11.286 12.251 -8.218 1.00 1.27 H new ATOM 1256 N LEU A 77 -10.022 7.233 -7.499 1.00 0.19 N ATOM 1257 CA LEU A 77 -9.192 6.074 -7.805 1.00 0.19 C ATOM 1258 C LEU A 77 -10.048 4.821 -7.777 1.00 0.19 C ATOM 1259 O LEU A 77 -9.810 3.879 -8.534 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.992 5.932 -6.852 1.00 0.20 C ATOM 1261 CG LEU A 77 -8.212 6.368 -5.400 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.614 5.356 -4.435 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -7.587 7.727 -5.152 1.00 0.24 C ATOM 0 H LEU A 77 -9.807 7.697 -6.616 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.776 6.219 -8.802 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -7.680 4.887 -6.850 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -7.163 6.511 -7.259 1.00 0.20 H new ATOM 0 HG LEU A 77 -9.287 6.429 -5.230 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.782 5.687 -3.410 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -8.088 4.386 -4.586 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.543 5.269 -4.617 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.753 8.020 -4.115 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -6.516 7.676 -5.347 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -8.042 8.463 -5.815 1.00 0.24 H new ATOM 1275 N ALA A 78 -11.048 4.811 -6.898 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.957 3.681 -6.816 1.00 0.21 C ATOM 1277 C ALA A 78 -12.710 3.547 -8.134 1.00 0.21 C ATOM 1278 O ALA A 78 -12.876 2.449 -8.663 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.924 3.862 -5.654 1.00 0.24 C ATOM 0 H ALA A 78 -11.244 5.566 -6.241 1.00 0.20 H new ATOM 0 HA ALA A 78 -11.389 2.768 -6.637 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.599 3.007 -5.606 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -12.363 3.935 -4.722 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -13.503 4.774 -5.801 1.00 0.24 H new ATOM 1285 N THR A 79 -13.151 4.686 -8.663 1.00 0.21 N ATOM 1286 CA THR A 79 -13.872 4.721 -9.931 1.00 0.23 C ATOM 1287 C THR A 79 -12.921 4.465 -11.100 1.00 0.24 C ATOM 1288 O THR A 79 -13.297 3.852 -12.099 1.00 0.28 O ATOM 1289 CB THR A 79 -14.555 6.087 -10.144 1.00 0.25 C ATOM 1290 OG1 THR A 79 -15.369 6.415 -9.012 1.00 0.25 O ATOM 1291 CG2 THR A 79 -15.409 6.078 -11.405 1.00 0.30 C ATOM 0 H THR A 79 -13.020 5.600 -8.230 1.00 0.21 H new ATOM 0 HA THR A 79 -14.630 3.939 -9.893 1.00 0.23 H new ATOM 0 HB THR A 79 -13.775 6.840 -10.258 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.801 6.518 -8.220 1.00 0.25 H new ATOM 0 HG21 THR A 79 -15.880 7.053 -11.533 1.00 0.30 H new ATOM 0 HG22 THR A 79 -14.780 5.863 -12.269 1.00 0.30 H new ATOM 0 HG23 THR A 79 -16.179 5.312 -11.317 1.00 0.30 H new ATOM 1299 N ASN A 80 -11.686 4.947 -10.961 1.00 0.22 N ATOM 1300 CA ASN A 80 -10.667 4.789 -11.997 1.00 0.25 C ATOM 1301 C ASN A 80 -10.360 3.316 -12.234 1.00 0.29 C ATOM 1302 O ASN A 80 -9.917 2.926 -13.314 1.00 0.37 O ATOM 1303 CB ASN A 80 -9.386 5.532 -11.603 1.00 0.25 C ATOM 1304 CG ASN A 80 -9.549 7.039 -11.665 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -10.330 7.559 -12.461 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -8.808 7.750 -10.822 1.00 1.75 N ATOM 0 H ASN A 80 -11.366 5.453 -10.135 1.00 0.22 H new ATOM 0 HA ASN A 80 -11.055 5.216 -12.922 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -9.097 5.242 -10.593 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -8.575 5.229 -12.266 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -8.874 8.768 -10.818 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -8.173 7.278 -10.178 1.00 1.75 H new ATOM 1313 N LEU A 81 -10.600 2.507 -11.212 1.00 0.36 N ATOM 1314 CA LEU A 81 -10.359 1.075 -11.291 1.00 0.40 C ATOM 1315 C LEU A 81 -11.681 0.321 -11.336 1.00 0.42 C ATOM 1316 O LEU A 81 -11.729 -0.888 -11.108 1.00 0.45 O ATOM 1317 CB LEU A 81 -9.496 0.635 -10.104 1.00 0.41 C ATOM 1318 CG LEU A 81 -8.167 1.388 -9.979 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -7.430 0.974 -8.719 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -7.297 1.145 -11.205 1.00 0.50 C ATOM 0 H LEU A 81 -10.964 2.822 -10.313 1.00 0.36 H new ATOM 0 HA LEU A 81 -9.819 0.843 -12.209 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -10.066 0.772 -9.185 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -9.289 -0.431 -10.195 1.00 0.41 H new ATOM 0 HG LEU A 81 -8.386 2.454 -9.914 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -6.490 1.521 -8.651 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -8.045 1.199 -7.847 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -7.226 -0.096 -8.752 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -6.358 1.688 -11.098 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -7.091 0.079 -11.300 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -7.818 1.494 -12.096 1.00 0.50 H new ATOM 1332 N ASN A 82 -12.746 1.061 -11.655 1.00 0.44 N ATOM 1333 CA ASN A 82 -14.090 0.501 -11.759 1.00 0.48 C ATOM 1334 C ASN A 82 -14.348 -0.511 -10.651 1.00 0.43 C ATOM 1335 O ASN A 82 -14.817 -1.615 -10.909 1.00 0.66 O ATOM 1336 CB ASN A 82 -14.281 -0.159 -13.129 1.00 0.57 C ATOM 1337 CG ASN A 82 -15.710 -0.603 -13.371 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -15.955 -1.598 -14.053 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -16.665 0.135 -12.815 1.00 2.01 N ATOM 0 H ASN A 82 -12.698 2.062 -11.847 1.00 0.44 H new ATOM 0 HA ASN A 82 -14.807 1.315 -11.650 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -13.986 0.542 -13.910 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -13.619 -1.021 -13.208 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -17.645 -0.116 -12.946 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -16.418 0.952 -12.257 1.00 2.01 H new ATOM 1346 N VAL A 83 -14.059 -0.116 -9.416 1.00 0.35 N ATOM 1347 CA VAL A 83 -14.244 -1.001 -8.273 1.00 0.35 C ATOM 1348 C VAL A 83 -15.662 -0.899 -7.721 1.00 0.43 C ATOM 1349 O VAL A 83 -16.137 -1.809 -7.040 1.00 0.50 O ATOM 1350 CB VAL A 83 -13.241 -0.679 -7.150 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.829 -0.580 -7.705 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -13.636 0.605 -6.437 1.00 1.39 C ATOM 0 H VAL A 83 -13.697 0.808 -9.182 1.00 0.35 H new ATOM 0 HA VAL A 83 -14.070 -2.017 -8.626 1.00 0.35 H new ATOM 0 HB VAL A 83 -13.261 -1.492 -6.424 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -11.135 -0.352 -6.896 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -11.551 -1.529 -8.164 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.787 0.212 -8.453 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -12.917 0.818 -5.646 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -13.646 1.429 -7.150 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -14.629 0.489 -6.003 1.00 1.39 H new ATOM 1362 N GLY A 84 -16.338 0.211 -8.015 1.00 0.49 N ATOM 1363 CA GLY A 84 -17.698 0.386 -7.541 1.00 0.67 C ATOM 1364 C GLY A 84 -18.095 1.834 -7.352 1.00 0.86 C ATOM 1365 O GLY A 84 -19.236 2.204 -7.624 1.00 1.76 O ATOM 0 H GLY A 84 -15.970 0.985 -8.568 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -18.383 -0.080 -8.249 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.813 -0.140 -6.593 1.00 0.67 H new ATOM 1369 N THR A 85 -17.153 2.647 -6.886 1.00 0.54 N ATOM 1370 CA THR A 85 -17.393 4.069 -6.643 1.00 0.53 C ATOM 1371 C THR A 85 -18.361 4.278 -5.475 1.00 0.75 C ATOM 1372 O THR A 85 -17.938 4.677 -4.390 1.00 1.28 O ATOM 1373 CB THR A 85 -17.914 4.804 -7.908 1.00 0.56 C ATOM 1374 OG1 THR A 85 -19.339 4.702 -8.012 1.00 0.64 O ATOM 1375 CG2 THR A 85 -17.282 4.230 -9.167 1.00 0.65 C ATOM 0 H THR A 85 -16.205 2.343 -6.666 1.00 0.54 H new ATOM 0 HA THR A 85 -16.429 4.504 -6.381 1.00 0.53 H new ATOM 0 HB THR A 85 -17.636 5.854 -7.810 1.00 0.56 H new ATOM 0 HG1 THR A 85 -19.585 3.783 -8.245 1.00 0.64 H new ATOM 0 HG21 THR A 85 -17.662 4.761 -10.040 1.00 0.65 H new ATOM 0 HG22 THR A 85 -16.199 4.345 -9.116 1.00 0.65 H new ATOM 0 HG23 THR A 85 -17.531 3.172 -9.249 1.00 0.65 H new ATOM 1383 N SER A 86 -19.649 3.991 -5.706 1.00 1.21 N ATOM 1384 CA SER A 86 -20.702 4.134 -4.692 1.00 1.44 C ATOM 1385 C SER A 86 -20.303 5.083 -3.561 1.00 0.94 C ATOM 1386 O SER A 86 -20.465 6.299 -3.672 1.00 1.80 O ATOM 1387 CB SER A 86 -21.073 2.765 -4.121 1.00 2.34 C ATOM 1388 OG SER A 86 -21.553 1.901 -5.137 1.00 2.95 O ATOM 0 H SER A 86 -19.991 3.652 -6.605 1.00 1.21 H new ATOM 0 HA SER A 86 -21.567 4.572 -5.189 1.00 1.44 H new ATOM 0 HB2 SER A 86 -20.201 2.319 -3.642 1.00 2.34 H new ATOM 0 HB3 SER A 86 -21.835 2.883 -3.350 1.00 2.34 H new ATOM 0 HG SER A 86 -21.782 1.032 -4.746 1.00 2.95 H new ATOM 1394 N SER A 87 -19.780 4.517 -2.477 1.00 0.79 N ATOM 1395 CA SER A 87 -19.358 5.301 -1.322 1.00 1.15 C ATOM 1396 C SER A 87 -18.374 4.510 -0.470 1.00 0.95 C ATOM 1397 O SER A 87 -17.328 5.023 -0.069 1.00 0.92 O ATOM 1398 CB SER A 87 -20.570 5.705 -0.479 1.00 1.76 C ATOM 1399 OG SER A 87 -21.466 6.511 -1.224 1.00 2.42 O ATOM 0 H SER A 87 -19.638 3.512 -2.375 1.00 0.79 H new ATOM 0 HA SER A 87 -18.863 6.202 -1.684 1.00 1.15 H new ATOM 0 HB2 SER A 87 -21.086 4.812 -0.128 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.237 6.249 0.405 1.00 1.76 H new ATOM 0 HG SER A 87 -21.037 6.791 -2.059 1.00 2.42 H new ATOM 1405 N SER A 88 -18.718 3.255 -0.198 1.00 0.90 N ATOM 1406 CA SER A 88 -17.867 2.381 0.602 1.00 0.79 C ATOM 1407 C SER A 88 -16.610 2.001 -0.171 1.00 0.60 C ATOM 1408 O SER A 88 -15.585 1.657 0.419 1.00 0.53 O ATOM 1409 CB SER A 88 -18.632 1.120 1.007 1.00 0.91 C ATOM 1410 OG SER A 88 -19.046 0.386 -0.133 1.00 1.36 O ATOM 0 H SER A 88 -19.582 2.820 -0.521 1.00 0.90 H new ATOM 0 HA SER A 88 -17.573 2.921 1.502 1.00 0.79 H new ATOM 0 HB2 SER A 88 -18.000 0.494 1.637 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.503 1.395 1.602 1.00 0.91 H new ATOM 0 HG SER A 88 -19.531 -0.416 0.153 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.697 2.065 -1.497 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.569 1.729 -2.354 1.00 0.40 C ATOM 1418 C ALA A 89 -14.397 2.675 -2.115 1.00 0.33 C ATOM 1419 O ALA A 89 -13.243 2.268 -2.186 1.00 0.29 O ATOM 1420 CB ALA A 89 -15.985 1.751 -3.819 1.00 0.39 C ATOM 0 H ALA A 89 -17.539 2.347 -2.000 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.243 0.720 -2.102 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -15.129 1.497 -4.444 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.781 1.025 -3.982 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -16.343 2.747 -4.081 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.699 3.939 -1.839 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.663 4.935 -1.581 1.00 0.35 C ATOM 1428 C ALA A 90 -12.895 4.606 -0.309 1.00 0.34 C ATOM 1429 O ALA A 90 -11.666 4.636 -0.294 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.283 6.321 -1.488 1.00 0.42 C ATOM 0 H ALA A 90 -15.652 4.299 -1.788 1.00 0.37 H new ATOM 0 HA ALA A 90 -12.957 4.920 -2.411 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.502 7.057 -1.295 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -14.783 6.560 -2.427 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.009 6.341 -0.675 1.00 0.42 H new ATOM 1436 N SER A 91 -13.623 4.280 0.754 1.00 0.38 N ATOM 1437 CA SER A 91 -13.001 3.940 2.026 1.00 0.39 C ATOM 1438 C SER A 91 -12.164 2.672 1.890 1.00 0.36 C ATOM 1439 O SER A 91 -11.036 2.602 2.383 1.00 0.36 O ATOM 1440 CB SER A 91 -14.064 3.753 3.111 1.00 0.45 C ATOM 1441 OG SER A 91 -14.920 2.667 2.806 1.00 1.35 O ATOM 0 H SER A 91 -14.642 4.244 0.759 1.00 0.38 H new ATOM 0 HA SER A 91 -12.347 4.762 2.316 1.00 0.39 H new ATOM 0 HB2 SER A 91 -13.580 3.579 4.072 1.00 0.45 H new ATOM 0 HB3 SER A 91 -14.651 4.666 3.210 1.00 0.45 H new ATOM 0 HG SER A 91 -15.023 2.595 1.834 1.00 1.35 H new ATOM 1447 N SER A 92 -12.721 1.673 1.210 1.00 0.34 N ATOM 1448 CA SER A 92 -12.025 0.410 1.010 1.00 0.33 C ATOM 1449 C SER A 92 -10.819 0.598 0.101 1.00 0.29 C ATOM 1450 O SER A 92 -9.756 0.035 0.348 1.00 0.29 O ATOM 1451 CB SER A 92 -12.970 -0.638 0.420 1.00 0.35 C ATOM 1452 OG SER A 92 -12.301 -1.870 0.214 1.00 1.41 O ATOM 0 H SER A 92 -13.650 1.716 0.790 1.00 0.34 H new ATOM 0 HA SER A 92 -11.676 0.059 1.981 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.816 -0.788 1.091 1.00 0.35 H new ATOM 0 HB3 SER A 92 -13.373 -0.277 -0.526 1.00 0.35 H new ATOM 0 HG SER A 92 -12.801 -2.409 -0.434 1.00 1.41 H new ATOM 1458 N LEU A 93 -10.986 1.399 -0.948 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.896 1.654 -1.876 1.00 0.24 C ATOM 1460 C LEU A 93 -8.868 2.565 -1.226 1.00 0.26 C ATOM 1461 O LEU A 93 -7.714 2.610 -1.644 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.417 2.264 -3.180 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.763 1.253 -4.279 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.498 0.621 -4.839 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.706 0.179 -3.751 1.00 0.29 C ATOM 0 H LEU A 93 -11.858 1.877 -1.173 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.419 0.705 -2.123 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.306 2.853 -2.957 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.666 2.954 -3.566 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.270 1.786 -5.083 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.763 -0.094 -5.618 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.859 1.397 -5.261 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.964 0.106 -4.040 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.937 -0.527 -4.549 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -11.229 -0.350 -2.926 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.627 0.644 -3.400 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.300 3.294 -0.200 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.407 4.182 0.528 1.00 0.33 C ATOM 1479 C LYS A 94 -7.456 3.357 1.375 1.00 0.34 C ATOM 1480 O LYS A 94 -6.241 3.547 1.327 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.198 5.134 1.427 1.00 0.38 C ATOM 1482 CG LYS A 94 -8.791 6.592 1.285 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.386 6.846 1.802 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.286 6.597 3.300 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.023 7.141 3.872 1.00 0.48 N ATOM 0 H LYS A 94 -10.261 3.285 0.143 1.00 0.29 H new ATOM 0 HA LYS A 94 -7.844 4.776 -0.192 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.259 5.039 1.197 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.068 4.830 2.466 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -8.849 6.884 0.236 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -9.496 7.220 1.830 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -6.682 6.199 1.277 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.098 7.874 1.584 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.138 7.055 3.802 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.340 5.526 3.494 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -5.663 6.491 4.600 