USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1081 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 32 THR OG1 : rot 167:sc= -0.458 USER MOD Set 1.2: A 110 GLN : amide:sc= 0.175 K(o=-0.28,f=-1.9) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot 150:sc= 0.396 USER MOD Set 3.2: A 43 THR OG1 : rot -146:sc= 0.0243 USER MOD Set 4.1: A 24 GLN : amide:sc= -0.107 X(o=-0.19,f=-0.44) USER MOD Set 4.2: A 76 GLN : amide:sc= -0.0858 K(o=-0.19,f=-2.5!) USER MOD Single : A 1 GLU N :NH3+ -158:sc= -0.0159 (180deg=-0.163) USER MOD Single : A 5 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.86) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 19 ASN : amide:sc= -0.0905 K(o=-0.091,f=-1.1) USER MOD Single : A 20 SER OG : rot -143:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot -150:sc= 0.0163 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -2.85! (180deg=-3.15!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 29 THR OG1 : rot 90:sc= -0.994 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 93:sc= 0.122 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.012) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.945 K(o=-0.95,f=-2.2!) USER MOD Single : A 80 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.779 K(o=-0.78,f=-4.3!) USER MOD Single : A 101 ASN : amide:sc= -0.629 K(o=-0.63,f=-3.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.6!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -160:sc= -1.74 USER MOD Single : A 124 MET CE :methyl -146:sc= -5.18! (180deg=-9.39!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 165:sc= -0.28 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -150:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.900 15.456 7.301 1.00 4.43 N ATOM 2 CA GLU A 1 -16.500 15.594 5.944 1.00 3.66 C ATOM 3 C GLU A 1 -17.261 14.315 5.596 1.00 3.46 C ATOM 4 O GLU A 1 -16.698 13.368 5.081 1.00 4.58 O ATOM 5 CB GLU A 1 -15.390 15.826 4.917 1.00 4.41 C ATOM 6 CG GLU A 1 -14.855 17.253 5.054 1.00 4.69 C ATOM 7 CD GLU A 1 -15.476 18.135 3.969 1.00 4.36 C ATOM 8 OE1 GLU A 1 -16.680 18.325 4.006 1.00 3.32 O ATOM 9 OE2 GLU A 1 -14.736 18.603 3.119 1.00 5.39 O ATOM 0 H1 GLU A 1 -15.714 16.400 7.696 1.00 4.43 H new ATOM 0 H2 GLU A 1 -16.560 14.945 7.922 1.00 4.43 H new ATOM 0 H3 GLU A 1 -15.007 14.927 7.234 1.00 4.43 H new ATOM 0 HA GLU A 1 -17.186 16.441 5.931 1.00 3.66 H new ATOM 0 HB2 GLU A 1 -14.584 15.108 5.069 1.00 4.41 H new ATOM 0 HB3 GLU A 1 -15.773 15.666 3.909 1.00 4.41 H new ATOM 0 HG2 GLU A 1 -15.094 17.649 6.041 1.00 4.69 H new ATOM 0 HG3 GLU A 1 -13.769 17.256 4.963 1.00 4.69 H new ATOM 18 N ALA A 2 -18.536 14.276 5.873 1.00 2.32 N ATOM 19 CA ALA A 2 -19.326 13.054 5.558 1.00 2.41 C ATOM 20 C ALA A 2 -20.696 13.454 5.007 1.00 1.47 C ATOM 21 O ALA A 2 -21.548 13.940 5.725 1.00 1.17 O ATOM 22 CB ALA A 2 -19.516 12.226 6.830 1.00 3.11 C ATOM 0 H ALA A 2 -19.063 15.036 6.303 1.00 2.32 H new ATOM 0 HA ALA A 2 -18.792 12.464 4.813 1.00 2.41 H new ATOM 0 HB1 ALA A 2 -20.094 11.332 6.599 1.00 3.11 H new ATOM 0 HB2 ALA A 2 -18.542 11.936 7.225 1.00 3.11 H new ATOM 0 HB3 ALA A 2 -20.047 12.819 7.574 1.00 3.11 H new ATOM 28 N GLU A 3 -20.916 13.243 3.740 1.00 2.29 N ATOM 29 CA GLU A 3 -22.233 13.599 3.146 1.00 2.93 C ATOM 30 C GLU A 3 -23.157 12.385 3.226 1.00 2.62 C ATOM 31 O GLU A 3 -24.049 12.325 4.050 1.00 2.45 O ATOM 32 CB GLU A 3 -22.042 13.998 1.682 1.00 4.31 C ATOM 33 CG GLU A 3 -22.280 15.501 1.531 1.00 5.35 C ATOM 34 CD GLU A 3 -23.718 15.744 1.069 1.00 5.97 C ATOM 35 OE1 GLU A 3 -24.556 14.898 1.335 1.00 5.46 O ATOM 36 OE2 GLU A 3 -23.956 16.773 0.458 1.00 7.06 O ATOM 0 H GLU A 3 -20.241 12.840 3.091 1.00 2.29 H new ATOM 0 HA GLU A 3 -22.671 14.434 3.692 1.00 2.93 H new ATOM 0 HB2 GLU A 3 -21.035 13.743 1.352 1.00 4.31 H new ATOM 0 HB3 GLU A 3 -22.735 13.443 1.049 1.00 4.31 H new ATOM 0 HG2 GLU A 3 -22.101 16.006 2.480 1.00 5.35 H new ATOM 0 HG3 GLU A 3 -21.579 15.921 0.810 1.00 5.35 H new ATOM 43 N ALA A 4 -22.945 11.414 2.383 1.00 3.16 N ATOM 44 CA ALA A 4 -23.805 10.200 2.415 1.00 3.47 C ATOM 45 C ALA A 4 -22.943 8.934 2.297 1.00 3.02 C ATOM 46 O ALA A 4 -23.460 7.843 2.158 1.00 3.84 O ATOM 47 CB ALA A 4 -24.795 10.247 1.249 1.00 5.08 C ATOM 0 H ALA A 4 -22.213 11.409 1.673 1.00 3.16 H new ATOM 0 HA ALA A 4 -24.346 10.175 3.361 1.00 3.47 H new ATOM 0 HB1 ALA A 4 -25.426 9.358 1.271 1.00 5.08 H new ATOM 0 HB2 ALA A 4 -25.419 11.137 1.337 1.00 5.08 H new ATOM 0 HB3 ALA A 4 -24.247 10.280 0.307 1.00 5.08 H new ATOM 53 N HIS A 5 -21.639 9.055 2.351 1.00 1.84 N ATOM 54 CA HIS A 5 -20.784 7.840 2.240 1.00 1.52 C ATOM 55 C HIS A 5 -19.312 8.229 2.391 1.00 0.85 C ATOM 56 O HIS A 5 -18.822 9.122 1.727 1.00 1.36 O ATOM 57 CB HIS A 5 -21.003 7.184 0.877 1.00 2.09 C ATOM 58 CG HIS A 5 -21.411 5.751 1.076 1.00 2.46 C ATOM 59 ND1 HIS A 5 -20.516 4.780 1.498 1.00 3.02 N ATOM 60 CD2 HIS A 5 -22.615 5.110 0.921 1.00 3.07 C ATOM 61 CE1 HIS A 5 -21.189 3.618 1.582 1.00 3.75 C ATOM 62 NE2 HIS A 5 -22.473 3.763 1.241 1.00 3.59 N ATOM 0 H HIS A 5 -21.137 9.935 2.466 1.00 1.84 H new ATOM 0 HA HIS A 5 -21.053 7.137 3.029 1.00 1.52 H new ATOM 0 HB2 HIS A 5 -21.773 7.720 0.322 1.00 2.09 H new ATOM 0 HB3 HIS A 5 -20.089 7.235 0.285 1.00 2.09 H new ATOM 0 HD2 HIS A 5 -23.533 5.580 0.600 1.00 3.07 H new ATOM 0 HE1 HIS A 5 -20.746 2.682 1.888 1.00 3.75 H new ATOM 0 HE2 HIS A 5 -23.194 3.042 1.220 1.00 3.59 H new ATOM 70 N LYS A 6 -18.606 7.562 3.261 1.00 0.43 N ATOM 71 CA LYS A 6 -17.167 7.884 3.467 1.00 0.70 C ATOM 72 C LYS A 6 -16.300 6.883 2.697 1.00 0.91 C ATOM 73 O LYS A 6 -15.379 6.305 3.236 1.00 1.52 O ATOM 74 CB LYS A 6 -16.840 7.793 4.957 1.00 1.55 C ATOM 75 CG LYS A 6 -15.853 8.897 5.337 1.00 2.68 C ATOM 76 CD LYS A 6 -16.103 9.331 6.784 1.00 3.55 C ATOM 77 CE LYS A 6 -15.258 8.475 7.731 1.00 4.70 C ATOM 78 NZ LYS A 6 -15.429 8.966 9.128 1.00 5.87 N ATOM 0 H LYS A 6 -18.966 6.804 3.841 1.00 0.43 H new ATOM 0 HA LYS A 6 -16.965 8.892 3.105 1.00 0.70 H new ATOM 0 HB2 LYS A 6 -17.752 7.889 5.546 1.00 1.55 H new ATOM 0 HB3 LYS A 6 -16.414 6.816 5.187 1.00 1.55 H new ATOM 0 HG2 LYS A 6 -14.830 8.539 5.225 1.00 2.68 H new ATOM 0 HG3 LYS A 6 -15.967 9.748 4.666 1.00 2.68 H new ATOM 0 HD2 LYS A 6 -15.851 10.384 6.907 1.00 3.55 H new ATOM 0 HD3 LYS A 6 -17.160 9.226 7.028 1.00 3.55 H new ATOM 0 HE2 LYS A 6 -15.560 7.430 7.662 1.00 4.70 H new ATOM 0 HE3 LYS A 6 -14.208 8.523 7.443 1.00 4.70 H new ATOM 0 HZ1 LYS A 6 -14.855 8.385 9.773 1.00 5.87 H new ATOM 0 HZ2 LYS A 6 -15.120 9.957 9.188 1.00 5.87 H new ATOM 0 HZ3 LYS A 6 -16.431 8.898 9.400 1.00 5.87 H new ATOM 92 N CYS A 7 -16.589 6.672 1.442 1.00 0.69 N ATOM 93 CA CYS A 7 -15.779 5.701 0.645 1.00 1.13 C ATOM 94 C CYS A 7 -15.143 6.400 -0.562 1.00 1.33 C ATOM 95 O CYS A 7 -14.092 6.011 -1.027 1.00 1.71 O ATOM 96 CB CYS A 7 -16.679 4.565 0.156 1.00 1.26 C ATOM 97 SG CYS A 7 -18.050 5.249 -0.808 1.00 1.61 S ATOM 0 H CYS A 7 -17.347 7.127 0.934 1.00 0.69 H new ATOM 0 HA CYS A 7 -14.988 5.300 1.279 1.00 1.13 H new ATOM 0 HB2 CYS A 7 -16.104 3.869 -0.454 1.00 1.26 H new ATOM 0 HB3 CYS A 7 -17.064 4.001 1.006 1.00 1.26 H new ATOM 102 N ASP A 8 -15.768 7.418 -1.083 1.00 1.20 N ATOM 103 CA ASP A 8 -15.183 8.119 -2.262 1.00 1.50 C ATOM 104 C ASP A 8 -14.266 9.268 -1.810 1.00 0.99 C ATOM 105 O ASP A 8 -13.664 9.937 -2.623 1.00 0.37 O ATOM 106 CB ASP A 8 -16.311 8.684 -3.126 1.00 2.02 C ATOM 107 CG ASP A 8 -16.025 8.384 -4.598 1.00 2.99 C ATOM 108 OD1 ASP A 8 -14.938 8.706 -5.047 1.00 3.53 O ATOM 109 OD2 ASP A 8 -16.897 7.834 -5.251 1.00 3.55 O ATOM 0 H ASP A 8 -16.654 7.794 -0.746 1.00 1.20 H new ATOM 0 HA ASP A 8 -14.593 7.405 -2.836 1.00 1.50 H new ATOM 0 HB2 ASP A 8 -17.264 8.243 -2.833 1.00 2.02 H new ATOM 0 HB3 ASP A 8 -16.397 9.760 -2.973 1.00 2.02 H new ATOM 114 N ILE A 9 -14.163 9.522 -0.531 1.00 1.37 N ATOM 115 CA ILE A 9 -13.290 10.638 -0.075 1.00 1.16 C ATOM 116 C ILE A 9 -11.883 10.129 0.268 1.00 0.89 C ATOM 117 O ILE A 9 -10.933 10.351 -0.459 1.00 0.67 O ATOM 118 CB ILE A 9 -13.910 11.300 1.155 1.00 1.74 C ATOM 119 CG1 ILE A 9 -15.263 11.898 0.772 1.00 2.07 C ATOM 120 CG2 ILE A 9 -12.988 12.413 1.652 1.00 1.49 C ATOM 121 CD1 ILE A 9 -16.009 12.324 2.036 1.00 2.90 C ATOM 0 H ILE A 9 -14.642 9.009 0.209 1.00 1.37 H new ATOM 0 HA ILE A 9 -13.205 11.364 -0.884 1.00 1.16 H new ATOM 0 HB ILE A 9 -14.043 10.559 1.943 1.00 1.74 H new ATOM 0 HG12 ILE A 9 -15.120 12.756 0.115 1.00 2.07 H new ATOM 0 HG13 ILE A 9 -15.852 11.167 0.218 1.00 2.07 H new ATOM 0 HG21 ILE A 9 -13.429 12.886 2.529 1.00 1.49 H new ATOM 0 HG22 ILE A 9 -12.018 11.991 1.916 1.00 1.49 H new ATOM 0 HG23 ILE A 9 -12.858 13.156 0.865 1.00 1.49 H new ATOM 0 HD11 ILE A 9 -16.974 12.751 1.763 1.00 2.90 H new ATOM 0 HD12 ILE A 9 -16.164 11.456 2.677 1.00 2.90 H new ATOM 0 HD13 ILE A 9 -15.421 13.070 2.571 1.00 2.90 H new ATOM 133 N THR A 10 -11.740 9.480 1.393 1.00 0.96 N ATOM 134 CA THR A 10 -10.397 8.990 1.817 1.00 0.84 C ATOM 135 C THR A 10 -9.903 7.866 0.905 1.00 0.89 C ATOM 136 O THR A 10 -8.723 7.753 0.642 1.00 0.85 O ATOM 137 CB THR A 10 -10.481 8.465 3.251 1.00 1.05 C ATOM 138 OG1 THR A 10 -11.161 9.412 4.062 1.00 0.89 O ATOM 139 CG2 THR A 10 -9.071 8.237 3.798 1.00 1.13 C ATOM 0 H THR A 10 -12.500 9.267 2.039 1.00 