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.315 7.242 3.117 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.208 8.071 4.299 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.019 2.436 2.156 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.213 1.570 3.003 1.00 0.37 C ATOM 1501 C LYS A 95 -6.359 0.645 2.148 1.00 0.35 C ATOM 1502 O LYS A 95 -5.211 0.363 2.480 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.089 0.747 3.940 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.285 -0.133 4.879 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.165 -0.745 5.949 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.340 -1.422 7.031 1.00 1.08 C ATOM 1507 NZ LYS A 95 -8.200 -2.040 8.078 1.00 1.19 N ATOM 0 H LYS A 95 -9.024 2.274 2.217 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.564 2.202 3.608 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -8.716 1.419 4.527 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -8.758 0.122 3.348 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -6.797 -0.924 4.310 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.496 0.456 5.347 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -8.787 0.030 6.396 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -8.838 -1.472 5.495 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -6.709 -2.188 6.581 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -6.675 -0.691 7.492 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -7.600 -2.492 8.798 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.784 -1.305 8.525 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.817 -2.755 7.643 1.00 1.19 H new ATOM 1521 N GLN A 96 -6.929 0.172 1.046 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.208 -0.709 0.142 1.00 0.30 C ATOM 1523 C GLN A 96 -5.056 0.040 -0.514 1.00 0.31 C ATOM 1524 O GLN A 96 -3.961 -0.497 -0.668 1.00 0.35 O ATOM 1525 CB GLN A 96 -7.144 -1.274 -0.924 1.00 0.29 C ATOM 1526 CG GLN A 96 -8.098 -2.331 -0.394 1.00 0.33 C ATOM 1527 CD GLN A 96 -7.377 -3.487 0.270 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -7.019 -4.465 -0.384 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -7.164 -3.381 1.578 1.00 1.11 N ATOM 0 H GLN A 96 -7.885 0.384 0.760 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.806 -1.540 0.721 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.723 -0.458 -1.357 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.548 -1.705 -1.728 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.780 -1.873 0.323 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -8.706 -2.711 -1.215 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -7.479 -2.551 2.080 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -6.686 -4.130 2.079 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.310 1.292 -0.885 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.298 2.123 -1.524 1.00 0.32 C ATOM 1540 C TYR A 97 -3.151 2.421 -0.562 1.00 0.36 C ATOM 1541 O TYR A 97 -1.978 2.290 -0.921 1.00 0.41 O ATOM 1542 CB TYR A 97 -4.938 3.425 -2.019 1.00 0.33 C ATOM 1543 CG TYR A 97 -3.990 4.599 -2.080 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.065 4.717 -3.106 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -4.023 5.589 -1.107 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.197 5.789 -3.162 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -3.160 6.664 -1.156 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.250 6.761 -2.184 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.385 7.828 -2.232 1.00 0.41 O ATOM 0 H TYR A 97 -6.210 1.753 -0.753 1.00 0.30 H new ATOM 0 HA TYR A 97 -3.886 1.581 -2.376 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.354 3.257 -3.012 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.771 3.679 -1.363 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.023 3.958 -3.873 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.736 5.516 -0.299 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.481 5.866 -3.967 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -3.198 7.426 -0.391 1.00 0.36 H new ATOM 0 HH TYR A 97 -0.694 7.720 -1.545 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.493 2.814 0.662 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.484 3.121 1.666 1.00 0.42 C ATOM 1561 C ILE A 98 -1.738 1.854 2.070 1.00 0.41 C ATOM 1562 O ILE A 98 -0.551 1.892 2.391 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.099 3.788 2.914 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.135 2.871 3.565 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.721 5.125 2.541 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -4.758 3.447 4.820 1.00 0.44 C ATOM 0 H ILE A 98 -4.456 2.926 0.979 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.785 3.828 1.220 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.305 3.965 3.639 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -4.924 2.659 2.843 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -3.662 1.920 3.809 