0.96 H new ATOM 0 HA THR A 10 -9.695 9.822 1.754 1.00 0.84 H new ATOM 0 HB THR A 10 -11.027 7.521 3.261 1.00 1.05 H new ATOM 0 HG1 THR A 10 -11.217 9.076 4.981 1.00 0.89 H new ATOM 0 HG21 THR A 10 -9.133 7.863 4.820 1.00 1.13 H new ATOM 0 HG22 THR A 10 -8.553 7.508 3.176 1.00 1.13 H new ATOM 0 HG23 THR A 10 -8.521 9.178 3.789 1.00 1.13 H new ATOM 147 N LEU A 11 -10.775 7.018 0.439 1.00 0.99 N ATOM 148 CA LEU A 11 -10.313 5.898 -0.428 1.00 1.06 C ATOM 149 C LEU A 11 -9.888 6.426 -1.799 1.00 0.99 C ATOM 150 O LEU A 11 -8.834 6.089 -2.290 1.00 1.00 O ATOM 151 CB LEU A 11 -11.428 4.864 -0.587 1.00 1.24 C ATOM 152 CG LEU A 11 -10.949 3.525 -0.024 1.00 1.39 C ATOM 153 CD1 LEU A 11 -11.386 3.406 1.435 1.00 1.24 C ATOM 154 CD2 LEU A 11 -11.555 2.377 -0.832 1.00 1.64 C ATOM 0 H LEU A 11 -11.779 7.050 0.618 1.00 0.99 H new ATOM 0 HA LEU A 11 -9.453 5.423 0.044 1.00 1.06 H new ATOM 0 HB2 LEU A 11 -12.325 5.194 -0.063 1.00 1.24 H new ATOM 0 HB3 LEU A 11 -11.695 4.757 -1.638 1.00 1.24 H new ATOM 0 HG LEU A 11 -9.862 3.474 -0.088 1.00 1.39 H new ATOM 0 HD11 LEU A 11 -11.046 2.453 1.840 1.00 1.24 H new ATOM 0 HD12 LEU A 11 -10.951 4.221 2.013 1.00 1.24 H new ATOM 0 HD13 LEU A 11 -12.473 3.459 1.495 1.00 1.24 H new ATOM 0 HD21 LEU A 11 -11.211 1.425 -0.427 1.00 1.64 H new ATOM 0 HD22 LEU A 11 -12.642 2.424 -0.773 1.00 1.64 H new ATOM 0 HD23 LEU A 11 -11.245 2.462 -1.873 1.00 1.64 H new ATOM 166 N GLN A 12 -10.689 7.247 -2.426 1.00 1.05 N ATOM 167 CA GLN A 12 -10.301 7.778 -3.767 1.00 1.04 C ATOM 168 C GLN A 12 -8.943 8.483 -3.663 1.00 0.82 C ATOM 169 O GLN A 12 -8.089 8.341 -4.521 1.00 0.69 O ATOM 170 CB GLN A 12 -11.384 8.747 -4.274 1.00 1.20 C ATOM 171 CG GLN A 12 -10.924 10.202 -4.127 1.00 0.79 C ATOM 172 CD GLN A 12 -12.061 11.144 -4.529 1.00 0.82 C ATOM 173 OE1 GLN A 12 -12.523 11.933 -3.729 1.00 1.91 O ATOM 174 NE2 GLN A 12 -12.537 11.097 -5.743 1.00 0.85 N ATOM 0 H GLN A 12 -11.589 7.571 -2.071 1.00 1.05 H new ATOM 0 HA GLN A 12 -10.214 6.957 -4.479 1.00 1.04 H new ATOM 0 HB2 GLN A 12 -11.607 8.535 -5.320 1.00 1.20 H new ATOM 0 HB3 GLN A 12 -12.306 8.594 -3.714 1.00 1.20 H new ATOM 0 HG2 GLN A 12 -10.624 10.397 -3.097 1.00 0.79 H new ATOM 0 HG3 GLN A 12 -10.050 10.383 -4.753 1.00 0.79 H new ATOM 0 HE21 GLN A 12 -12.151 10.436 -6.417 1.00 0.85 H new ATOM 0 HE22 GLN A 12 -13.295 11.722 -6.018 1.00 0.85 H new ATOM 183 N GLU A 13 -8.727 9.226 -2.611 1.00 0.77 N ATOM 184 CA GLU A 13 -7.419 9.919 -2.449 1.00 0.57 C ATOM 185 C GLU A 13 -6.333 8.864 -2.231 1.00 0.47 C ATOM 186 O GLU A 13 -5.203 9.020 -2.647 1.00 0.33 O ATOM 187 CB GLU A 13 -7.483 10.855 -1.236 1.00 0.56 C ATOM 188 CG GLU A 13 -7.073 12.276 -1.643 1.00 0.32 C ATOM 189 CD GLU A 13 -5.872 12.720 -0.806 1.00 1.15 C ATOM 190 OE1 GLU A 13 -5.828 12.374 0.363 1.00 1.91 O ATOM 191 OE2 GLU A 13 -5.016 13.400 -1.349 1.00 1.88 O ATOM 0 H GLU A 13 -9.399 9.382 -1.859 1.00 0.77 H new ATOM 0 HA GLU A 13 -7.192 10.507 -3.339 1.00 0.57 H new ATOM 0 HB2 GLU A 13 -8.493 10.863 -0.826 1.00 0.56 H new ATOM 0 HB3 GLU A 13 -6.823 10.489 -0.450 1.00 0.56 H new ATOM 0 HG2 GLU A 13 -6.821 12.304 -2.703 1.00 0.32 H new ATOM 0 HG3 GLU A 13 -7.906 12.963 -1.495 1.00 0.32 H new ATOM 198 N ILE A 14 -6.680 7.780 -1.592 1.00 0.59 N ATOM 199 CA ILE A 14 -5.688 6.694 -1.354 1.00 0.61 C ATOM 200 C ILE A 14 -5.413 5.954 -2.671 1.00 0.60 C ATOM 201 O ILE A 14 -4.422 5.266 -2.807 1.00 0.62 O ATOM 202 CB ILE A 14 -6.256 5.711 -0.317 1.00 0.82 C ATOM 203 CG1 ILE A 14 -5.384 5.727 0.946 1.00 1.08 C ATOM 204 CG2 ILE A 14 -6.275 4.291 -0.894 1.00 0.75 C ATOM 205 CD1 ILE A 14 -6.174 6.330 2.109 1.00 1.34 C ATOM 0 H ILE A 14 -7.613 7.599 -1.223 1.00 0.59 H new ATOM 0 HA ILE A 14 -4.757 7.121 -0.981 1.00 0.61 H new ATOM 0 HB ILE A 14 -7.272 6.015 -0.067 1.00 0.82 H new ATOM 0 HG12 ILE A 14 -5.068 4.714 1.195 1.00 1.08 H new ATOM 0 HG13 ILE A 14 -4.479 6.308 0.768 1.00 1.08 H new ATOM 0 HG21 ILE A 14 -6.679 3.602 -0.152 1.00 0.75 H new ATOM 0 HG22 ILE A 14 -6.900 4.269 -1.787 1.00 0.75 H new ATOM 0 HG23 ILE A 14 -5.260 3.990 -1.154 1.00 0.75 H new ATOM 0 HD11 ILE A 14 -5.553 6.340 3.004 1.00 1.34 H new ATOM 0 HD12 ILE A 14 -6.468 7.350 1.859 1.00 1.34 H new ATOM 0 HD13 ILE A 14 -7.066 5.730 2.293 1.00 1.34 H new ATOM 217 N ILE A 15 -6.287 6.078 -3.635 1.00 0.57 N ATOM 218 CA ILE A 15 -6.085 5.377 -4.932 1.00 0.57 C ATOM 219 C ILE A 15 -5.034 6.126 -5.750 1.00 0.55 C ATOM 220 O ILE A 15 -4.123 5.536 -6.297 1.00 0.55 O ATOM 221 CB ILE A 15 -7.419 5.341 -5.684 1.00 0.62 C ATOM 222 CG1 ILE A 15 -8.381 4.416 -4.938 1.00 0.64 C ATOM 223 CG2 ILE A 15 -7.212 4.818 -7.107 1.00 1.15 C ATOM 224 CD1 ILE A 15 -9.803 4.635 -5.444 1.00 0.25 C ATOM 0 H ILE A 15 -7.137 6.639 -3.577 1.00 0.57 H new ATOM 0 HA ILE A 15 -5.738 4.357 -4.764 1.00 0.57 H new ATOM 0 HB ILE A 15 -7.831 6.349 -5.737 1.00 0.62 H new ATOM 0 HG12 ILE A 15 -8.089 3.376 -5.085 1.00 0.64 H new ATOM 0 HG13 ILE A 15 -8.332 4.612 -3.867 1.00 0.64 H new ATOM 0 HG21 ILE A 15 -8.168 4.798 -7.630 1.00 1.15 H new ATOM 0 HG22 ILE A 15 -6.522 5.473 -7.639 1.00 1.15 H new ATOM 0 HG23 ILE A 15 -6.799 3.810 -7.068 1.00 1.15 H new ATOM 0 HD11 ILE A 15 -10.485 3.974 -4.910 1.00 0.25 H new ATOM 0 HD12 ILE A 15 -10.094 5.671 -5.274 1.00 0.25 H new ATOM 0 HD13 ILE A 15 -9.847 4.416 -6.511 1.00 0.25 H new ATOM 236 N LYS A 16 -5.143 7.424 -5.827 1.00 0.54 N ATOM 237 CA LYS A 16 -4.135 8.202 -6.600 1.00 0.58 C ATOM 238 C LYS A 16 -2.779 8.086 -5.904 1.00 0.42 C ATOM 239 O LYS A 16 -1.763 7.848 -6.526 1.00 0.45 O ATOM 240 CB LYS A 16 -4.557 9.671 -6.657 1.00 0.69 C ATOM 241 CG LYS A 16 -4.811 10.069 -8.109 1.00 1.10 C ATOM 242 CD LYS A 16 -6.044 10.971 -8.179 1.00 1.13 C ATOM 243 CE LYS A 16 -7.307 10.131 -7.985 1.00 2.44 C ATOM 244 NZ LYS A 16 -7.803 9.665 -9.312 1.00 3.98 N ATOM 0 H LYS A 16 -5.881 7.976 -5.391 1.00 0.54 H new ATOM 0 HA LYS A 16 -4.064 7.810 -7.614 1.00 0.58 H new ATOM 0 HB2 LYS A 16 -5.458 9.825 -6.063 1.00 0.69 H new ATOM 0 HB3 LYS A 16 -3.779 10.301 -6.226 1.00 0.69 H new ATOM 0 HG2 LYS A 16 -3.942 10.589 -8.512 1.00 1.10 H new ATOM 0 HG3 LYS A 16 -4.962 9.179 -8.721 1.00 1.10 H new ATOM 0 HD2 LYS A 16 -5.987 11.742 -7.411 1.00 1.13 H new ATOM 0 HD3 LYS A 16 -6.079 11.482 -9.141 1.00 1.13 H new ATOM 0 HE2 LYS A 16 -7.093 9.276 -7.344 1.00 2.44 H new ATOM 0 HE3 LYS A 16 -8.075 10.720 -7.484 1.00 2.44 H new ATOM 0 HZ1 LYS A 16 -8.662 9.094 -9.180 1.00 3.98 H new ATOM 0 HZ2 LYS A 16 -8.022 10.488 -9.909 1.00 3.98 H new ATOM 0 HZ3 LYS A 16 -7.071 9.088 -9.773 1.00 3.98 H new ATOM 258 N THR A 17 -2.764 8.244 -4.612 1.00 0.29 N ATOM 259 CA THR A 17 -1.488 8.138 -3.851 1.00 0.26 C ATOM 260 C THR A 17 -0.887 6.745 -4.065 1.00 0.28 C ATOM 261 O THR A 17 0.316 6.578 -4.183 1.00 0.34 O ATOM 262 CB THR A 17 -1.787 8.352 -2.366 1.00 0.34 C ATOM 263 OG1 THR A 17 -2.722 9.413 -2.225 1.00 0.43 O ATOM 264 CG2 THR A 17 -0.500 8.704 -1.621 1.00 0.54 C ATOM 0 H THR A 17 -3.588 8.444 -4.045 1.00 0.29 H new ATOM 0 HA THR A 17 -0.778 8.890 -4.196 1.00 0.26 H new ATOM 0 HB THR A 17 -2.203 7.436 -1.946 1.00 0.34 H new ATOM 0 HG1 THR A 17 -3.622 9.043 -2.108 1.00 0.43 H new ATOM 0 HG21 THR A 17 -0.721 8.855 -0.564 1.00 0.54 H new ATOM 0 HG22 THR A 17 0.217 7.890 -1.729 1.00 0.54 H new ATOM 0 HG23 THR A 17 -0.077 9.618 -2.037 1.00 0.54 H new ATOM 272 N LEU A 18 -1.718 5.745 -4.126 1.00 0.33 N ATOM 273 CA LEU A 18 -1.213 4.362 -4.342 1.00 0.47 C ATOM 274 C LEU A 18 -0.446 4.328 -5.666 1.00 0.46 C ATOM 275 O LEU A 18 0.605 3.731 -5.776 1.00 0.52 O ATOM 276 CB LEU A 18 -2.416 3.403 -4.386 1.00 0.58 C ATOM 277 CG LEU A 18 -1.979 1.947 -4.619 1.00 0.63 C ATOM 278 CD1 LEU A 18 -1.768 1.699 -6.113 1.00 1.28 C ATOM 279 CD2 LEU A 18 -0.684 1.647 -3.860 1.00 1.43 C ATOM 0 H LEU A 18 -2.731 5.826 -4.035 1.00 0.33 H new ATOM 0 HA LEU A 18 -0.546 4.056 -3.536 1.00 0.47 H new ATOM 0 HB2 LEU A 18 -2.969 3.471 -3.449 1.00 0.58 H new ATOM 0 HB3 LEU A 18 -3.096 3.710 -5.181 1.00 0.58 H new ATOM 0 HG LEU A 18 -2.764 1.287 -4.249 1.00 0.63 H new ATOM 0 HD11 LEU A 18 -1.459 0.666 -6.270 1.00 1.28 H new ATOM 0 HD12 LEU A 18 -2.700 1.884 -6.648 1.00 1.28 H new ATOM 0 HD13 LEU A 18 -0.995 2.370 -6.488 1.00 1.28 H new ATOM 0 HD21 LEU A 18 -0.390 0.612 -4.037 1.00 1.43 H new ATOM 0 HD22 LEU A 18 0.105 2.313 -4.209 1.00 1.43 H new ATOM 0 HD23 LEU A 18 -0.844 1.802 -2.793 1.00 1.43 H new ATOM 291 N ASN A 19 -0.964 4.981 -6.673 1.00 0.40 N ATOM 292 CA ASN A 19 -0.266 5.001 -7.991 1.00 0.41 C ATOM 293 C ASN A 19 1.051 5.774 -7.866 1.00 0.36 C ATOM 294 O ASN A 19 1.996 5.526 -8.588 1.00 0.36 O ATOM 295 CB ASN A 19 -1.157 5.683 -9.032 1.00 0.41 C ATOM 296 CG ASN A 19 -0.296 6.176 -10.198 1.00 1.29 C ATOM 297 OD1 ASN A 19 0.150 5.393 -11.012 1.00 1.56 O ATOM 298 ND2 ASN A 19 -0.041 7.451 -10.315 1.00 2.39 N ATOM 0 H ASN A 19 -1.841 5.501 -6.639 1.00 0.40 H new ATOM 0 HA ASN A 19 -0.058 3.977 -8.303 1.00 0.41 H new ATOM 0 HB2 ASN A 19 -1.912 4.985 -9.393 1.00 0.41 H new ATOM 0 HB3 ASN A 19 -1.688 6.520 -8.579 1.00 0.41 H new ATOM 0 HD21 ASN A 19 0.532 7.788 -11.089 1.00 2.39 H new ATOM 0 HD22 ASN A 19 -0.415 8.111 -9.632 1.00 2.39 H new ATOM 305 N SER A 20 1.116 6.712 -6.960 1.00 0.32 N ATOM 306 CA SER A 20 2.369 7.504 -6.789 1.00 0.29 C ATOM 307 C SER A 20 3.494 6.595 -6.295 