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.152 5.586 3.430 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -2.954 5.780 2.127 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.503 4.968 1.798 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.482 2.740 5.224 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -3.980 3.633 5.560 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.261 4.384 4.580 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.449 0.730 2.048 1.00 0.44 N ATOM 1579 CA GLN A 99 -1.857 -0.559 2.382 1.00 0.45 C ATOM 1580 C GLN A 99 -1.036 -1.063 1.210 1.00 0.47 C ATOM 1581 O GLN A 99 -0.106 -1.850 1.378 1.00 0.52 O ATOM 1582 CB GLN A 99 -2.948 -1.588 2.710 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.541 -1.435 4.103 1.00 0.43 C ATOM 1584 CD GLN A 99 -2.579 -1.851 5.200 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -2.607 -1.307 6.305 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -1.725 -2.824 4.905 1.00 1.84 N ATOM 0 H GLN A 99 -3.438 0.687 1.802 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.219 -0.428 3.256 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -3.747 -1.502 1.974 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -2.530 -2.590 2.612 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -3.833 -0.396 4.257 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.448 -2.035 4.175 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -1.735 -3.248 3.977 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -1.059 -3.148 5.606 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.383 -0.582 0.022 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.721 -1.002 -1.201 1.00 0.49 C ATOM 1597 C CYS A 100 0.612 -0.297 -1.450 1.00 0.60 C ATOM 1598 O CYS A 100 1.575 -0.945 -1.859 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.649 -0.778 -2.394 1.00 0.43 C ATOM 1600 SG CYS A 100 -0.992 -1.384 -3.961 1.00 0.55 S ATOM 0 H CYS A 100 -2.125 0.104 -0.117 1.00 0.45 H new ATOM 0 HA CYS A 100 -0.496 -2.062 -1.081 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.602 -1.270 -2.197 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.854 0.289 -2.486 1.00 0.43 H new ATOM 0 HG CYS A 100 -1.849 -1.151 -4.910 1.00 0.55 H new ATOM 1606 N LEU A 101 0.695 1.016 -1.212 1.00 0.63 N ATOM 1607 CA LEU A 101 1.954 1.714 -1.481 1.00 0.81 C ATOM 1608 C LEU A 101 2.062 3.098 -0.837 1.00 0.75 C ATOM 1609 O LEU A 101 2.613 4.017 -1.446 1.00 0.85 O ATOM 1610 CB LEU A 101 2.141 1.854 -2.996 1.00 1.26 C ATOM 1611 CG LEU A 101 1.118 2.753 -3.702 1.00 0.67 C ATOM 1612 CD1 LEU A 101 1.622 3.149 -5.080 1.00 1.58 C ATOM 1613 CD2 LEU A 101 -0.232 2.056 -3.814 1.00 1.42 C ATOM 0 H LEU A 101 -0.061 1.596 -0.849 1.00 0.63 H new ATOM 0 HA LEU A 101 2.737 1.105 -1.030 1.00 0.81 H new ATOM 0 HB2 LEU A 101 3.139 2.247 -3.188 1.00 1.26 H new ATOM 0 HB3 LEU A 101 2.098 0.861 -3.444 1.00 1.26 H new ATOM 0 HG LEU A 101 0.989 3.655 -3.103 1.00 0.67 H new ATOM 0 HD11 LEU A 101 0.885 3.787 -5.568 1.00 1.58 H new ATOM 0 HD12 LEU A 101 2.562 3.691 -4.981 1.00 1.58 H new ATOM 0 HD13 LEU A 101 1.781 2.253 -5.681 1.00 1.58 H new ATOM 0 HD21 LEU A 101 -0.940 2.714 -4.318 1.00 1.42 H new ATOM 0 HD22 LEU A 101 -0.120 1.136 -4.387 1.00 1.42 H new ATOM 0 HD23 LEU A 101 -0.603 1.819 -2.817 1.00 1.42 H new ATOM 1625 N TYR A 102 1.562 3.265 0.381 1.00 0.74 N ATOM 1626 CA TYR A 102 1.662 4.567 1.043 1.00 0.90 C ATOM 1627 C TYR A 102 3.112 4.870 1.403 1.00 0.96 C ATOM 1628 O TYR A 102 3.656 5.899 1.002 1.00 1.13 O ATOM 1629 CB TYR A 102 0.782 4.617 2.296 1.00 0.98 C ATOM 1630 CG TYR A 102 0.410 6.019 2.756 1.00 1.21 C ATOM 1631 CD1 TYR A 102 1.040 7.151 2.241 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.581 6.205 3.713 1.00 0.96 C ATOM 1633 CE1 TYR A 102 0.692 8.418 2.666 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.933 7.470 4.142 1.00 1.21 C ATOM 1635 CZ TYR A 102 -0.295 8.573 3.616 1.00 1.70 C ATOM 1636 OH TYR A 102 -0.643 9.834 4.042 1.00 1.96 O ATOM 0 H TYR A 102 1.094 2.538 0.922 1.00 0.74 H new ATOM 0 HA TYR A 102 1.306 5.327 0.348 1.00 0.90 H new ATOM 0 HB2 TYR A 102 -0.133 4.058 2.103 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.301 4.108 3.108 1.00 0.98 H new ATOM 0 HD1 TYR A 102 1.814 7.035 1.497 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -1.085 5.345 4.129 1.00 0.96 H new ATOM 0 HE1 TYR A 102 1.191 9.284 2.256 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.705 7.594 4.887 1.00 1.21 H new ATOM 0 HH TYR A 102 -1.355 9.768 4.712 1.00 1.96 H new ATOM 1646 N ALA A 103 3.735 3.972 2.155 1.00 0.96 N ATOM 1647 CA ALA A 103 5.130 4.143 2.532 1.00 1.15 C ATOM 1648 C ALA A 103 6.003 3.896 1.321 1.00 1.04 C ATOM 1649 O ALA A 103 7.077 4.483 1.171 1.00 1.16 O ATOM 1650 CB ALA A 103 5.511 3.199 3.660 1.00 1.39 C ATOM 0 H ALA A 103 3.299 3.123 2.514 1.00 0.96 H new ATOM 0 HA ALA A 103 5.278 5.162 2.890 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.559 3.348 3.921 1.00 1.39 H new ATOM 0 HB2 ALA A 103 4.887 3.402 4.531 