1.00 0.34 C ATOM 308 O SER A 20 4.645 6.791 -6.629 1.00 0.37 O ATOM 309 CB SER A 20 2.132 8.621 -5.776 1.00 0.25 C ATOM 310 OG SER A 20 3.314 9.395 -5.656 1.00 1.46 O ATOM 0 H SER A 20 0.355 6.965 -6.330 1.00 0.32 H new ATOM 0 HA SER A 20 2.654 7.937 -7.748 1.00 0.29 H new ATOM 0 HB2 SER A 20 1.301 9.250 -6.097 1.00 0.25 H new ATOM 0 HB3 SER A 20 1.858 8.200 -4.809 1.00 0.25 H new ATOM 0 HG SER A 20 3.431 9.671 -4.723 1.00 1.46 H new ATOM 316 N LEU A 21 3.183 5.602 -5.505 1.00 0.37 N ATOM 317 CA LEU A 21 4.261 4.692 -5.012 1.00 0.43 C ATOM 318 C LEU A 21 4.809 3.860 -6.183 1.00 0.55 C ATOM 319 O LEU A 21 5.906 3.345 -6.123 1.00 0.64 O ATOM 320 CB LEU A 21 3.708 3.762 -3.929 1.00 0.46 C ATOM 321 CG LEU A 21 3.407 4.577 -2.672 1.00 0.19 C ATOM 322 CD1 LEU A 21 2.039 4.177 -2.116 1.00 0.35 C ATOM 323 CD2 LEU A 21 4.485 4.301 -1.620 1.00 0.43 C ATOM 0 H LEU A 21 2.241 5.382 -5.182 1.00 0.37 H new ATOM 0 HA LEU A 21 5.066 5.291 -4.586 1.00 0.43 H new ATOM 0 HB2 LEU A 21 2.802 3.270 -4.283 1.00 0.46 H new ATOM 0 HB3 LEU A 21 4.430 2.977 -3.704 1.00 0.46 H new ATOM 0 HG LEU A 21 3.400 5.638 -2.920 1.00 0.19 H new ATOM 0 HD11 LEU A 21 1.826 4.759 -1.220 1.00 0.35 H new ATOM 0 HD12 LEU A 21 1.271 4.370 -2.865 1.00 0.35 H new ATOM 0 HD13 LEU A 21 2.044 3.116 -1.867 1.00 0.35 H new ATOM 0 HD21 LEU A 21 4.274 4.881 -0.722 1.00 0.43 H new ATOM 0 HD22 LEU A 21 4.490 3.239 -1.374 1.00 0.43 H new ATOM 0 HD23 LEU A 21 5.460 4.586 -2.015 1.00 0.43 H new ATOM 335 N THR A 22 4.063 3.731 -7.250 1.00 0.56 N ATOM 336 CA THR A 22 4.554 2.942 -8.419 1.00 0.69 C ATOM 337 C THR A 22 5.791 3.619 -9.040 1.00 0.89 C ATOM 338 O THR A 22 6.493 3.026 -9.835 1.00 1.11 O ATOM 339 CB THR A 22 3.443 2.861 -9.470 1.00 0.93 C ATOM 340 OG1 THR A 22 2.190 2.696 -8.821 1.00 0.49 O ATOM 341 CG2 THR A 22 3.700 1.673 -10.399 1.00 1.37 C ATOM 0 H THR A 22 3.135 4.138 -7.362 1.00 0.56 H new ATOM 0 HA THR A 22 4.829 1.942 -8.084 1.00 0.69 H new ATOM 0 HB THR A 22 3.430 3.780 -10.056 1.00 0.93 H new ATOM 0 HG1 THR A 22 1.585 2.189 -9.402 1.00 0.49 H new ATOM 0 HG21 THR A 22 2.908 1.617 -11.146 1.00 1.37 H new ATOM 0 HG22 THR A 22 4.661 1.802 -10.897 1.00 1.37 H new ATOM 0 HG23 THR A 22 3.714 0.752 -9.816 1.00 1.37 H new ATOM 349 N GLU A 23 6.059 4.854 -8.696 1.00 0.85 N ATOM 350 CA GLU A 23 7.241 5.555 -9.274 1.00 1.12 C ATOM 351 C GLU A 23 8.505 4.722 -9.036 1.00 1.07 C ATOM 352 O GLU A 23 9.297 4.512 -9.934 1.00 1.11 O ATOM 353 CB GLU A 23 7.378 6.930 -8.609 1.00 1.27 C ATOM 354 CG GLU A 23 8.555 7.698 -9.221 1.00 2.03 C ATOM 355 CD GLU A 23 8.042 8.639 -10.313 1.00 1.43 C ATOM 356 OE1 GLU A 23 6.936 8.424 -10.781 1.00 0.70 O ATOM 357 OE2 GLU A 23 8.765 9.556 -10.664 1.00 2.26 O ATOM 0 H GLU A 23 5.508 5.406 -8.039 1.00 0.85 H new ATOM 0 HA GLU A 23 7.108 5.684 -10.348 1.00 1.12 H new ATOM 0 HB2 GLU A 23 6.457 7.498 -8.738 1.00 1.27 H new ATOM 0 HB3 GLU A 23 7.531 6.810 -7.536 1.00 1.27 H new ATOM 0 HG2 GLU A 23 9.071 8.268 -8.449 1.00 2.03 H new ATOM 0 HG3 GLU A 23 9.280 7.000 -9.640 1.00 2.03 H new ATOM 364 N GLN A 24 8.701 4.240 -7.840 1.00 1.02 N ATOM 365 CA GLN A 24 9.912 3.416 -7.553 1.00 1.02 C ATOM 366 C GLN A 24 9.481 2.048 -7.018 1.00 1.04 C ATOM 367 O GLN A 24 9.722 1.704 -5.878 1.00 1.10 O ATOM 368 CB GLN A 24 10.786 4.129 -6.517 1.00 1.09 C ATOM 369 CG GLN A 24 12.262 3.953 -6.884 1.00 1.41 C ATOM 370 CD GLN A 24 13.133 4.722 -5.887 1.00 1.90 C ATOM 371 OE1 GLN A 24 14.001 5.478 -6.276 1.00 2.22 O ATOM 372 NE2 GLN A 24 12.936 4.560 -4.607 1.00 2.71 N ATOM 0 H GLN A 24 8.075 4.381 -7.047 1.00 1.02 H new ATOM 0 HA GLN A 24 10.486 3.280 -8.469 1.00 1.02 H new ATOM 0 HB2 GLN A 24 10.534 5.189 -6.480 1.00 1.09 H new ATOM 0 HB3 GLN A 24 10.596 3.722 -5.524 1.00 1.09 H new ATOM 0 HG2 GLN A 24 12.526 2.896 -6.874 1.00 1.41 H new ATOM 0 HG3 GLN A 24 12.442 4.317 -7.896 1.00 1.41 H new ATOM 0 HE21 GLN A 24 12.208 3.926 -4.279 1.00 2.71 H new ATOM 0 HE22 GLN A 24 13.510 5.068 -3.934 1.00 2.71 H new ATOM 381 N LYS A 25 8.845 1.267 -7.843 1.00 1.02 N ATOM 382 CA LYS A 25 8.391 -0.082 -7.404 1.00 1.09 C ATOM 383 C LYS A 25 9.139 -1.153 -8.208 1.00 1.04 C ATOM 384 O LYS A 25 8.549 -2.004 -8.843 1.00 1.16 O ATOM 385 CB LYS A 25 6.880 -0.203 -7.635 1.00 1.14 C ATOM 386 CG LYS A 25 6.178 -0.490 -6.306 1.00 2.76 C ATOM 387 CD LYS A 25 6.301 0.725 -5.385 1.00 4.06 C ATOM 388 CE LYS A 25 6.794 0.277 -4.008 1.00 5.55 C ATOM 389 NZ LYS A 25 7.329 1.454 -3.270 1.00 6.85 N ATOM 0 H LYS A 25 8.618 1.506 -8.808 1.00 1.02 H new ATOM 0 HA LYS A 25 8.602 -0.223 -6.344 1.00 1.09 H new ATOM 0 HB2 LYS A 25 6.494 0.719 -8.070 1.00 1.14 H new ATOM 0 HB3 LYS A 25 6.674 -1.002 -8.347 1.00 1.14 H new ATOM 0 HG2 LYS A 25 5.127 -0.721 -6.481 1.00 2.76 H new ATOM 0 HG3 LYS A 25 6.622 -1.365 -5.831 1.00 2.76 H new ATOM 0 HD2 LYS A 25 6.994 1.449 -5.813 1.00 4.06 H new ATOM 0 HD3 LYS A 25 5.336 1.223 -5.293 1.00 4.06 H new ATOM 0 HE2 LYS A 25 5.978 -0.178 -3.447 1.00 5.55 H new ATOM 0 HE3 LYS A 25 7.569 -0.482 -4.116 1.00 5.55 H new ATOM 0 HZ1 LYS A 25 7.571 1.174 -2.298 1.00 6.85 H new ATOM 0 HZ2 LYS A 25 8.181 1.807 -3.751 1.00 6.85 H new ATOM 0 HZ3 LYS A 25 6.609 2.204 -3.245 1.00 6.85 H new ATOM 403 N THR A 26 10.443 -1.119 -8.180 1.00 0.90 N ATOM 404 CA THR A 26 11.229 -2.133 -8.937 1.00 0.87 C ATOM 405 C THR A 26 12.468 -2.524 -8.131 1.00 0.93 C ATOM 406 O THR A 26 12.735 -3.689 -7.911 1.00 0.95 O ATOM 407 CB THR A 26 11.660 -1.541 -10.281 1.00 0.86 C ATOM 408 OG1 THR A 26 10.539 -0.932 -10.906 1.00 0.88 O ATOM 409 CG2 THR A 26 12.209 -2.650 -11.180 1.00 1.55 C ATOM 0 H THR A 26 10.997 -0.434 -7.666 1.00 0.90 H new ATOM 0 HA THR A 26 10.615 -3.017 -9.108 1.00 0.87 H new ATOM 0 HB THR A 26 12.437 -0.795 -10.118 1.00 0.86 H new ATOM 0 HG1 THR A 26 10.812 -0.550 -11.766 1.00 0.88 H new ATOM 0 HG21 THR A 26 12.515 -2.225 -12.136 1.00 1.55 H new ATOM 0 HG22 THR A 26 13.068 -3.117 -10.699 1.00 1.55 H new ATOM 0 HG23 THR A 26 11.435 -3.400 -11.347 1.00 1.55 H new ATOM 417 N LEU A 27 13.228 -1.561 -7.688 1.00 0.97 N ATOM 418 CA LEU A 27 14.449 -1.881 -6.896 1.00 1.05 C ATOM 419 C LEU A 27 14.042 -2.296 -5.482 1.00 1.11 C ATOM 420 O LEU A 27 14.503 -3.291 -4.959 1.00 1.12 O ATOM 421 CB LEU A 27 15.356 -0.650 -6.835 1.00 1.20 C ATOM 422 CG LEU A 27 16.711 -0.986 -7.465 1.00 0.87 C ATOM 423 CD1 LEU A 27 16.526 -1.275 -8.955 1.00 1.15 C ATOM 424 CD2 LEU A 27 17.664 0.200 -7.295 1.00 0.70 C ATOM 0 H LEU A 27 13.057 -0.567 -7.840 1.00 0.97 H new ATOM 0 HA LEU A 27 14.989 -2.700 -7.371 1.00 1.05 H new ATOM 0 HB2 LEU A 27 14.893 0.183 -7.364 1.00 1.20 H new ATOM 0 HB3 LEU A 27 15.491 -0.335 -5.800 1.00 1.20 H new ATOM 0 HG LEU A 27 17.129 -1.864 -6.972 1.00 0.87 H new ATOM 0 HD11 LEU A 27 17.491 -1.514 -9.402 1.00 1.15 H new ATOM 0 HD12 LEU A 27 15.849 -2.120 -9.080 1.00 1.15 H new ATOM 0 HD13 LEU A 27 16.106 -0.397 -9.446 1.00 1.15 H new ATOM 0 HD21 LEU A 27 18.628 -0.040 -7.744 1.00 0.70 H new ATOM 0 HD22 LEU A 27 17.244 1.078 -7.786 1.00 0.70 H new ATOM 0 HD23 LEU A 27 17.800 0.408 -6.234 1.00 0.70 H new ATOM 436 N CYS A 28 13.173 -1.547 -4.863 1.00 1.16 N ATOM 437 CA CYS A 28 12.726 -1.902 -3.485 1.00 1.21 C ATOM 438 C CYS A 28 11.799 -3.117 -3.545 1.00 1.17 C ATOM 439 O CYS A 28 11.673 -3.860 -2.592 1.00 1.31 O ATOM 440 CB CYS A 28 11.975 -0.721 -2.871 1.00 1.29 C ATOM 441 SG CYS A 28 13.139 0.625 -2.546 1.00 0.38 S ATOM 0 H CYS A 28 12.752 -0.703 -5.251 1.00 1.16 H new ATOM 0 HA CYS A 28 13.596 -2.138 -2.873 1.00 1.21 H new ATOM 0 HB2 CYS A 28 11.190 -0.383 -3.548 1.00 1.29 H new ATOM 0 HB3 CYS A 28 11.488 -1.027 -1.945 1.00 1.29 H new ATOM 446 N THR A 29 11.152 -3.333 -4.658 1.00 1.02 N ATOM 447 CA THR A 29 10.245 -4.506 -4.773 1.00 0.98 C ATOM 448 C THR A 29 11.077 -5.792 -4.891 1.00 1.01 C ATOM 449 O THR A 29 10.566 -6.884 -4.738 1.00 1.25 O ATOM 450 CB THR A 29 9.358 -4.335 -6.010 1.00 0.96 C ATOM 451 OG1 THR A 29 10.177 -4.190 -7.162 1.00 1.07 O ATOM 452 CG2 THR A 29 8.493 -3.085 -5.835 1.00 0.90 C ATOM 0 H THR A 29 11.213 -2.747 -5.491 1.00 1.02 H new ATOM 0 HA THR A 29 9.616 -4.576 -3.886 1.00 0.98 H new ATOM 0 HB THR A 29 8.719 -5.210 -6.130 1.00 0.96 H new ATOM 0 HG1 THR A 29 10.359 -5.073 -7.547 1.00 1.07 H new ATOM 0 HG21 THR A 29 7.858 -2.956 -6.712 1.00 0.90 H new ATOM 0 HG22 THR A 29 7.869 -3.196 -4.948 1.00 0.90 H new ATOM 0 HG23 THR A 29 9.135 -2.212 -5.720 1.00 0.90 H new ATOM 460 N GLU A 30 12.357 -5.677 -5.153 1.00 0.81 N ATOM 461 CA GLU A 30 13.209 -6.895 -5.270 1.00 0.85 C ATOM 462 C GLU A 30 13.131 -7.713 -3.981 1.00 0.83 C ATOM 463 O GLU A 30 13.406 -8.897 -3.981 1.00 1.34 O ATOM 464 CB GLU A 30 14.662 -6.479 -5.522 1.00 1.02 C ATOM 465 CG GLU A 30 14.925 -6.406 -7.027 1.00 1.07 C ATOM 466 CD GLU A 30 16.405 -6.101 -7.276 1.00 1.22 C ATOM 467 OE1 GLU A 30 16.748 -4.931 -7.324 1.00 1.96 O ATOM 468 OE2 GLU A 30 17.169 -7.042 -7.415 1.00 1.81 O ATOM 0 H GLU A 30 12.845 -4.792 -5.290 1.00 0.81 H new ATOM 0 HA GLU A 30 12.851 -7.502 -6.101 1.00 0.85 H new ATOM 0 HB2 GLU A 30 14.858 -5.511 -5.062 1.00 1.02 H new ATOM 0 HB3 GLU A 30 15.341 -7.195 -5.059 1.00 1.02 H new ATOM 0 HG2 GLU A 30 14.653 -7.350 -7.500 1.00 1.07 H new ATOM 0 HG3 GLU A 30 14.303 -5.633 -7.478 1.00 1.07 H new ATOM 475 N LEU A 31 12.746 -7.116 -2.884 1.00 0.88 N ATOM 