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.361 2.168 3.338 1.00 1.39 H new ATOM 1656 N PHE A 104 5.523 3.013 0.456 1.00 0.87 N ATOM 1657 CA PHE A 104 6.235 2.668 -0.754 1.00 0.87 C ATOM 1658 C PHE A 104 6.465 3.893 -1.612 1.00 0.85 C ATOM 1659 O PHE A 104 7.448 3.957 -2.339 1.00 0.93 O ATOM 1660 CB PHE A 104 5.494 1.589 -1.531 1.00 0.96 C ATOM 1661 CG PHE A 104 5.521 0.272 -0.818 1.00 1.89 C ATOM 1662 CD1 PHE A 104 4.657 0.025 0.236 1.00 2.80 C ATOM 1663 CD2 PHE A 104 6.428 -0.708 -1.182 1.00 2.36 C ATOM 1664 CE1 PHE A 104 4.698 -1.176 0.916 1.00 4.03 C ATOM 1665 CE2 PHE A 104 6.472 -1.911 -0.509 1.00 3.48 C ATOM 1666 CZ PHE A 104 5.606 -2.145 0.543 1.00 4.31 C ATOM 0 H PHE A 104 4.637 2.523 0.577 1.00 0.87 H new ATOM 0 HA PHE A 104 7.209 2.269 -0.471 1.00 0.87 H new ATOM 0 HB2 PHE A 104 4.460 1.898 -1.685 1.00 0.96 H new ATOM 0 HB3 PHE A 104 5.944 1.478 -2.517 1.00 0.96 H new ATOM 0 HD1 PHE A 104 3.943 0.780 0.529 1.00 2.80 H new ATOM 0 HD2 PHE A 104 7.108 -0.529 -2.001 1.00 2.36 H new ATOM 0 HE1 PHE A 104 4.021 -1.356 1.738 1.00 4.03 H new ATOM 0 HE2 PHE A 104 7.182 -2.669 -0.803 1.00 3.48 H new ATOM 0 HZ PHE A 104 5.640 -3.086 1.072 1.00 4.31 H new ATOM 1676 N GLU A 105 5.564 4.872 -1.538 1.00 0.90 N ATOM 1677 CA GLU A 105 5.748 6.085 -2.320 1.00 1.14 C ATOM 1678 C GLU A 105 7.112 6.684 -2.000 1.00 1.25 C ATOM 1679 O GLU A 105 7.843 7.098 -2.896 1.00 1.40 O ATOM 1680 CB GLU A 105 4.641 7.099 -2.026 1.00 1.31 C ATOM 1681 CG GLU A 105 4.852 8.441 -2.710 1.00 1.56 C ATOM 1682 CD GLU A 105 4.883 8.328 -4.223 1.00 2.56 C ATOM 1683 OE1 GLU A 105 3.797 8.337 -4.841 1.00 3.26 O ATOM 1684 OE2 GLU A 105 5.992 8.232 -4.789 1.00 2.95 O ATOM 0 H GLU A 105 4.723 4.849 -0.961 1.00 0.90 H new ATOM 0 HA GLU A 105 5.697 5.834 -3.380 1.00 1.14 H new ATOM 0 HB2 GLU A 105 3.685 6.684 -2.344 1.00 1.31 H new ATOM 0 HB3 GLU A 105 4.578 7.255 -0.949 1.00 1.31 H new ATOM 0 HG2 GLU A 105 4.054 9.123 -2.417 1.00 1.56 H new ATOM 0 HG3 GLU A 105 5.788 8.878 -2.363 1.00 1.56 H new ATOM 1691 N CYS A 106 7.446 6.708 -0.713 1.00 1.26 N ATOM 1692 CA CYS A 106 8.733 7.222 -0.254 1.00 1.44 C ATOM 1693 C CYS A 106 9.830 6.231 -0.596 1.00 1.36 C ATOM 1694 O CYS A 106 10.946 6.605 -0.947 1.00 1.50 O ATOM 1695 CB CYS A 106 8.691 7.449 1.259 1.00 1.58 C ATOM 1696 SG CYS A 106 10.001 8.519 1.892 1.00 1.89 S ATOM 0 H CYS A 106 6.838 6.375 0.035 1.00 1.26 H new ATOM 0 HA CYS A 106 8.939 8.170 -0.751 1.00 1.44 H new ATOM 0 HB2 CYS A 106 7.726 7.883 1.522 1.00 1.58 H new ATOM 0 HB3 CYS A 106 8.754 6.483 1.761 1.00 1.58 H new ATOM 0 HG CYS A 106 9.873 8.647 3.179 1.00 1.89 H new ATOM 1702 N LYS A 107 9.493 4.960 -0.482 1.00 1.19 N ATOM 1703 CA LYS A 107 10.424 3.892 -0.788 1.00 1.19 C ATOM 1704 C LYS A 107 10.772 3.893 -2.274 1.00 1.18 C ATOM 1705 O LYS A 107 11.831 3.412 -2.673 1.00 1.25 O ATOM 1706 CB LYS A 107 9.793 2.560 -0.401 1.00 1.17 C ATOM 1707 CG LYS A 107 10.595 1.347 -0.829 1.00 1.31 C ATOM 1708 CD LYS A 107 9.734 0.105 -0.813 1.00 1.24 C ATOM 1709 CE LYS A 107 10.034 -0.791 -2.000 1.00 2.00 C ATOM 1710 NZ LYS A 107 9.682 -0.138 -3.291 1.00 2.84 N ATOM 0 H LYS A 107 8.573 4.641 -0.177 1.00 1.19 H new ATOM 0 HA LYS A 107 11.344 4.044 -0.223 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.663 2.533 0.681 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.799 2.499 -0.843 1.00 1.17 H new ATOM 0 HG2 LYS A 107 10.996 1.505 -1.830 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.447 1.214 -0.162 1.00 1.31 H new ATOM 0 HD2 LYS A 107 9.904 -0.445 0.112 1.00 1.24 H new ATOM 0 HD3 LYS A 107 8.682 0.389 -0.826 1.00 1.24 H new ATOM 0 HE2 LYS A 107 11.093 -1.050 -2.001 1.00 2.00 H new ATOM 0 HE3 LYS A 107 9.478 -1.723 -1.901 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 8.834 -0.590 -3.689 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 9.493 0.872 -3.129 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 10.473 -0.239 -3.958 1.00 2.84 H new ATOM 1724 N ILE A 108 9.861 4.420 -3.086 1.00 1.14 N ATOM 1725 CA ILE A 108 10.048 4.477 -4.529 1.00 1.20 C ATOM 1726 C ILE A 108 10.723 5.777 -4.985 1.00 1.36 C ATOM 1727 O ILE A 108 11.541 5.764 -5.905 1.00 1.39 O ATOM 1728 CB ILE A 108 8.698 4.322 -5.263 1.00 1.14 C ATOM 1729 CG1 ILE A 108 8.055 2.961 -4.934 1.00 1.21 C ATOM 1730 CG2 ILE A 108 8.877 4.494 -6.763 1.00 1.42 C ATOM 1731 CD1 ILE A 108 8.173 1.918 -6.032 1.00 1.07 C ATOM 0 H ILE A 108 8.978 4.817 -2.764 1.00 1.14 H new ATOM 0 HA ILE A 108 10.707 3.648 -4.785 1.00 1.20 H new ATOM 0 HB ILE A 108 8.026 5.106 -4.914 1.00 1.14 H new ATOM 0 HG12 ILE A 108 8.515 2.567 -4.028 1.00 1.21 H new ATOM 0 HG13 ILE A 108 6.999 3.118 -4.713 1.00 1.21 H new ATOM 0 HG21 ILE A 108 7.913 4.381 -7.260 1.00 1.42 H new ATOM 0 HG22 ILE A 108 9.278 5.486 -6.970 1.00 1.42 H new ATOM 0 HG23 ILE A 108 9.568 3.738 -7.136 1.00 1.42 H new ATOM 0 HD11 ILE A 108 7.692 0.994 -5.710 1.00 1.07 H new ATOM 0 HD12 ILE A 108 7.686 2.285 -6.936 1.00 1.07 H new ATOM 0 HD13 ILE A 108 9.226 1.726 -6.239 1.00 1.07 H new ATOM 1743 N GLU A 109 10.370 6.901 -4.354 1.00 1.53 N ATOM 1744 CA GLU A 109 10.932 8.200 -4.741 1.00 1.75 C ATOM 1745 C GLU A 109 12.102 8.640 -3.859 1.00 1.94 C ATOM 1746 O GLU A 109 13.111 9.139 -4.362 1.00 1.93 O ATOM 1747 CB GLU A 109 9.843 9.274 -4.709 1.00 2.21 C ATOM 1748 CG GLU A 109 9.393 9.648 -3.305 1.00 2.67 C ATOM 1749 CD GLU A 109 8.308 10.708 -3.303 1.00 3.61 C ATOM 1750 OE1 GLU A 109 7.120 10.342 -3.413 1.00 4.40 O ATOM 1751 OE2 GLU A 109 8.649 11.904 -3.193 1.00 3.70 O ATOM 0 H GLU A 109 9.705 6.939 -3.581 1.00 1.53 H new ATOM 0 HA GLU A 109 11.320 8.077 -5.752 1.00 1.75 H new ATOM 0 HB2 GLU A 109 10.212 10.168 -5.213 1.00 2.21 H new ATOM 0 HB3 GLU A 109 8.981 8.922 -5.275 1.00 2.21 H new ATOM 0 HG2 GLU A 109 9.026 8.757 -2.796 1.00 2.67 H new ATOM 0 HG3 GLU A 109 10.250 10.010 -2.737 1.00 2.67 H new ATOM 1758 N ARG A 110 11.970 8.456 -2.552 1.00 2.33 N ATOM 1759 CA ARG A 110 13.011 8.870 -1.614 1.00 2.84 C ATOM 1760 C ARG A 110 14.118 7.831 -1.515 1.00 2.84 C ATOM 1761 O ARG A 110 13.854 6.634 -1.402 1.00 3.18 O ATOM 1762 CB ARG A 110 12.397 9.127 -0.240 1.00 3.59 C ATOM 1763 CG ARG A 110 13.356 9.750 0.763 1.00 4.30 C ATOM 1764 CD ARG A 110 14.103 8.690 1.559 1.00 5.11 C ATOM 1765 NE ARG A 110 14.934 9.277 2.606 1.00 6.04 N ATOM 1766 CZ ARG A 110 15.527 8.569 3.562 1.00 6.84 C ATOM 1767 NH1 ARG A 110 15.387 7.251 3.600 1.00 6.92 N ATOM 1768 NH2 ARG A 110 16.262 9.180 4.481 1.00 7.79 N ATOM 0 H ARG A 110 11.155 8.024 -2.116 1.00 2.33 H new ATOM 0 HA ARG A 110 13.458 9.791 -1.987 1.00 2.84 H new ATOM 0 HB2 ARG A 110 11.534 9.783 -0.357 1.00 3.59 H new ATOM 0 HB3 ARG A 110 12.029 8.184 0.163 1.00 3.59 H new ATOM 0 HG2 ARG A 110 14.072 10.383 0.238 1.00 4.30 H new ATOM 0 HG3 ARG A 110 12.801 10.394 1.445 1.00 4.30 H new ATOM 0 HD2 ARG A 110 13.387 8.002 2.008 1.00 5.11 H new ATOM 0 HD3 ARG A 110 14.729 8.104 0.885 1.00 5.11 H new ATOM 0 HE ARG A 110 15.067 10.288 2.604 1.00 6.04 H new ATOM 0 HH11 ARG A 110 14.823 6.777 2.894 1.00 6.92 H new ATOM 0 HH12 ARG A 110 15.843 6.711 4.335 1.00 6.92 H new ATOM 0 HH21 ARG A 110 16.372 10.194 4.455 1.00 7.79 H new ATOM 0 HH22 ARG A 110 16.717 8.636 5.214 1.00 7.79 H new ATOM 1782 N GLY A 111 15.361 8.303 -1.543 1.00 3.09 N ATOM 1783 CA GLY A 111 16.498 7.408 -1.467 1.00 3.57 C ATOM 1784 C GLY A 111 16.584 6.506 -2.678 1.00 3.37 C ATOM 1785 O GLY A 111 17.275 5.488 -2.660 1.00 3.90 O ATOM 0 H GLY A 111 15.600 9.292 -1.617 1.00 3.09 H new ATOM 0 HA2 GLY A 111 17.415 7.991 -1.382 1.00 3.57 H new ATOM 0 HA3 GLY A 111 16.423 6.800 -0.565 1.00 3.57 H new ATOM 1789 N GLU A 112 15.875 6.888 -3.735 1.00 2.96 N ATOM 1790 CA GLU A 112 15.857 6.114 -4.967 1.00 3.23 C ATOM 1791 C GLU A 112 16.361 6.944 -6.144 1.00 3.81 C ATOM 1792 O GLU A 112 16.296 6.511 -7.294 1.00 4.33 O ATOM 1793 CB GLU A 112 14.441 5.614 -5.253 1.00 2.71 C ATOM 1794 CG GLU A 112 13.738 5.040 -4.034 1.00 2.52 C ATOM 1795 CD GLU A 112 14.595 4.041 -3.279 1.00 3.43 C ATOM 1796 OE1 GLU A 112 15.011 3.034 -3.890 1.00 4.13 O ATOM 1797 OE2 GLU A 112 14.848 4.263 -2.076 1.00 3.75 O ATOM 0 H GLU A 112 15.304 7.733 -3.761 1.00 2.96 H new ATOM 0 HA GLU A 112 16.522 5.260 -4.840 1.00 3.23 H new ATOM 0 HB2 GLU A 112 13.847 6.438 -5.649 1.00 2.71 H new ATOM 0 HB3 GLU A 112 14.485 4.850 -6.029 1.00 2.71 H new ATOM 0 HG2 GLU A 112 13.460 5.853 -3.364 1.00 2.52 H new ATOM 0 HG3 GLU A 112 12.814 4.555 -4.348 1.00 2.52 H new ATOM 1804 N ASP A 113 16.867 8.138 -5.847 1.00 4.16 N ATOM 1805 CA ASP A 113 17.377 9.031 -6.885 1.00 4.98 C ATOM 1806 C ASP A 113 18.741 9.628 -6.513 1.00 5.17 C ATOM 1807 O ASP A 113 19.694 9.502 -7.282 1.00 5.40 O ATOM 1808 CB ASP A 113 16.367 10.146 -7.178 1.00 5.30 C ATOM 1809 CG ASP A 113 16.863 11.108 -8.239 1.00 6.34 C ATOM 1810 OD1 ASP A 113 16.739 10.784 -9.440 1.00 6.77 O ATOM 1811 OD2 ASP A 113 17.373 12.187 -7.870 1.00 6.92 O ATOM 0 H ASP A 113 16.935 8.509 -4.899 1.00 4.16 H new ATOM 0 HA ASP A 113 17.518 8.433 -7.786 1.00 4.98 H new ATOM 0 HB2 ASP A 113 15.425 9.704 -7.503 1.00 5.30 H new ATOM 0 HB3 ASP A 113 16.160 10.696 -6.260 1.00 5.30 H new ATOM 1816 N PRO A 114 18.871 10.287 -5.337 1.00 5.29 N ATOM 1817 CA PRO A 114 20.145 10.888 -4.921 1.00 5.63 C ATOM 1818 C PRO A 114 21.278 9.861 -4.857 1.00 6.02 C ATOM 1819 O PRO A 114 21.189 8.882 -4.114 1.00 6.48 O ATOM 1820 CB PRO A 114 19.855 11.451 -3.523 1.00 5.90 C ATOM 1821 CG PRO A 114 18.601 10.780 -3.079 1.00 5.86 C ATOM 1822 CD PRO A 114 17.818 10.501 -4.328 1.00 5.38 C ATOM 0 HA PRO A 114 20.480 11.644 -5.631 1.00 5.63 H new ATOM 0 HB2 PRO A 114 20.676 11.242 -2.837 1.00 5.90 H new ATOM 0 HB3 PRO A 114 19.732 12.534 -3.553 1.00 5.90 H new ATOM 0 HG2 PRO A 114 18.821 9.857 -2.542 1.00 5.86 H new ATOM 0 HG3 PRO A 114 18.037 11.418 -2.399 1.00 5.86 H new ATOM 0 HD2 PRO A 114 17.180 9.624 -4.217 1.00 5.38 H new ATOM 0 HD3 PRO A 114 17.169 11.336 -4.593 1.00 5.38 H new ATOM 1830 N PRO A 115 22.359 10.066 -5.639 1.00 6.12 N ATOM 1831 CA PRO A 115 23.503 9.146 -5.659 1.00 6.70 C ATOM 1832 C PRO A 115 24.077 8.900 -4.263 1.00 7.65 C ATOM 1833 O PRO A 115 24.303 9.844 -3.506 1.00 8.07 O ATOM 1834 CB PRO A 115 24.531 9.867 -6.536 1.00 6.80 C ATOM 1835 CG PRO A 115 23.725 10.772 -7.400 1.00 6.57 C ATOM 1836 CD PRO A 115 22.552 11.200 -6.564 1.00 6.02 C ATOM 0 HA PRO A 115 23.222 8.161 -6.031 1.00 6.70 H new ATOM 0 HB2 PRO A 115 25.243 10.428 -5.931 1.00 6.80 H new ATOM 0 HB3 PRO A 115 25.107 9.160 -7.133 1.00 6.80 H new ATOM 0 HG2 PRO A 115 24.312 11.633 -7.719 1.00 6.57 H new ATOM 0 HG3 PRO A 115 23.395 10.259 -8.303 1.00 6.57 H new ATOM 0 HD2 PRO A 115 22.758 12.126 -6.027 1.00 6.02 H new ATOM 0 HD3 PRO A 115 21.666 11.376 -7.175 1.00 6.02 H new ATOM 1844 N PRO A 116 24.326 7.626 -3.903 1.00 8.23 N ATOM 1845 CA PRO A 116 24.876 7.276 -2.594 1.00 9.31 C ATOM 1846 C PRO A 116 26.382 7.512 -2.514 1.00 9.94 C ATOM 1847 O PRO A 116 26.849 8.367 -1.761 1.00 10.77 O ATOM 1848 CB PRO A 116 24.558 5.785 -2.474 1.00 9.77 C ATOM 1849 CG PRO A 116 24.545 5.281 -3.878 1.00 9.23 C ATOM 1850 CD PRO A 116 24.094 6.430 -4.742 1.00 8.14 C ATOM 0 HA PRO A 116 24.455 7.884 -1.794 1.00 9.31 H new ATOM 0 HB2 PRO A 116 25.308 5.268 -1.876 1.00 9.77 H new ATOM 0 HB3 PRO A 116 23.596 5.624 -1.988 1.00 9.77 H new ATOM 0 HG2 PRO A 116 25.536 4.937 -4.176 1.00 9.23 H new ATOM 0 HG3 PRO A 116 23.869 4.432 -3.979 1.00 9.23 H new ATOM 0 HD2 PRO A 116 24.663 6.478 -5.670 1.00 8.14 H new ATOM 0 HD3 PRO A 116 23.044 6.334 -5.017 1.00 8.14 H new ATOM 1858 N ASP A 117 27.130 6.748 -3.303 1.00 9.71 N ATOM 1859 CA ASP A 117 28.583 6.852 -3.338 1.00 10.46 C ATOM 1860 C ASP A 117 29.137 5.915 -4.399 1.00 11.09 C ATOM 1861 O ASP A 117 29.747 6.355 -5.374 1.00 12.07 O ATOM 1862 CB ASP A 117 29.176 6.506 -1.971 1.00 11.26 C ATOM 1863 CG ASP A 117 30.679 6.701 -1.922 1.00 11.99 C ATOM 1864 OD1 ASP A 117 31.122 7.856 -1.747 1.00 12.59 O ATOM 1865 OD2 ASP A 117 31.412 5.699 -2.057 1.00 12.06 O ATOM 0 H ASP A 117 26.748 6.043 -3.933 1.00 9.71 H new ATOM 0 HA ASP A 117 28.858 7.878 -3.584 1.00 10.46 H new ATOM 0 HB2 ASP A 117 28.707 7.127 -1.208 1.00 11.26 H new ATOM 0 HB3 ASP A 117 28.939 5.470 -1.728 1.00 11.26 H new ATOM 1870 N ILE A 118 28.912 4.617 -4.189 1.00 10.65 N ATOM 1871 CA ILE A 118 29.354 3.576 -5.115 1.00 11.40 C ATOM 1872 C ILE A 118 30.801 3.801 -5.578 1.00 11.83 C ATOM 1873 O ILE A 118 31.527 4.611 -5.001 1.00 11.94 O ATOM 1874 CB ILE A 118 28.384 3.482 -6.323 1.00 11.08 C ATOM 1875 CG1 ILE A 118 28.360 2.058 -6.883 1.00 12.09 C ATOM 1876 CG2 ILE A 118 28.748 4.483 -7.414 1.00 10.32 C ATOM 1877 CD1 ILE A 118 27.235 1.814 -7.869 1.00 12.08 C ATOM 0 H ILE A 118 28.418 4.259 -3.372 1.00 10.65 H new ATOM 0 HA ILE A 118 29.336 2.625 -4.583 1.00 11.40 H new ATOM 0 HB ILE A 118 27.385 3.733 -5.966 1.00 11.08 H new ATOM 0 HG12 ILE A 118 29.312 1.853 -7.372 1.00 12.09 H new ATOM 0 HG13 ILE A 118 28.268 1.353 -6.057 1.00 12.09 H new ATOM 0 HG21 ILE A 118 28.047 4.388 -8.243 1.00 10.32 H new ATOM 0 HG22 ILE A 118 28.698 5.495 -7.011 1.00 10.32 H new ATOM 0 HG23 ILE A 118 29.759 4.283 -7.769 1.00 10.32 H new ATOM 0 HD11 ILE A 118 27.280 0.785 -8.225 1.00 12.08 H new ATOM 0 HD12 ILE A 118 26.277 1.987 -7.378 1.00 12.08 H new ATOM 0 HD13 ILE A 118 27.338 2.495 -8.714 1.00 12.08 H new ATOM 1889 N PHE A 119 31.225 3.065 -6.604 1.00 12.27 N ATOM 1890 CA PHE A 119 32.583 3.185 -7.126 1.00 12.90 C ATOM 1891 C PHE A 119 32.756 4.458 -7.954 1.00 12.45 C ATOM 1892 O PHE A 119 33.741 4.605 -8.677 1.00 12.29 O ATOM 1893 CB PHE A 119 32.929 1.961 -7.976 1.00 13.53 C ATOM 1894 CG PHE A 119 32.727 0.655 -7.260 1.00 14.30 C ATOM 1895 CD1 PHE A 119 33.700 0.160 -6.407 1.00 14.84 C ATOM 1896 CD2 PHE A 119 31.563 -0.075 -7.440 1.00 14.59 C ATOM 1897 CE1 PHE A 119 33.516 -1.041 -5.747 1.00 15.66 C ATOM 1898 CE2 PHE A 119 31.373 -1.276 -6.782 1.00 15.41 C ATOM 1899 CZ PHE A 119 32.350 -1.759 -5.935 1.00 15.96 C ATOM 0 H PHE A 119 30.647 2.379 -7.090 1.00 12.27 H new ATOM 0 HA PHE A 119 33.262 3.242 -6.275 1.00 12.90 H new ATOM 0 HB2 PHE A 119 32.316 1.970 -8.878 1.00 13.53 H new ATOM 0 HB3 PHE A 119 33.968 2.033 -8.296 1.00 13.53 H new ATOM 0 HD1 PHE A 119 34.612 0.718 -6.256 1.00 14.84 H new ATOM 0 HD2 PHE A 119 30.796 0.298 -8.102 1.00 14.59 H new ATOM 0 HE1 PHE A 119 34.282 -1.418 -5.086 1.00 15.66 H new ATOM 0 HE2 PHE A 119 30.461 -1.836 -6.931 1.00 15.41 H new ATOM 0 HZ PHE A 119 32.204 -2.697 -5.420 1.00 15.96 H new ATOM 1909 N ALA A 120 31.797 5.375 -7.840 1.00 12.44 N ATOM 1910 CA ALA A 120 31.844 6.636 -8.576 1.00 12.26 C ATOM 1911 C ALA A 120 31.960 6.397 -10.079 1.00 12.67 C ATOM 1912 O ALA A 120 33.102 6.361 -10.587 1.00 13.33 O ATOM 1913 CB ALA A 120 33.001 7.494 -8.082 1.00 12.38 C ATOM 1914 OXT ALA A 120 30.909 6.249 -10.736 1.00 12.49 O ATOM 0 H ALA A 120 30.977 5.267 -7.244 1.00 12.44 H new ATOM 0 HA ALA A 120 30.909 7.167 -8.394 1.00 12.26 H new ATOM 0 HB1 ALA A 120 33.024 8.430 -8.640 1.00 12.38 H new ATOM 0 HB2 ALA A 120 32.869 7.706 -7.021 1.00 12.38 H new ATOM 0 HB3 ALA A 120 33.940 6.960 -8.231 1.00 12.38 H new TER 1920 ALA A 120