476 CA LEU A 31 12.650 -7.900 -1.634 1.00 0.77 C ATOM 477 C LEU A 31 11.435 -8.830 -1.789 1.00 0.69 C ATOM 478 O LEU A 31 11.394 -9.623 -2.704 1.00 1.87 O ATOM 479 CB LEU A 31 12.498 -6.949 -0.432 1.00 0.79 C ATOM 480 CG LEU A 31 13.836 -6.268 -0.104 1.00 1.56 C ATOM 481 CD1 LEU A 31 14.901 -7.327 0.182 1.00 3.67 C ATOM 482 CD2 LEU A 31 14.286 -5.395 -1.278 1.00 0.68 C ATOM 0 H LEU A 31 12.498 -6.130 -2.806 1.00 0.88 H new ATOM 0 HA LEU A 31 13.548 -8.492 -1.453 1.00 0.77 H new ATOM 0 HB2 LEU A 31 11.744 -6.193 -0.653 1.00 0.79 H new ATOM 0 HB3 LEU A 31 12.146 -7.506 0.436 1.00 0.79 H new ATOM 0 HG LEU A 31 13.703 -5.640 0.777 1.00 1.56 H new ATOM 0 HD11 LEU A 31 15.847 -6.838 0.414 1.00 3.67 H new ATOM 0 HD12 LEU A 31 14.590 -7.936 1.031 1.00 3.67 H new ATOM 0 HD13 LEU A 31 15.026 -7.963 -0.694 1.00 3.67 H new ATOM 0 HD21 LEU A 31 15.235 -4.918 -1.034 1.00 0.68 H new ATOM 0 HD22 LEU A 31 14.410 -6.015 -2.166 1.00 0.68 H new ATOM 0 HD23 LEU A 31 13.534 -4.630 -1.471 1.00 0.68 H new ATOM 494 N THR A 32 10.438 -8.740 -0.946 1.00 0.79 N ATOM 495 CA THR A 32 9.247 -9.625 -1.114 1.00 0.63 C ATOM 496 C THR A 32 8.159 -9.223 -0.113 1.00 0.73 C ATOM 497 O THR A 32 8.387 -8.430 0.779 1.00 1.18 O ATOM 498 CB THR A 32 9.642 -11.087 -0.884 1.00 0.71 C ATOM 499 OG1 THR A 32 10.978 -11.150 -0.406 1.00 0.44 O ATOM 500 CG2 THR A 32 9.528 -11.861 -2.202 1.00 0.96 C ATOM 0 H THR A 32 10.397 -8.097 -0.155 1.00 0.79 H new ATOM 0 HA THR A 32 8.864 -9.515 -2.129 1.00 0.63 H new ATOM 0 HB THR A 32 8.975 -11.531 -0.145 1.00 0.71 H new ATOM 0 HG1 THR A 32 11.158 -12.048 -0.056 1.00 0.44 H new ATOM 0 HG21 THR A 32 9.809 -12.901 -2.038 1.00 0.96 H new ATOM 0 HG22 THR A 32 8.501 -11.815 -2.563 1.00 0.96 H new ATOM 0 HG23 THR A 32 10.193 -11.418 -2.943 1.00 0.96 H new ATOM 508 N VAL A 33 6.983 -9.780 -0.246 1.00 0.47 N ATOM 509 CA VAL A 33 5.876 -9.452 0.699 1.00 0.69 C ATOM 510 C VAL A 33 4.884 -10.624 0.718 1.00 0.62 C ATOM 511 O VAL A 33 5.181 -11.697 0.230 1.00 0.49 O ATOM 512 CB VAL A 33 5.169 -8.167 0.249 1.00 0.84 C ATOM 513 CG1 VAL A 33 6.110 -6.975 0.421 1.00 0.86 C ATOM 514 CG2 VAL A 33 4.769 -8.287 -1.221 1.00 0.75 C ATOM 0 H VAL A 33 6.741 -10.452 -0.974 1.00 0.47 H new ATOM 0 HA VAL A 33 6.276 -9.293 1.700 1.00 0.69 H new ATOM 0 HB VAL A 33 4.277 -8.018 0.858 1.00 0.84 H new ATOM 0 HG11 VAL A 33 5.605 -6.064 0.101 1.00 0.86 H new ATOM 0 HG12 VAL A 33 6.393 -6.883 1.470 1.00 0.86 H new ATOM 0 HG13 VAL A 33 7.004 -7.127 -0.184 1.00 0.86 H new ATOM 0 HG21 VAL A 33 4.267 -7.373 -1.537 1.00 0.75 H new ATOM 0 HG22 VAL A 33 5.660 -8.441 -1.829 1.00 0.75 H new ATOM 0 HG23 VAL A 33 4.094 -9.133 -1.346 1.00 0.75 H new ATOM 524 N THR A 34 3.718 -10.444 1.283 1.00 0.76 N ATOM 525 CA THR A 34 2.736 -11.568 1.334 1.00 0.72 C ATOM 526 C THR A 34 1.613 -11.341 0.314 1.00 0.76 C ATOM 527 O THR A 34 1.038 -10.274 0.236 1.00 0.95 O ATOM 528 CB THR A 34 2.142 -11.652 2.748 1.00 0.73 C ATOM 529 OG1 THR A 34 2.595 -12.844 3.377 1.00 0.70 O ATOM 530 CG2 THR A 34 0.608 -11.657 2.685 1.00 0.80 C ATOM 0 H THR A 34 3.405 -9.572 1.709 1.00 0.76 H new ATOM 0 HA THR A 34 3.245 -12.501 1.090 1.00 0.72 H new ATOM 0 HB THR A 34 2.466 -10.783 3.321 1.00 0.73 H new ATOM 0 HG1 THR A 34 2.219 -12.900 4.280 1.00 0.70 H new ATOM 0 HG21 THR A 34 0.203 -11.717 3.695 1.00 0.80 H new ATOM 0 HG22 THR A 34 0.260 -10.740 2.208 1.00 0.80 H new ATOM 0 HG23 THR A 34 0.270 -12.517 2.107 1.00 0.80 H new ATOM 538 N ASP A 35 1.284 -12.346 -0.455 1.00 0.70 N ATOM 539 CA ASP A 35 0.185 -12.194 -1.452 1.00 0.71 C ATOM 540 C ASP A 35 -1.156 -12.257 -0.720 1.00 0.66 C ATOM 541 O ASP A 35 -1.334 -13.034 0.198 1.00 0.39 O ATOM 542 CB ASP A 35 0.255 -13.331 -2.475 1.00 0.77 C ATOM 543 CG ASP A 35 -1.003 -13.310 -3.344 1.00 1.38 C ATOM 544 OD1 ASP A 35 -2.040 -13.733 -2.860 1.00 2.38 O ATOM 545 OD2 ASP A 35 -0.909 -12.872 -4.480 1.00 1.40 O ATOM 0 H ASP A 35 1.728 -13.264 -0.435 1.00 0.70 H new ATOM 0 HA ASP A 35 0.287 -11.239 -1.968 1.00 0.71 H new ATOM 0 HB2 ASP A 35 1.143 -13.220 -3.098 1.00 0.77 H new ATOM 0 HB3 ASP A 35 0.342 -14.290 -1.964 1.00 0.77 H new ATOM 550 N ILE A 36 -2.103 -11.450 -1.107 1.00 1.08 N ATOM 551 CA ILE A 36 -3.421 -11.479 -0.414 1.00 1.04 C ATOM 552 C ILE A 36 -4.567 -11.486 -1.437 1.00 1.04 C ATOM 553 O ILE A 36 -5.712 -11.269 -1.091 1.00 1.00 O ATOM 554 CB ILE A 36 -3.537 -10.255 0.500 1.00 0.91 C ATOM 555 CG1 ILE A 36 -3.918 -9.018 -0.321 1.00 0.78 C ATOM 556 CG2 ILE A 36 -2.194 -10.007 1.186 1.00 0.92 C ATOM 557 CD1 ILE A 36 -3.916 -7.786 0.585 1.00 0.73 C ATOM 0 H ILE A 36 -2.023 -10.776 -1.868 1.00 1.08 H new ATOM 0 HA ILE A 36 -3.492 -12.388 0.183 1.00 1.04 H new ATOM 0 HB ILE A 36 -4.309 -10.441 1.247 1.00 0.91 H new ATOM 0 HG12 ILE A 36 -3.213 -8.881 -1.141 1.00 0.78 H new ATOM 0 HG13 ILE A 36 -4.903 -9.153 -0.767 1.00 0.78 H new ATOM 0 HG21 ILE A 36 -2.273 -9.136 1.837 1.00 0.92 H new ATOM 0 HG22 ILE A 36 -1.922 -10.880 1.779 1.00 0.92 H new ATOM 0 HG23 ILE A 36 -1.428 -9.827 0.432 1.00 0.92 H new ATOM 0 HD11 ILE A 36 -4.187 -6.905 0.002 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -4.638 -7.925 1.390 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -2.922 -7.648 1.010 1.00 0.73 H new ATOM 569 N PHE A 37 -4.281 -11.741 -2.687 1.00 1.09 N ATOM 570 CA PHE A 37 -5.365 -11.769 -3.708 1.00 1.12 C ATOM 571 C PHE A 37 -5.519 -13.194 -4.250 1.00 1.27 C ATOM 572 O PHE A 37 -5.999 -13.396 -5.347 1.00 1.40 O ATOM 573 CB PHE A 37 -5.001 -10.838 -4.866 1.00 1.07 C ATOM 574 CG PHE A 37 -4.809 -9.427 -4.364 1.00 0.93 C ATOM 575 CD1 PHE A 37 -5.671 -8.898 -3.396 1.00 0.38 C ATOM 576 CD2 PHE A 37 -3.769 -8.644 -4.879 1.00 1.47 C ATOM 577 CE1 PHE A 37 -5.492 -7.586 -2.943 1.00 0.26 C ATOM 578 CE2 PHE A 37 -3.592 -7.331 -4.427 1.00 1.36 C ATOM 579 CZ PHE A 37 -4.453 -6.803 -3.459 1.00 0.68 C ATOM 0 H PHE A 37 -3.344 -11.931 -3.043 1.00 1.09 H new ATOM 0 HA PHE A 37 -6.298 -11.443 -3.249 1.00 1.12 H new ATOM 0 HB2 PHE A 37 -4.088 -11.187 -5.349 1.00 1.07 H new ATOM 0 HB3 PHE A 37 -5.788 -10.859 -5.620 1.00 1.07 H new ATOM 0 HD1 PHE A 37 -6.474 -9.502 -2.999 1.00 0.38 H new ATOM 0 HD2 PHE A 37 -3.103 -9.053 -5.625 1.00 1.47 H new ATOM 0 HE1 PHE A 37 -6.156 -7.178 -2.195 1.00 0.26 H new ATOM 0 HE2 PHE A 37 -2.791 -6.726 -4.825 1.00 1.36 H new ATOM 0 HZ PHE A 37 -4.316 -5.790 -3.110 1.00 0.68 H new ATOM 589 N ALA A 38 -5.109 -14.185 -3.502 1.00 1.27 N ATOM 590 CA ALA A 38 -5.227 -15.583 -3.999 1.00 1.43 C ATOM 591 C ALA A 38 -6.213 -16.372 -3.131 1.00 0.91 C ATOM 592 O ALA A 38 -7.045 -17.101 -3.632 1.00 1.23 O ATOM 593 CB ALA A 38 -3.851 -16.251 -3.957 1.00 1.79 C ATOM 0 H ALA A 38 -4.700 -14.085 -2.573 1.00 1.27 H new ATOM 0 HA ALA A 38 -5.597 -15.570 -5.024 1.00 1.43 H new ATOM 0 HB1 ALA A 38 -3.933 -17.275 -4.320 1.00 1.79 H new ATOM 0 HB2 ALA A 38 -3.158 -15.696 -4.589 1.00 1.79 H new ATOM 0 HB3 ALA A 38 -3.481 -16.258 -2.932 1.00 1.79 H new ATOM 599 N ALA A 39 -6.125 -16.240 -1.837 1.00 0.47 N ATOM 600 CA ALA A 39 -7.061 -16.993 -0.951 1.00 0.66 C ATOM 601 C ALA A 39 -7.945 -16.015 -0.175 1.00 0.85 C ATOM 602 O ALA A 39 -7.640 -15.634 0.936 1.00 1.18 O ATOM 603 CB ALA A 39 -6.259 -17.847 0.033 1.00 0.99 C ATOM 0 H ALA A 39 -5.450 -15.647 -1.355 1.00 0.47 H new ATOM 0 HA ALA A 39 -7.692 -17.637 -1.564 1.00 0.66 H new ATOM 0 HB1 ALA A 39 -6.943 -18.396 0.680 1.00 0.99 H new ATOM 0 HB2 ALA A 39 -5.637 -18.551 -0.519 1.00 0.99 H new ATOM 0 HB3 ALA A 39 -5.624 -17.202 0.641 1.00 0.99 H new ATOM 609 N SER A 40 -9.043 -15.612 -0.752 1.00 0.77 N ATOM 610 CA SER A 40 -9.953 -14.665 -0.048 1.00 0.99 C ATOM 611 C SER A 40 -11.389 -14.914 -0.512 1.00 0.58 C ATOM 612 O SER A 40 -11.674 -14.929 -1.693 1.00 0.46 O ATOM 613 CB SER A 40 -9.547 -13.226 -0.374 1.00 1.30 C ATOM 614 OG SER A 40 -9.118 -12.578 0.817 1.00 2.49 O ATOM 0 H SER A 40 -9.350 -15.898 -1.682 1.00 0.77 H new ATOM 0 HA SER A 40 -9.885 -14.820 1.029 1.00 0.99 H new ATOM 0 HB2 SER A 40 -8.746 -13.220 -1.113 1.00 1.30 H new ATOM 0 HB3 SER A 40 -10.388 -12.689 -0.811 1.00 1.30 H new ATOM 0 HG SER A 40 -8.445 -11.901 0.597 1.00 2.49 H new ATOM 620 N LYS A 41 -12.294 -15.126 0.406 1.00 0.62 N ATOM 621 CA LYS A 41 -13.707 -15.390 0.007 1.00 0.39 C ATOM 622 C LYS A 41 -14.637 -14.311 0.577 1.00 0.34 C ATOM 623 O LYS A 41 -15.726 -14.102 0.079 1.00 0.51 O ATOM 624 CB LYS A 41 -14.134 -16.758 0.541 1.00 0.83 C ATOM 625 CG LYS A 41 -14.470 -17.679 -0.633 1.00 1.19 C ATOM 626 CD LYS A 41 -14.231 -19.134 -0.224 1.00 1.10 C ATOM 627 CE LYS A 41 -12.738 -19.453 -0.309 1.00 0.96 C ATOM 628 NZ LYS A 41 -12.538 -20.649 -1.174 1.00 1.76 N ATOM 0 H LYS A 41 -12.117 -15.128 1.411 1.00 0.62 H new ATOM 0 HA LYS A 41 -13.775 -15.374 -1.081 1.00 0.39 H new ATOM 0 HB2 LYS A 41 -13.334 -17.192 1.141 1.00 0.83 H new ATOM 0 HB3 LYS A 41 -15.000 -16.652 1.194 1.00 0.83 H new ATOM 0 HG2 LYS A 41 -15.509 -17.540 -0.932 1.00 1.19 H new ATOM 0 HG3 LYS A 41 -13.853 -17.426 -1.495 1.00 1.19 H new ATOM 0 HD2 LYS A 41 -14.591 -19.301 0.791 1.00 1.10 H new ATOM 0 HD3 LYS A 41 -14.794 -19.802 -0.876 1.00 1.10 H new ATOM 0 HE2 LYS A 41 -12.195 -18.600 -0.717 1.00 0.96 H new ATOM 0 HE3 LYS A 41 -12.337 -19.639 0.687 1.00 0.96 H new ATOM 0 HZ1 LYS A 41 -11.523 -20.868 -1.234 1.00 1.76 H new ATOM 0 HZ2 LYS A 41 -13.044 -21.461 -0.766 1.00 1.76 H new ATOM 0 HZ3 LYS A 41 -12.907 -20.454 -2.127 1.00 1.76 H new ATOM 642 N ASP A 42 -14.233 -13.629 1.616 1.00 0.34 N ATOM 643 CA ASP A 42 -15.121 -12.581 2.196 1.00 0.57 C ATOM 644 C ASP A 42 -14.292 -11.375 2.646 1.00 0.55 C ATOM 645 O ASP A 42 -14.499 -10.835 3.714 1.00 0.74 O ATOM 646 CB ASP A 42 -15.869 -13.154 3.401 1.00 0.89 C ATOM 647 CG ASP A 42 -14.991 -14.191 4.104 1.00 1.39 C ATOM 648 OD1 ASP A 42 -14.013 -13.794 4.715 1.00 2.67 O ATOM 649 OD2 ASP A 42 -15.313 -15.364 4.021 1.00 1.46 O ATOM 0 H ASP A 42 -13.335 -13.751 2.084 1.00 0.34 H new ATOM 0 HA ASP A 42 -15.833 -12.263 1.435 1.00 0.57 H new ATOM 0 HB2 ASP A 42 -16.130 -12.354 4.094 1.00 0.89 H new ATOM 0 HB3 ASP A 42 -16.803 -13.613 3.077 1.00 0.89 H new ATOM 654 N THR A 43 -13.361 -10.942 1.842 1.00 0.46 N ATOM 655 CA THR A 43 -12.534 -9.766 2.236 1.00 0.61 C ATOM 656 C THR A 43 -13.054 -8.520 1.523 1.00 0.68 C ATOM 657 O THR A 43 -13.083 -8.454 0.311 1.00 1.03 O ATOM 658 CB THR A 43 -11.074 -10.003 1.839 1.00 0.77 C ATOM 659 OG1 THR A 43 -11.028 -10.654 0.577 1.00 0.85 O ATOM 660 CG2 THR A 43 -10.392 -10.876 2.893 1.00 0.73 C ATOM 0 H THR A 43 -13.137 -11.349 0.934 1.00 0.46 H new ATOM 0 HA THR A 43 -12.597 -9.627 3.315 1.00 0.61 H new ATOM 0 HB THR A 43 -10.555 -9.047 1.773 1.00 0.77 H new ATOM 0 HG1 THR A 43 -10.260 -11.262 0.550 1.00 0.85 H new ATOM 0 HG21 THR A 43 -9.353 -11.044 2.609 1.00 0.73 H new ATOM 0 HG22 THR A 43 -10.428 -10.374 3.860 1.00 0.73 H new ATOM 0 HG23 THR A 43 -10.909 -11.833 2.962 1.00 0.73 H new ATOM 668 N THR A 44 -13.463 -7.529 2.264 1.00 0.45 N ATOM 669 CA THR A 44 -13.976 -6.284 1.627 1.00 0.60 C ATOM 670 C THR A 44 -12.881 -5.220 1.655 1.00 0.64 C ATOM 671 O THR A 44 -11.717 -5.522 1.813 1.00 0.74 O ATOM 672 CB THR A 44 -15.199 -5.782 2.396 1.00 0.71 C ATOM 673 OG1 THR A 44 -15.692 -6.821 3.230 1.00 0.68 O ATOM 674 CG2 THR A 44 -16.286 -5.358 1.406 1.00 1.30 C ATOM 0 H THR A 44 -13.464 -7.527 3.284 1.00 0.45 H new ATOM 0 HA THR A 44 -14.261 -6.490 0.595 1.00 0.60 H new ATOM 0 HB THR A 44 -14.917 -4.927 3.011 1.00 0.71 H new ATOM 0 HG1 THR A 44 -16.475 -6.500 3.725 1.00 0.68 H new ATOM 0 HG21 THR A 44 -17.158 -5.000 1.954 1.00 1.30 H new ATOM 0 HG22 THR A 44 -15.906 -4.560 0.768 1.00 1.30 H new ATOM 0 HG23 THR A 44 -16.570 -6.211 0.790 1.00 1.30 H new ATOM 682 N GLU A 45 -13.237 -3.975 1.513 1.00 0.75 N ATOM 683 CA GLU A 45 -12.200 -2.909 1.548 1.00 0.86 C ATOM 684 C GLU A 45 -11.742 -2.711 2.995 1.00 0.76 C ATOM 685 O GLU A 45 -10.617 -2.342 3.253 1.00 0.94 O ATOM 686 CB GLU A 45 -12.783 -1.602 1.010 1.00 1.08 C ATOM 687 CG GLU A 45 -13.944 -1.153 1.898 1.00 0.88 C ATOM 688 CD GLU A 45 -14.465 0.196 1.406 1.00 1.46 C ATOM 689 OE1 GLU A 45 -13.654 1.000 0.975 1.00 2.24 O ATOM 690 OE2 GLU A 45 -15.665 0.403 1.470 1.00 1.90 O ATOM 0 H GLU A 45 -14.194 -3.651 1.375 1.00 0.75 H new ATOM 0 HA GLU A 45 -11.352 -3.200 0.928 1.00 0.86 H new ATOM 0 HB2 GLU A 45 -12.012 -0.832 0.985 1.00 1.08 H new ATOM 0 HB3 GLU A 45 -13.128 -1.741 -0.014 1.00 1.08 H new ATOM 0 HG2 GLU A 45 -14.743 -1.895 1.874 1.00 0.88 H new ATOM 0 HG3 GLU A 45 -13.614 -1.072 2.934 1.00 0.88 H new ATOM 697 N LYS A 46 -12.609 -2.958 3.939 1.00 0.59 N ATOM 698 CA LYS A 46 -12.233 -2.787 5.373 1.00 0.77 C ATOM 699 C LYS A 46 -11.168 -3.818 5.757 1.00 0.57 C ATOM 700 O LYS A 46 -10.109 -3.479 6.254 1.00 0.45 O ATOM 701 CB LYS A 46 -13.480 -2.994 6.244 1.00 0.93 C ATOM 702 CG LYS A 46 -13.072 -3.306 7.689 1.00 1.56 C ATOM 703 CD LYS A 46 -14.321 -3.336 8.575 1.00 1.68 C ATOM 704 CE LYS A 46 -14.144 -4.382 9.678 1.00 2.56 C ATOM 705 NZ LYS A 46 -15.422 -5.129 9.867 1.00 2.88 N ATOM 0 H LYS A 46 -13.566 -3.272 3.779 1.00 0.59 H new ATOM 0 HA LYS A 46 -11.833 -1.785 5.528 1.00 0.77 H new ATOM 0 HB2 LYS A 46 -14.102 -2.099 6.219 1.00 0.93 H new ATOM 0 HB3 LYS A 46 -14.080 -3.811 5.844 1.00 0.93 H new ATOM 0 HG2 LYS A 46 -12.558 -4.266 7.734 1.00 1.56 H new ATOM 0 HG3 LYS A 46 -12.373 -2.552 8.052 1.00 1.56 H new ATOM 0 HD2 LYS A 46 -14.490 -2.353 9.016 1.00 1.68 H new ATOM 0 HD3 LYS A 46 -15.200 -3.571 7.974 1.00 1.68 H new ATOM 0 HE2 LYS A 46 -13.343 -5.072 9.414 1.00 2.56 H new ATOM 0 HE3 LYS A 46 -13.853 -3.897 10.610 1.00 2.56 H new ATOM 0 HZ1 LYS A 46 -15.301 -5.840 10.617 1.00 2.88 H new ATOM 0 HZ2 LYS A 46 -16.175 -4.465 10.138 1.00 2.88 H new ATOM 0 HZ3 LYS A 46 -15.681 -5.604 8.979 1.00 2.88 H new ATOM 719 N GLU A 47 -11.445 -5.074 5.548 1.00 0.55 N ATOM 720 CA GLU A 47 -10.461 -6.130 5.921 1.00 0.39 C ATOM 721 C GLU A 47 -9.199 -6.022 5.060 1.00 0.36 C ATOM 722 O GLU A 47 -8.099 -5.972 5.568 1.00 0.42 O ATOM 723 CB GLU A 47 -11.098 -7.505 5.722 1.00 0.28 C ATOM 724 CG GLU A 47 -11.875 -7.890 6.983 1.00 0.57 C ATOM 725 CD GLU A 47 -13.055 -8.785 6.604 1.00 1.45 C ATOM 726 OE1 GLU A 47 -12.824 -9.799 5.969 1.00 1.86 O ATOM 727 OE2 GLU A 47 -14.171 -8.440 6.958 1.00 2.16 O ATOM 0 H GLU A 47 -12.312 -5.417 5.134 1.00 0.55 H new ATOM 0 HA GLU A 47 -10.181 -5.996 6.966 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -11.766 -7.488 4.861 1.00 0.28 H new ATOM 0 HB3 GLU A 47 -10.328 -8.248 5.514 1.00 0.28 H new ATOM 0 HG2 GLU A 47 -11.220 -8.411 7.681 1.00 0.57 H new ATOM 0 HG3 GLU A 47 -12.233 -6.994 7.490 1.00 0.57 H new ATOM 734 N THR A 48 -9.343 -6.007 3.764 1.00 0.36 N ATOM 735 CA THR A 48 -8.143 -5.924 2.879 1.00 0.35 C ATOM 736 C THR A 48 -7.325 -4.667 3.190 1.00 0.44 C ATOM 737 O THR A 48 -6.144 -4.606 2.908 1.00 0.43 O ATOM 738 CB THR A 48 -8.589 -5.877 1.416 1.00 0.38 C ATOM 739 OG1 THR A 48 -9.291 -7.070 1.097 1.00 0.24 O ATOM 740 CG2 THR A 48 -7.360 -5.747 0.515 1.00 0.44 C ATOM 0 H THR A 48 -10.239 -6.049 3.278 1.00 0.36 H new ATOM 0 HA THR A 48 -7.523 -6.803 3.056 1.00 0.35 H new ATOM 0 HB THR A 48 -9.244 -5.020 1.261 1.00 0.38 H new ATOM 0 HG1 THR A 48 -10.252 -6.930 1.231 1.00 0.24 H new ATOM 0 HG21 THR A 48 -7.675 -5.713 -0.528 1.00 0.44 H new ATOM 0 HG22 THR A 48 -6.823 -4.831 0.762 1.00 0.44 H new ATOM 0 HG23 THR A 48 -6.704 -6.604 0.668 1.00 0.44 H new ATOM 748 N PHE A 49 -7.933 -3.658 3.748 1.00 0.52 N ATOM 749 CA PHE A 49 -7.164 -2.415 4.044 1.00 0.58 C ATOM 750 C PHE A 49 -6.393 -2.578 5.355 1.00 0.60 C ATOM 751 O PHE A 49 -5.347 -1.990 5.540 1.00 0.74 O ATOM 752 CB PHE A 49 -8.120 -1.223 4.164 1.00 0.60 C ATOM 753 CG PHE A 49 -8.378 -0.627 2.796 1.00 0.51 C ATOM 754 CD1 PHE A 49 -8.546 -1.459 1.683 1.00 0.81 C ATOM 755 CD2 PHE A 49 -8.448 0.765 2.643 1.00 1.69 C ATOM 756 CE1 PHE A 49 -8.785 -0.903 0.422 1.00 0.92 C ATOM 757 CE2 PHE A 49 -8.688 1.320 1.380 1.00 1.72 C ATOM 758 CZ PHE A 49 -8.857 0.485 0.270 1.00 0.75 C ATOM 0 H PHE A 49 -8.919 -3.638 4.010 1.00 0.52 H new ATOM 0 HA PHE A 49 -6.462 -2.236 3.230 1.00 0.58 H new ATOM 0 HB2 PHE A 49 -9.060 -1.544 4.613 1.00 0.60 H new ATOM 0 HB3 PHE A 49 -7.692 -0.468 4.824 1.00 0.60 H new ATOM 0 HD1 PHE A 49 -8.491 -2.531 1.798 1.00 0.81 H new ATOM 0 HD2 PHE A 49 -8.317 1.409 3.500 1.00 1.69 H new ATOM 0 HE1 PHE A 49 -8.914 -1.547 -0.435 1.00 0.92 H new ATOM 0 HE2 PHE A 49 -8.743 2.392 1.263 1.00 1.72 H new ATOM 0 HZ PHE A 49 -9.043 0.913 -0.704 1.00 0.75 H new ATOM 768 N CYS A 50 -6.895 -3.360 6.272 1.00 0.52 N ATOM 769 CA CYS A 50 -6.170 -3.527 7.566 1.00 0.53 C ATOM 770 C CYS A 50 -5.019 -4.527 7.405 1.00 0.54 C ATOM 771 O CYS A 50 -4.005 -4.425 8.068 1.00 0.75 O ATOM 772 CB CYS A 50 -7.147 -4.013 8.643 1.00 0.55 C ATOM 773 SG CYS A 50 -6.947 -5.794 8.910 1.00 1.22 S ATOM 0 H CYS A 50 -7.765 -3.885 6.184 1.00 0.52 H new ATOM 0 HA CYS A 50 -5.753 -2.566 7.868 1.00 0.53 H new ATOM 0 HB2 CYS A 50 -6.969 -3.476 9.575 1.00 0.55 H new ATOM 0 HB3 CYS A 50 -8.171 -3.796 8.340 1.00 0.55 H new ATOM 778 N ARG A 51 -5.152 -5.482 6.524 1.00 0.33 N ATOM 779 CA ARG A 51 -4.050 -6.467 6.329 1.00 0.33 C ATOM 780 C ARG A 51 -2.992 -5.840 5.426 1.00 0.30 C ATOM 781 O ARG A 51 -1.811 -5.882 5.709 1.00 0.22 O ATOM 782 CB ARG A 51 -4.604 -7.738 5.680 1.00 0.45 C ATOM 783 CG ARG A 51 -5.043 -8.713 6.775 1.00 0.63 C ATOM 784 CD ARG A 51 -5.576 -9.999 6.142 1.00 0.68 C ATOM 785 NE ARG A 51 -7.030 -10.128 6.447 1.00 1.41 N ATOM 786 CZ ARG A 51 -7.786 -10.991 5.808 1.00 1.41 C ATOM 787 NH1 ARG A 51 -7.287 -11.783 4.888 1.00 0.37 N ATOM 788 NH2 ARG A 51 -9.057 -11.068 6.096 1.00 2.90 N ATOM 0 H ARG A 51 -5.972 -5.622 5.934 1.00 0.33 H new ATOM 0 HA ARG A 51 -3.607 -6.729 7.290 1.00 0.33 H new ATOM 0 HB2 ARG A 51 -5.448 -7.493 5.035 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -3.844 -8.199 5.049 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -4.202 -8.941 7.430 1.00 0.63 H new ATOM 0 HG3 ARG A 51 -5.814 -8.255 7.394 1.00 0.63 H new ATOM 0 HD2 ARG A 51 -5.418 -9.980 5.064 1.00 0.68 H new ATOM 0 HD3 ARG A 51 -5.033 -10.861 6.529 1.00 0.68 H new ATOM 0 HE ARG A 51 -7.445 -9.535 7.165 1.00 1.41 H new ATOM 0 HH11 ARG A 51 -6.295 -11.735 4.658 1.00 0.37 H new ATOM 0 HH12 ARG A 51 -7.892 -12.446 4.403 1.00 0.37 H new ATOM 0 HH21 ARG A 51 -9.455 -10.461 6.812 1.00 2.90 H new ATOM 0 HH22 ARG A 51 -9.652 -11.735 5.605 1.00 2.90 H new ATOM 802 N ALA A 52 -3.411 -5.237 4.350 1.00 0.41 N ATOM 803 CA ALA A 52 -2.435 -4.586 3.439 1.00 0.43 C ATOM 804 C ALA A 52 -1.818 -3.376 4.150 1.00 0.40 C ATOM 805 O ALA A 52 -0.715 -2.965 3.849 1.00 0.38 O ATOM 806 CB ALA A 52 -3.150 -4.121 2.172 1.00 0.52 C ATOM 0 H ALA A 52 -4.387 -5.168 4.063 1.00 0.41 H new ATOM 0 HA ALA A 52 -1.652 -5.296 3.171 1.00 0.43 H new ATOM 0 HB1 ALA A 52 -2.433 -3.643 1.504 1.00 0.52 H new ATOM 0 HB2 ALA A 52 -3.597 -4.979 1.671 1.00 0.52 H new ATOM 0 HB3 ALA A 52 -3.931 -3.408 2.436 1.00 0.52 H new ATOM 812 N ALA A 53 -2.522 -2.803 5.093 1.00 0.41 N ATOM 813 CA ALA A 53 -1.973 -1.626 5.822 1.00 0.41 C ATOM 814 C ALA A 53 -0.828 -2.084 6.723 1.00 0.41 C ATOM 815 O ALA A 53 0.234 -1.498 6.737 1.00 0.35 O ATOM 816 CB ALA A 53 -3.071 -0.995 6.680 1.00 0.41 C ATOM 0 H ALA A 53 -3.452 -3.101 5.387 1.00 0.41 H new ATOM 0 HA ALA A 53 -1.608 -0.891 5.105 1.00 0.41 H new ATOM 0 HB1 ALA A 53 -2.667 -0.134 7.213 1.00 0.41 H new ATOM 0 HB2 ALA A 53 -3.893 -0.673 6.040 1.00 0.41 H new ATOM 0 HB3 ALA A 53 -3.437 -1.728 7.399 1.00 0.41 H new ATOM 822 N THR A 54 -1.036 -3.131 7.475 1.00 0.59 N ATOM 823 CA THR A 54 0.047 -3.628 8.367 1.00 0.61 C ATOM 824 C THR A 54 1.274 -3.955 7.518 1.00 0.58 C ATOM 825 O THR A 54 2.400 -3.720 7.913 1.00 0.53 O ATOM 826 CB THR A 54 -0.427 -4.887 9.097 1.00 0.67 C ATOM 827 OG1 THR A 54 -1.176 -4.508 10.242 1.00 0.76 O ATOM 828 CG2 THR A 54 0.780 -5.721 9.529 1.00 0.67 C ATOM 0 H THR A 54 -1.907 -3.661 7.509 1.00 0.59 H new ATOM 0 HA THR A 54 0.301 -2.865 9.103 1.00 0.61 H new ATOM 0 HB THR A 54 -1.051 -5.481 8.429 1.00 0.67 H new ATOM 0 HG1 THR A 54 -1.483 -5.311 10.712 1.00 0.76 H new ATOM 0 HG21 THR A 54 0.437 -6.616 10.048 1.00 0.67 H new ATOM 0 HG22 THR A 54 1.356 -6.010 8.650 1.00 0.67 H new ATOM 0 HG23 THR A 54 1.409 -5.132 10.197 1.00 0.67 H new ATOM 836 N VAL A 55 1.062 -4.485 6.346 1.00 0.64 N ATOM 837 CA VAL A 55 2.212 -4.818 5.463 1.00 0.61 C ATOM 838 C VAL A 55 2.885 -3.519 5.012 1.00 0.54 C ATOM 839 O VAL A 55 4.085 -3.457 4.836 1.00 0.52 O ATOM 840 CB VAL A 55 1.707 -5.588 4.242 1.00 0.64 C ATOM 841 CG1 VAL A 55 2.897 -6.058 3.405 1.00 0.58 C ATOM 842 CG2 VAL A 55 0.903 -6.804 4.708 1.00 0.86 C ATOM 0 H VAL A 55 0.142 -4.702 5.962 1.00 0.64 H new ATOM 0 HA VAL A 55 2.931 -5.434 6.004 1.00 0.61 H new ATOM 0 HB VAL A 55 1.073 -4.938 3.639 1.00 0.64 H new ATOM 0 HG11 VAL A 55 2.536 -6.607 2.535 1.00 0.58 H new ATOM 0 HG12 VAL A 55 3.474 -5.194 3.075 1.00 0.58 H new ATOM 0 HG13 VAL A 55 3.531 -6.709 4.007 1.00 0.58 H new ATOM 0 HG21 VAL A 55 0.541 -7.355 3.840 1.00 0.86 H new ATOM 0 HG22 VAL A 55 1.540 -7.452 5.310 1.00 0.86 H new ATOM 0 HG23 VAL A 55 0.055 -6.472 5.306 1.00 0.86 H new ATOM 852 N LEU A 56 2.117 -2.477 4.832 1.00 0.51 N ATOM 853 CA LEU A 56 2.703 -1.177 4.403 1.00 0.45 C ATOM 854 C LEU A 56 3.496 -0.564 5.562 1.00 0.49 C ATOM 855 O LEU A 56 4.391 0.231 5.358 1.00 0.58 O ATOM 856 CB LEU A 56 1.584 -0.219 3.985 1.00 0.43 C ATOM 857 CG LEU A 56 1.556 -0.106 2.459 1.00 0.33 C ATOM 858 CD1 LEU A 56 1.019 -1.407 1.861 1.00 0.25 C ATOM 859 CD2 LEU A 56 0.646 1.054 2.050 1.00 0.69 C ATOM 0 H LEU A 56 1.106 -2.472 4.965 1.00 0.51 H new ATOM 0 HA LEU A 56 3.369 -1.345 3.556 1.00 0.45 H new ATOM 0 HB2 LEU A 56 0.624 -0.582 4.352 1.00 0.43 H new ATOM 0 HB3 LEU A 56 1.745 0.763 4.431 1.00 0.43 H new ATOM 0 HG LEU A 56 2.566 0.075 2.090 1.00 0.33 H new ATOM 0 HD11 LEU A 56 0.999 -1.327 0.774 1.00 0.25 H new ATOM 0 HD12 LEU A 56 1.665 -2.235 2.152 1.00 0.25 H new ATOM 0 HD13 LEU A 56 0.009 -1.588 2.230 1.00 0.25 H new ATOM 0 HD21 LEU A 56 0.626 1.135 0.963 1.00 0.69 H new ATOM 0 HD22 LEU A 56 -0.363 0.872 2.419 1.00 0.69 H new ATOM 0 HD23 LEU A 56 1.026 1.982 2.476 1.00 0.69 H new ATOM 871 N ARG A 57 3.181 -0.931 6.777 1.00 0.43 N ATOM 872 CA ARG A 57 3.929 -0.376 7.936 1.00 0.46 C ATOM 873 C ARG A 57 5.283 -1.080 8.026 1.00 0.47 C ATOM 874 O ARG A 57 6.285 -0.486 8.369 1.00 0.50 O ATOM 875 CB ARG A 57 3.138 -0.617 9.224 1.00 0.70 C ATOM 876 CG ARG A 57 3.561 0.406 10.280 1.00 1.06 C ATOM 877 CD ARG A 57 2.597 0.348 11.467 1.00 1.30 C ATOM 878 NE ARG A 57 2.790 -0.933 12.206 1.00 0.85 N ATOM 879 CZ ARG A 57 2.315 -1.093 13.421 1.00 1.05 C ATOM 880 NH1 ARG A 57 1.663 -0.131 14.031 1.00 1.24 N ATOM 881 NH2 ARG A 57 2.498 -2.230 14.033 1.00 2.36 N ATOM 0 H ARG A 57 2.439 -1.590 7.013 1.00 0.43 H new ATOM 0 HA ARG A 57 4.074 0.696 7.805 1.00 0.46 H new ATOM 0 HB2 ARG A 57 2.069 -0.533 9.028 1.00 0.70 H new ATOM 0 HB3 ARG A 57 3.317 -1.628 9.590 1.00 0.70 H new ATOM 0 HG2 ARG A 57 4.578 0.199 10.614 1.00 1.06 H new ATOM 0 HG3 ARG A 57 3.564 1.408 9.850 1.00 1.06 H new ATOM 0 HD2 ARG A 57 2.772 1.193 12.132 1.00 1.30 H new ATOM 0 HD3 ARG A 57 1.568 0.426 11.117 1.00 1.30 H new ATOM 0 HE ARG A 57 3.299 -1.697 11.761 1.00 0.85 H new ATOM 0 HH11 ARG A 57 1.516 0.763 13.562 1.00 1.24 H new ATOM 0 HH12 ARG A 57 1.303 -0.277 14.974 1.00 1.24 H new ATOM 0 HH21 ARG A 57 3.005 -2.983 13.569 1.00 2.36 H new ATOM 0 HH22 ARG A 57 2.134 -2.366 14.976 1.00 2.36 H new ATOM 895 N GLN A 58 5.317 -2.347 7.709 1.00 0.54 N ATOM 896 CA GLN A 58 6.602 -3.098 7.762 1.00 0.64 C ATOM 897 C GLN A 58 7.471 -2.713 6.560 1.00 0.56 C ATOM 898 O GLN A 58 8.680 -2.824 6.597 1.00 0.68 O ATOM 899 CB GLN A 58 6.315 -4.601 7.716 1.00 0.85 C ATOM 900 CG GLN A 58 6.207 -5.152 9.140 1.00 1.55 C ATOM 901 CD GLN A 58 6.738 -6.586 9.172 1.00 1.40 C ATOM 902 OE1 GLN A 58 6.026 -7.503 9.527 1.00 2.50 O ATOM 903 NE2 GLN A 58 7.971 -6.819 8.812 1.00 0.23 N ATOM 0 H GLN A 58 4.508 -2.894 7.415 1.00 0.54 H new ATOM 0 HA GLN A 58 7.127 -2.852 8.685 1.00 0.64 H new ATOM 0 HB2 GLN A 58 5.388 -4.787 7.173 1.00 0.85 H new ATOM 0 HB3 GLN A 58 7.110 -5.116 7.176 1.00 0.85 H new ATOM 0 HG2 GLN A 58 6.776 -4.526 9.828 1.00 1.55 H new ATOM 0 HG3 GLN A 58 5.169 -5.129 9.473 1.00 1.55 H new ATOM 0 HE21 GLN A 58 8.569 -6.049 8.514 1.00 0.23 H new ATOM 0 HE22 GLN A 58 8.336 -7.771 8.829 1.00 0.23 H new ATOM 912 N PHE A 59 6.866 -2.265 5.490 1.00 0.42 N ATOM 913 CA PHE A 59 7.661 -1.879 4.288 1.00 0.45 C ATOM 914 C PHE A 59 8.110 -0.417 4.409 1.00 0.37 C ATOM 915 O PHE A 59 9.097 -0.013 3.828 1.00 0.42 O ATOM 916 CB PHE A 59 6.793 -2.057 3.035 1.00 0.70 C ATOM 917 CG PHE A 59 7.395 -1.298 1.872 1.00 0.47 C ATOM 918 CD1 PHE A 59 8.747 -1.466 1.549 1.00 1.37 C ATOM 919 CD2 PHE A 59 6.599 -0.429 1.117 1.00 0.94 C ATOM 920 CE1 PHE A 59 9.303 -0.764 0.473 1.00 1.54 C ATOM 921 CE2 PHE A 59 7.155 0.273 0.041 1.00 0.70 C ATOM 922 CZ PHE A 59 8.507 0.107 -0.282 1.00 0.56 C ATOM 0 H PHE A 59 5.857 -2.150 5.398 1.00 0.42 H new ATOM 0 HA PHE A 59 8.545 -2.513 4.213 1.00 0.45 H new ATOM 0 HB2 PHE A 59 6.713 -3.115 2.786 1.00 0.70 H new ATOM 0 HB3 PHE A 59 5.782 -1.698 3.229 1.00 0.70 H new ATOM 0 HD1 PHE A 59 9.361 -2.138 2.130 1.00 1.37 H new ATOM 0 HD2 PHE A 59 5.556 -0.300 1.365 1.00 0.94 H new ATOM 0 HE1 PHE A 59 10.346 -0.894 0.225 1.00 1.54 H new ATOM 0 HE2 PHE A 59 6.540 0.944 -0.541 1.00 0.70 H new ATOM 0 HZ PHE A 59 8.936 0.649 -1.112 1.00 0.56 H new ATOM 932 N TYR A 60 7.401 0.384 5.160 1.00 0.46 N ATOM 933 CA TYR A 60 7.804 1.814 5.303 1.00 0.56 C ATOM 934 C TYR A 60 8.759 1.982 6.485 1.00 0.42 C ATOM 935 O TYR A 60 9.488 2.944 6.561 1.00 0.53 O ATOM 936 CB TYR A 60 6.566 2.679 5.543 1.00 0.74 C ATOM 937 CG TYR A 60 6.729 3.431 6.844 1.00 0.29 C ATOM 938 CD1 TYR A 60 7.378 4.672 6.860 1.00 0.57 C ATOM 939 CD2 TYR A 60 6.234 2.883 8.034 1.00 0.47 C ATOM 940 CE1 TYR A 60 7.533 5.366 8.066 1.00 0.77 C ATOM 941 CE2 TYR A 60 6.389 3.578 9.240 1.00 0.76 C ATOM 942 CZ TYR A 60 7.037 4.819 9.256 1.00 0.84 C ATOM 943 OH TYR A 60 7.190 5.502 10.446 1.00 1.31 O ATOM 0 H TYR A 60 6.565 0.112 5.678 1.00 0.46 H new ATOM 0 HA TYR A 60 8.304 2.125 4.386 1.00 0.56 H new ATOM 0 HB2 TYR A 60 6.432 3.379 4.719 1.00 0.74 H new ATOM 0 HB3 TYR A 60 5.673 2.055 5.579 1.00 0.74 H new ATOM 0 HD1 TYR A 60 7.759 5.094 5.942 1.00 0.57 H new ATOM 0 HD2 TYR A 60 5.734 1.926 8.022 1.00 0.47 H new ATOM 0 HE1 TYR A 60 8.035 6.322 8.079 1.00 0.77 H new ATOM 0 HE2 TYR A 60 6.008 3.156 10.158 1.00 0.76 H new ATOM 0 HH TYR A 60 6.788 4.984 11.175 1.00 1.31 H new ATOM 953 N SER A 61 8.757 1.072 7.418 1.00 0.35 N ATOM 954 CA SER A 61 9.671 1.215 8.587 1.00 0.42 C ATOM 955 C SER A 61 11.004 0.508 8.311 1.00 0.35 C ATOM 956 O SER A 61 12.012 0.818 8.914 1.00 0.16 O ATOM 957 CB SER A 61 9.013 0.598 9.824 1.00 0.65 C ATOM 958 OG SER A 61 9.913 0.678 10.922 1.00 1.17 O ATOM 0 H SER A 61 8.167 0.240 7.423 1.00 0.35 H new ATOM 0 HA SER A 61 9.863 2.274 8.759 1.00 0.42 H new ATOM 0 HB2 SER A 61 8.087 1.123 10.058 1.00 0.65 H new ATOM 0 HB3 SER A 61 8.749 -0.442 9.630 1.00 0.65 H new ATOM 0 HG SER A 61 9.495 0.285 11.717 1.00 1.17 H new ATOM 964 N HIS A 62 11.018 -0.452 7.423 1.00 0.64 N ATOM 965 CA HIS A 62 12.287 -1.186 7.140 1.00 0.65 C ATOM 966 C HIS A 62 13.077 -0.520 6.005 1.00 0.64 C ATOM 967 O HIS A 62 14.181 -0.052 6.201 1.00 0.73 O ATOM 968 CB HIS A 62 11.954 -2.626 6.744 1.00 1.04 C ATOM 969 CG HIS A 62 12.222 -3.543 7.905 1.00 0.97 C ATOM 970 ND1 HIS A 62 13.263 -4.457 7.897 1.00 1.20 N ATOM 971 CD2 HIS A 62 11.595 -3.697 9.117 1.00 1.32 C ATOM 972 CE1 HIS A 62 13.233 -5.115 9.071 1.00 1.21 C ATOM 973 NE2 HIS A 62 12.236 -4.691 9.851 1.00 1.22 N ATOM 0 H HIS A 62 10.209 -0.759 6.883 1.00 0.64 H new ATOM 0 HA HIS A 62 12.902 -1.169 8.040 1.00 0.65 H new ATOM 0 HB2 HIS A 62 10.909 -2.699 6.444 1.00 1.04 H new ATOM 0 HB3 HIS A 62 12.554 -2.926 5.885 1.00 1.04 H new ATOM 0 HD2 HIS A 62 10.736 -3.133 9.450 1.00 1.32 H new ATOM 0 HE1 HIS A 62 13.931 -5.891 9.348 1.00 1.21 H new ATOM 0 HE2 HIS A 62 11.995 -5.024 10.785 1.00 1.22 H new ATOM 981 N HIS A 63 12.541 -0.505 4.813 1.00 0.71 N ATOM 982 CA HIS A 63 13.291 0.095 3.667 1.00 0.83 C ATOM 983 C HIS A 63 12.994 1.591 3.532 1.00 0.86 C ATOM 984 O HIS A 63 12.710 2.077 2.455 1.00 1.27 O ATOM 985 CB HIS A 63 12.887 -0.617 2.374 1.00 1.00 C ATOM 986 CG HIS A 63 13.296 -2.062 2.447 1.00 1.23 C ATOM 987 ND1 HIS A 63 14.541 -2.498 2.025 1.00 1.72 N ATOM 988 CD2 HIS A 63 12.633 -3.181 2.887 1.00 1.38 C ATOM 989 CE1 HIS A 63 14.590 -3.829 2.217 1.00 2.07 C ATOM 990 NE2 HIS A 63 13.453 -4.297 2.739 1.00 1.97 N ATOM 0 H HIS A 63 11.621 -0.880 4.583 1.00 0.71 H new ATOM 0 HA HIS A 63 14.358 -0.028 3.852 1.00 0.83 H new ATOM 0 HB2 HIS A 63 11.810 -0.540 2.226 1.00 1.00 H new ATOM 0 HB3 HIS A 63 13.362 -0.137 1.518 1.00 1.00 H new ATOM 0 HD2 HIS A 63 11.630 -3.194 3.287 1.00 1.38 H new ATOM 0 HE1 HIS A 63 15.445 -4.444 1.978 1.00 2.07 H new ATOM 0 HE2 HIS A 63 13.233 -5.264 2.978 1.00 1.97 H new ATOM 998 N GLU A 64 13.071 2.335 4.600 1.00 0.75 N ATOM 999 CA GLU A 64 12.807 3.797 4.494 1.00 0.83 C ATOM 1000 C GLU A 64 14.112 4.542 4.201 1.00 1.39 C ATOM 1001 O GLU A 64 14.107 5.614 3.629 1.00 1.73 O ATOM 1002 CB GLU A 64 12.204 4.310 5.798 1.00 0.56 C ATOM 1003 CG GLU A 64 13.307 4.538 6.835 1.00 0.64 C ATOM 1004 CD GLU A 64 12.673 4.800 8.203 1.00 1.22 C ATOM 1005 OE1 GLU A 64 11.921 5.755 8.312 1.00 0.87 O ATOM 1006 OE2 GLU A 64 12.949 4.042 9.118 1.00 2.36 O ATOM 0 H GLU A 64 13.303 1.998 5.534 1.00 0.75 H new ATOM 0 HA GLU A 64 12.104 3.973 3.680 1.00 0.83 H new ATOM 0 HB2 GLU A 64 11.666 5.241 5.617 1.00 0.56 H new ATOM 0 HB3 GLU A 64 11.479 3.591 6.180 1.00 0.56 H new ATOM 0 HG2 GLU A 64 13.960 3.666 6.885 1.00 0.64 H new ATOM 0 HG3 GLU A 64 13.928 5.385 6.542 1.00 0.64 H new ATOM 1013 N LYS A 65 15.231 3.990 4.586 1.00 1.62 N ATOM 1014 CA LYS A 65 16.526 4.680 4.324 1.00 2.24 C ATOM 1015 C LYS A 65 17.651 3.646 4.212 1.00 2.14 C ATOM 1016 O LYS A 65 18.754 3.866 4.671 1.00 2.69 O ATOM 1017 CB LYS A 65 16.831 5.641 5.474 1.00 2.91 C ATOM 1018 CG LYS A 65 17.263 6.993 4.907 1.00 3.81 C ATOM 1019 CD LYS A 65 18.132 7.722 5.933 1.00 3.94 C ATOM 1020 CE LYS A 65 17.245 8.260 7.056 1.00 3.76 C ATOM 1021 NZ LYS A 65 18.043 8.374 8.309 1.00 3.09 N ATOM 0 H LYS A 65 15.304 3.094 5.069 1.00 1.62 H new ATOM 0 HA LYS A 65 16.455 5.237 3.390 1.00 2.24 H new ATOM 0 HB2 LYS A 65 15.949 5.763 6.103 1.00 2.91 H new ATOM 0 HB3 LYS A 65 17.619 5.231 6.106 1.00 2.91 H new ATOM 0 HG2 LYS A 65 17.819 6.850 3.980 1.00 3.81 H new ATOM 0 HG3 LYS A 65 16.387 7.594 4.664 1.00 3.81 H new ATOM 0 HD2 LYS A 65 18.881 7.043 6.340 1.00 3.94 H new ATOM 0 HD3 LYS A 65 18.670 8.541 5.455 1.00 3.94 H new ATOM 0 HE2 LYS A 65 16.841 9.234 6.780 1.00 3.76 H new ATOM 0 HE3 LYS A 65 16.395 7.595 7.213 1.00 3.76 H new ATOM 0 HZ1 LYS A 65 17.440 8.740 9.073 1.00 3.09 H new ATOM 0 HZ2 LYS A 65 18.408 7.437 8.575 1.00 3.09 H new ATOM 0 HZ3 LYS A 65 18.840 9.025 8.155 1.00 3.09 H new ATOM 1035 N ASP A 66 17.384 2.523 3.602 1.00 1.48 N ATOM 1036 CA ASP A 66 18.445 1.483 3.461 1.00 1.43 C ATOM 1037 C ASP A 66 19.231 1.731 2.173 1.00 1.31 C ATOM 1038 O ASP A 66 18.702 2.220 1.195 1.00 1.16 O ATOM 1039 CB ASP A 66 17.804 0.096 3.407 1.00 1.21 C ATOM 1040 CG ASP A 66 18.814 -0.949 3.887 1.00 1.69 C ATOM 1041 OD1 ASP A 66 19.483 -0.687 4.872 1.00 2.11 O ATOM 1042 OD2 ASP A 66 18.900 -1.992 3.261 1.00 1.93 O ATOM 0 H ASP A 66 16.480 2.280 3.196 1.00 1.48 H new ATOM 0 HA ASP A 66 19.118 1.536 4.317 1.00 1.43 H new ATOM 0 HB2 ASP A 66 16.912 0.071 4.033 1.00 1.21 H new ATOM 0 HB3 ASP A 66 17.485 -0.130 2.389 1.00 1.21 H new ATOM 1047 N THR A 67 20.490 1.394 2.165 1.00 1.44 N ATOM 1048 CA THR A 67 21.314 1.608 0.942 1.00 1.34 C ATOM 1049 C THR A 67 20.864 0.647 -0.164 1.00 1.05 C ATOM 1050 O THR A 67 21.042 0.913 -1.337 1.00 0.99 O ATOM 1051 CB THR A 67 22.788 1.359 1.275 1.00 1.47 C ATOM 1052 OG1 THR A 67 22.952 0.020 1.720 1.00 0.57 O ATOM 1053 CG2 THR A 67 23.234 2.324 2.375 1.00 2.12 C ATOM 0 H THR A 67 20.985 0.979 2.954 1.00 1.44 H new ATOM 0 HA THR A 67 21.187 2.633 0.594 1.00 1.34 H new ATOM 0 HB THR A 67 23.395 1.522 0.384 1.00 1.47 H new ATOM 0 HG1 THR A 67 23.895 -0.141 1.932 1.00 0.57 H new ATOM 0 HG21 THR A 67 24.283 2.146 2.612 1.00 2.12 H new ATOM 0 HG22 THR A 67 23.108 3.351 2.031 1.00 2.12 H new ATOM 0 HG23 THR A 67 22.629 2.164 3.267 1.00 2.12 H new ATOM 1061 N ARG A 68 20.285 -0.468 0.195 1.00 0.96 N ATOM 1062 CA ARG A 68 19.829 -1.439 -0.840 1.00 0.75 C ATOM 1063 C ARG A 68 18.751 -0.796 -1.717 1.00 0.37 C ATOM 1064 O ARG A 68 18.682 -1.032 -2.906 1.00 0.11 O ATOM 1065 CB ARG A 68 19.250 -2.679 -0.157 1.00 0.93 C ATOM 1066 CG ARG A 68 19.732 -3.934 -0.887 1.00 0.99 C ATOM 1067 CD ARG A 68 18.749 -4.287 -2.003 1.00 2.19 C ATOM 1068 NE ARG A 68 18.447 -5.755 -1.962 1.00 2.36 N ATOM 1069 CZ ARG A 68 19.400 -6.659 -1.937 1.00 2.35 C ATOM 1070 NH1 ARG A 68 20.649 -6.345 -2.186 1.00 2.86 N ATOM 1071 NH2 ARG A 68 19.087 -7.910 -1.733 1.00 2.54 N ATOM 0 H ARG A 68 20.109 -0.748 1.160 1.00 0.96 H new ATOM 0 HA ARG A 68 20.678 -1.724 -1.461 1.00 0.75 H new ATOM 0 HB2 ARG A 68 19.561 -2.711 0.887 1.00 0.93 H new ATOM 0 HB3 ARG A 68 18.161 -2.636 -0.164 1.00 0.93 H new ATOM 0 HG2 ARG A 68 20.725 -3.766 -1.303 1.00 0.99 H new ATOM 0 HG3 ARG A 68 19.816 -4.765 -0.186 1.00 0.99 H new ATOM 0 HD2 ARG A 68 17.830 -3.713 -1.887 1.00 2.19 H new ATOM 0 HD3 ARG A 68 19.171 -4.019 -2.972 1.00 2.19 H new ATOM 0 HE ARG A 68 17.474 -6.061 -1.953 1.00 2.36 H new ATOM 0 HH11 ARG A 68 20.898 -5.381 -2.405 1.00 2.86 H new ATOM 0 HH12 ARG A 68 21.371 -7.065 -2.160 1.00 2.86 H new ATOM 0 HH21 ARG A 68 18.112 -8.176 -1.595 1.00 2.54 H new ATOM 0 HH22 ARG A 68 19.818 -8.621 -1.711 1.00 2.54 H new ATOM 1085 N CYS A 69 17.904 0.011 -1.137 1.00 0.54 N ATOM 1086 CA CYS A 69 16.826 0.661 -1.936 1.00 0.19 C ATOM 1087 C CYS A 69 17.375 1.890 -2.669 1.00 0.50 C ATOM 1088 O CYS A 69 16.823 2.326 -3.659 1.00 0.72 O ATOM 1089 CB CYS A 69 15.695 1.091 -1.002 1.00 0.55 C ATOM 1090 SG CYS A 69 14.345 -0.110 -1.103 1.00 1.63 S ATOM 0 H CYS A 69 17.912 0.248 -0.145 1.00 0.54 H new ATOM 0 HA CYS A 69 16.451 -0.051 -2.671 1.00 0.19 H new ATOM 0 HB2 CYS A 69 16.060 1.159 0.023 1.00 0.55 H new ATOM 0 HB3 CYS A 69 15.336 2.082 -1.279 1.00 0.55 H new ATOM 1095 N LEU A 70 18.451 2.459 -2.191 1.00 0.86 N ATOM 1096 CA LEU A 70 19.019 3.663 -2.865 1.00 1.34 C ATOM 1097 C LEU A 70 19.260 3.364 -4.347 1.00 1.60 C ATOM 1098 O LEU A 70 18.484 3.745 -5.201 1.00 1.79 O ATOM 1099 CB LEU A 70 20.346 4.043 -2.201 1.00 1.84 C ATOM 1100 CG LEU A 70 20.132 5.248 -1.284 1.00 2.25 C ATOM 1101 CD1 LEU A 70 19.914 6.503 -2.129 1.00 4.07 C ATOM 1102 CD2 LEU A 70 18.905 5.005 -0.406 1.00 1.07 C ATOM 0 H LEU A 70 18.959 2.143 -1.365 1.00 0.86 H new ATOM 0 HA LEU A 70 18.314 4.489 -2.774 1.00 1.34 H new ATOM 0 HB2 LEU A 70 20.732 3.200 -1.627 1.00 1.84 H new ATOM 0 HB3 LEU A 70 21.091 4.279 -2.961 1.00 1.84 H new ATOM 0 HG LEU A 70 21.011 5.385 -0.654 1.00 2.25 H new ATOM 0 HD11 LEU A 70 19.762 7.361 -1.474 1.00 4.07 H new ATOM 0 HD12 LEU A 70 20.789 6.676 -2.756 1.00 4.07 H new ATOM 0 HD13 LEU A 70 19.036 6.368 -2.761 1.00 4.07 H new ATOM 0 HD21 LEU A 70 18.750 5.863 0.249 1.00 1.07 H new ATOM 0 HD22 LEU A 70 18.027 4.868 -1.037 1.00 1.07 H new ATOM 0 HD23 LEU A 70 19.061 4.111 0.198 1.00 1.07 H new ATOM 1114 N GLY A 71 20.330 2.687 -4.664 1.00 1.77 N ATOM 1115 CA GLY A 71 20.616 2.370 -6.092 1.00 2.14 C ATOM 1116 C GLY A 71 22.084 2.671 -6.400 1.00 2.56 C ATOM 1117 O GLY A 71 22.959 1.870 -6.141 1.00 3.18 O ATOM 0 H GLY A 71 21.018 2.340 -3.996 1.00 1.77 H new ATOM 0 HA2 GLY A 71 20.400 1.321 -6.293 1.00 2.14 H new ATOM 0 HA3 GLY A 71 19.969 2.959 -6.742 1.00 2.14 H new ATOM 1121 N ALA A 72 22.362 3.823 -6.950 1.00 2.34 N ATOM 1122 CA ALA A 72 23.774 4.175 -7.271 1.00 2.71 C ATOM 1123 C ALA A 72 23.841 5.612 -7.797 1.00 2.71 C ATOM 1124 O ALA A 72 24.483 5.888 -8.792 1.00 3.42 O ATOM 1125 CB ALA A 72 24.310 3.217 -8.339 1.00 3.14 C ATOM 0 H ALA A 72 21.672 4.535 -7.190 1.00 2.34 H new ATOM 0 HA ALA A 72 24.380 4.091 -6.369 1.00 2.71 H new ATOM 0 HB1 ALA A 72 25.343 3.475 -8.574 1.00 3.14 H new ATOM 0 HB2 ALA A 72 24.267 2.194 -7.965 1.00 3.14 H new ATOM 0 HB3 ALA A 72 23.702 3.299 -9.240 1.00 3.14 H new ATOM 1131 N THR A 73 23.187 6.530 -7.137 1.00 1.93 N ATOM 1132 CA THR A 73 23.219 7.945 -7.602 1.00 1.90 C ATOM 1133 C THR A 73 22.755 8.870 -6.473 1.00 1.58 C ATOM 1134 O THR A 73 21.989 8.481 -5.613 1.00 1.53 O ATOM 1135 CB THR A 73 22.292 8.109 -8.809 1.00 2.05 C ATOM 1136 OG1 THR A 73 21.817 6.834 -9.216 1.00 2.34 O ATOM 1137 CG2 THR A 73 23.062 8.761 -9.958 1.00 2.43 C ATOM 0 H THR A 73 22.633 6.361 -6.297 1.00 1.93 H new ATOM 0 HA THR A 73 24.238 8.206 -7.888 1.00 1.90 H new ATOM 0 HB THR A 73 21.446 8.741 -8.537 1.00 2.05 H new ATOM 0 HG1 THR A 73 21.222 6.938 -9.988 1.00 2.34 H new ATOM 0 HG21 THR A 73 22.402 8.878 -10.818 1.00 2.43 H new ATOM 0 HG22 THR A 73 23.425 9.739 -9.644 1.00 2.43 H new ATOM 0 HG23 THR A 73 23.908 8.131 -10.233 1.00 2.43 H new ATOM 1145 N ALA A 74 23.214 10.094 -6.469 1.00 1.36 N ATOM 1146 CA ALA A 74 22.803 11.046 -5.399 1.00 1.07 C ATOM 1147 C ALA A 74 21.350 11.475 -5.619 1.00 0.80 C ATOM 1148 O ALA A 74 20.655 11.836 -4.690 1.00 0.61 O ATOM 1149 CB ALA A 74 23.712 12.278 -5.439 1.00 1.06 C ATOM 0 H ALA A 74 23.857 10.475 -7.163 1.00 1.36 H new ATOM 0 HA ALA A 74 22.890 10.559 -4.428 1.00 1.07 H new ATOM 0 HB1 ALA A 74 23.413 12.976 -4.657 1.00 1.06 H new ATOM 0 HB2 ALA A 74 24.746 11.973 -5.277 1.00 1.06 H new ATOM 0 HB3 ALA A 74 23.625 12.763 -6.411 1.00 1.06 H new ATOM 1155 N GLN A 75 20.879 11.439 -6.836 1.00 0.84 N ATOM 1156 CA GLN A 75 19.469 11.845 -7.094 1.00 0.67 C ATOM 1157 C GLN A 75 18.524 10.817 -6.467 1.00 0.56 C ATOM 1158 O GLN A 75 17.451 11.149 -6.002 1.00 0.48 O ATOM 1159 CB GLN A 75 19.220 11.909 -8.601 1.00 0.91 C ATOM 1160 CG GLN A 75 19.545 13.313 -9.113 1.00 1.12 C ATOM 1161 CD GLN A 75 18.292 13.934 -9.731 1.00 2.29 C ATOM 1162 OE1 GLN A 75 17.350 14.252 -9.033 1.00 3.34 O ATOM 1163 NE2 GLN A 75 18.241 14.122 -11.022 1.00 2.51 N ATOM 0 H GLN A 75 21.407 11.147 -7.659 1.00 0.84 H new ATOM 0 HA GLN A 75 19.288 12.826 -6.656 1.00 0.67 H new ATOM 0 HB2 GLN A 75 19.837 11.171 -9.114 1.00 0.91 H new ATOM 0 HB3 GLN A 75 18.181 11.662 -8.819 1.00 0.91 H new ATOM 0 HG2 GLN A 75 19.906 13.935 -8.294 1.00 1.12 H new ATOM 0 HG3 GLN A 75 20.343 13.266 -9.854 1.00 1.12 H new ATOM 0 HE21 GLN A 75 19.032 13.855 -11.608 1.00 2.51 H new ATOM 0 HE22 GLN A 75 17.410 14.536 -11.445 1.00 2.51 H new ATOM 1172 N GLN A 76 18.913 9.572 -6.450 1.00 0.56 N ATOM 1173 CA GLN A 76 18.036 8.526 -5.853 1.00 0.46 C ATOM 1174 C GLN A 76 17.713 8.898 -4.404 1.00 0.53 C ATOM 1175 O GLN A 76 16.673 8.551 -3.882 1.00 0.55 O ATOM 1176 CB GLN A 76 18.750 7.174 -5.886 1.00 0.39 C ATOM 1177 CG GLN A 76 18.848 6.683 -7.331 1.00 0.81 C ATOM 1178 CD GLN A 76 17.604 5.861 -7.675 1.00 1.05 C ATOM 1179 OE1 GLN A 76 16.499 6.243 -7.344 1.00 2.27 O ATOM 1180 NE2 GLN A 76 17.738 4.740 -8.330 1.00 0.86 N ATOM 0 H GLN A 76 19.800 9.234 -6.824 1.00 0.56 H new ATOM 0 HA GLN A 76 17.112 8.459 -6.427 1.00 0.46 H new ATOM 0 HB2 GLN A 76 19.746 7.267 -5.454 1.00 0.39 H new ATOM 0 HB3 GLN A 76 18.206 6.449 -5.281 1.00 0.39 H new ATOM 0 HG2 GLN A 76 18.936 7.531 -8.010 1.00 0.81 H new ATOM 0 HG3 GLN A 76 19.745 6.077 -7.461 1.00 0.81 H new ATOM 0 HE21 GLN A 76 18.666 4.419 -8.608 1.00 0.86 H new ATOM 0 HE22 GLN A 76 16.915 4.185 -8.564 1.00 0.86 H new ATOM 1189 N PHE A 77 18.598 9.600 -3.749 1.00 0.61 N ATOM 1190 CA PHE A 77 18.340 9.993 -2.336 1.00 0.72 C ATOM 1191 C PHE A 77 17.044 10.806 -2.257 1.00 0.71 C ATOM 1192 O PHE A 77 16.185 10.546 -1.438 1.00 0.64 O ATOM 1193 CB PHE A 77 19.506 10.843 -1.823 1.00 1.00 C ATOM 1194 CG PHE A 77 20.581 9.941 -1.264 1.00 1.29 C ATOM 1195 CD1 PHE A 77 21.596 9.460 -2.098 1.00 2.42 C ATOM 1196 CD2 PHE A 77 20.562 9.589 0.091 1.00 1.27 C ATOM 1197 CE1 PHE A 77 22.594 8.626 -1.579 1.00 3.23 C ATOM 1198 CE2 PHE A 77 21.559 8.756 0.611 1.00 2.36 C ATOM 1199 CZ PHE A 77 22.574 8.274 -0.224 1.00 3.19 C ATOM 0 H PHE A 77 19.488 9.918 -4.132 1.00 0.61 H new ATOM 0 HA PHE A 77 18.243 9.097 -1.723 1.00 0.72 H new ATOM 0 HB2 PHE A 77 19.911 11.450 -2.633 1.00 1.00 H new ATOM 0 HB3 PHE A 77 19.157 11.531 -1.053 1.00 1.00 H new ATOM 0 HD1 PHE A 77 21.610 9.732 -3.143 1.00 2.42 H new ATOM 0 HD2 PHE A 77 19.778 9.960 0.735 1.00 1.27 H new ATOM 0 HE1 PHE A 77 23.378 8.255 -2.223 1.00 3.23 H new ATOM 0 HE2 PHE A 77 21.545 8.485 1.656 1.00 2.36 H new ATOM 0 HZ PHE A 77 23.342 7.630 0.177 1.00 3.19 H new ATOM 1209 N HIS A 78 16.897 11.792 -3.102 1.00 0.83 N ATOM 1210 CA HIS A 78 15.657 12.621 -3.074 1.00 0.91 C ATOM 1211 C HIS A 78 14.453 11.749 -3.437 1.00 0.73 C ATOM 1212 O HIS A 78 13.392 11.863 -2.857 1.00 0.74 O ATOM 1213 CB HIS A 78 15.790 13.763 -4.087 1.00 1.12 C ATOM 1214 CG HIS A 78 14.430 14.318 -4.412 1.00 1.75 C ATOM 1215 ND1 HIS A 78 13.585 13.718 -5.335 1.00 2.43 N ATOM 1216 CD2 HIS A 78 13.758 15.425 -3.954 1.00 2.02 C ATOM 1217 CE1 HIS A 78 12.464 14.462 -5.401 1.00 2.96 C ATOM 1218 NE2 HIS A 78 12.518 15.514 -4.580 1.00 2.67 N ATOM 0 H HIS A 78 17.581 12.059 -3.810 1.00 0.83 H new ATOM 0 HA HIS A 78 15.514 13.035 -2.076 1.00 0.91 H new ATOM 0 HB2 HIS A 78 16.426 14.549 -3.681 1.00 1.12 H new ATOM 0 HB3 HIS A 78 16.272 13.401 -4.995 1.00 1.12 H new ATOM 0 HD2 HIS A 78 14.135 16.121 -3.219 1.00 2.02 H new ATOM 0 HE1 HIS A 78 11.624 14.235 -6.040 1.00 2.96 H new ATOM 0 HE2 HIS A 78 11.804 16.229 -4.441 1.00 2.67 H new ATOM 1226 N ARG A 79 14.612 10.880 -4.393 1.00 0.62 N ATOM 1227 CA ARG A 79 13.481 9.998 -4.800 1.00 0.59 C ATOM 1228 C ARG A 79 13.143 9.006 -3.676 1.00 0.40 C ATOM 1229 O ARG A 79 12.086 8.407 -3.668 1.00 0.63 O ATOM 1230 CB ARG A 79 13.876 9.221 -6.058 1.00 0.60 C ATOM 1231 CG ARG A 79 13.149 9.803 -7.270 1.00 0.91 C ATOM 1232 CD ARG A 79 13.548 9.026 -8.526 1.00 1.35 C ATOM 1233 NE ARG A 79 14.214 9.948 -9.504 1.00 1.32 N ATOM 1234 CZ ARG A 79 13.661 11.076 -9.887 1.00 0.66 C ATOM 1235 NH1 ARG A 79 12.416 11.364 -9.597 1.00 0.92 N ATOM 1236 NH2 ARG A 79 14.345 11.897 -10.634 1.00 1.35 N ATOM 0 H ARG A 79 15.478 10.741 -4.913 1.00 0.62 H new ATOM 0 HA ARG A 79 12.605 10.615 -5.000 1.00 0.59 H new ATOM 0 HB2 ARG A 79 14.954 9.275 -6.208 1.00 0.60 H new ATOM 0 HB3 ARG A 79 13.623 8.167 -5.941 1.00 0.60 H new ATOM 0 HG2 ARG A 79 12.071 9.747 -7.122 1.00 0.91 H new ATOM 0 HG3 ARG A 79 13.400 10.857 -7.386 1.00 0.91 H new ATOM 0 HD2 ARG A 79 14.223 8.212 -8.262 1.00 1.35 H new ATOM 0 HD3 ARG A 79 12.666 8.574 -8.981 1.00 1.35 H new ATOM 0 HE ARG A 79 15.125 9.691 -9.884 1.00 1.32 H new ATOM 0 HH11 ARG A 79 11.852 10.705 -9.061 1.00 0.92 H new ATOM 0 HH12 ARG A 79 12.011 12.248 -9.907 1.00 0.92 H new ATOM 0 HH21 ARG A 79 15.297 11.660 -10.913 1.00 1.35 H new ATOM 0 HH22 ARG A 79 13.928 12.777 -10.939 1.00 1.35 H new ATOM 1250 N HIS A 80 14.028 8.820 -2.732 1.00 0.23 N ATOM 1251 CA HIS A 80 13.747 7.860 -1.625 1.00 0.22 C ATOM 1252 C HIS A 80 12.909 8.545 -0.539 1.00 0.25 C ATOM 1253 O HIS A 80 11.973 7.975 -0.014 1.00 0.20 O ATOM 1254 CB HIS A 80 15.073 7.386 -1.022 1.00 0.52 C ATOM 1255 CG HIS A 80 14.857 6.137 -0.207 1.00 0.49 C ATOM 1256 ND1 HIS A 80 13.624 5.506 -0.115 1.00 0.52 N ATOM 1257 CD2 HIS A 80 15.717 5.384 0.554 1.00 0.74 C ATOM 1258 CE1 HIS A 80 13.779 4.425 0.675 1.00 0.45 C ATOM 1259 NE2 HIS A 80 15.036 4.305 1.109 1.00 0.71 N ATOM 0 H HIS A 80 14.931 9.291 -2.680 1.00 0.23 H new ATOM 0 HA HIS A 80 13.193 7.008 -2.018 1.00 0.22 H new ATOM 0 HB2 HIS A 80 15.793 7.190 -1.817 1.00 0.52 H new ATOM 0 HB3 HIS A 80 15.496 8.170 -0.394 1.00 0.52 H new ATOM 0 HD2 HIS A 80 16.766 5.597 0.700 1.00 0.74 H new ATOM 0 HE1 HIS A 80 12.983 3.739 0.926 1.00 0.45 H new ATOM 0 HE2 HIS A 80 15.415 3.579 1.717 1.00 0.71 H new ATOM 1267 N LYS A 81 13.244 9.758 -0.188 1.00 0.41 N ATOM 1268 CA LYS A 81 12.470 10.466 0.874 1.00 0.54 C ATOM 1269 C LYS A 81 11.024 10.685 0.416 1.00 0.53 C ATOM 1270 O LYS A 81 10.113 10.737 1.217 1.00 0.63 O ATOM 1271 CB LYS A 81 13.123 11.820 1.168 1.00 0.64 C ATOM 1272 CG LYS A 81 12.142 12.712 1.935 1.00 1.97 C ATOM 1273 CD LYS A 81 12.898 13.524 2.988 1.00 1.71 C ATOM 1274 CE LYS A 81 12.260 13.296 4.359 1.00 2.81 C ATOM 1275 NZ LYS A 81 13.003 14.077 5.387 1.00 2.66 N ATOM 0 H LYS A 81 14.018 10.288 -0.589 1.00 0.41 H new ATOM 0 HA LYS A 81 12.469 9.856 1.777 1.00 0.54 H new ATOM 0 HB2 LYS A 81 14.032 11.677 1.752 1.00 0.64 H new ATOM 0 HB3 LYS A 81 13.416 12.303 0.236 1.00 0.64 H new ATOM 0 HG2 LYS A 81 11.629 13.382 1.245 1.00 1.97 H new ATOM 0 HG3 LYS A 81 11.377 12.100 2.414 1.00 1.97 H new ATOM 0 HD2 LYS A 81 13.947 13.227 3.009 1.00 1.71 H new ATOM 0 HD3 LYS A 81 12.872 14.584 2.734 1.00 1.71 H new ATOM 0 HE2 LYS A 81 11.214 13.601 4.341 1.00 2.81 H new ATOM 0 HE3 LYS A 81 12.278 12.235 4.609 1.00 2.81 H new ATOM 0 HZ1 LYS A 81 12.570 13.923 6.320 1.00 2.66 H new ATOM 0 HZ2 LYS A 81 13.995 13.765 5.410 1.00 2.66 H new ATOM 0 HZ3 LYS A 81 12.963 15.089 5.150 1.00 2.66 H new ATOM 1289 N GLN A 82 10.804 10.822 -0.861 1.00 0.45 N ATOM 1290 CA GLN A 82 9.413 11.047 -1.351 1.00 0.51 C ATOM 1291 C GLN A 82 8.614 9.744 -1.278 1.00 0.46 C ATOM 1292 O GLN A 82 7.405 9.754 -1.157 1.00 0.66 O ATOM 1293 CB GLN A 82 9.451 11.540 -2.799 1.00 0.52 C ATOM 1294 CG GLN A 82 8.021 11.760 -3.298 1.00 2.11 C ATOM 1295 CD GLN A 82 8.047 12.169 -4.771 1.00 2.24 C ATOM 1296 OE1 GLN A 82 8.357 11.367 -5.630 1.00 3.21 O ATOM 1297 NE2 GLN A 82 7.728 13.390 -5.105 1.00 1.72 N ATOM 0 H GLN A 82 11.522 10.788 -1.585 1.00 0.45 H new ATOM 0 HA GLN A 82 8.933 11.797 -0.722 1.00 0.51 H new ATOM 0 HB2 GLN A 82 10.018 12.469 -2.864 1.00 0.52 H new ATOM 0 HB3 GLN A 82 9.960 10.811 -3.430 1.00 0.52 H new ATOM 0 HG2 GLN A 82 7.438 10.848 -3.174 1.00 2.11 H new ATOM 0 HG3 GLN A 82 7.533 12.533 -2.704 1.00 2.11 H new ATOM 0 HE21 GLN A 82 7.468 14.064 -4.385 1.00 1.72 H new ATOM 0 HE22 GLN A 82 7.739 13.670 -6.086 1.00 1.72 H new ATOM 1306 N LEU A 83 9.273 8.620 -1.355 1.00 0.27 N ATOM 1307 CA LEU A 83 8.540 7.323 -1.294 1.00 0.25 C ATOM 1308 C LEU A 83 8.148 7.015 0.152 1.00 0.22 C ATOM 1309 O LEU A 83 7.104 6.454 0.415 1.00 0.26 O ATOM 1310 CB LEU A 83 9.446 6.206 -1.822 1.00 0.23 C ATOM 1311 CG LEU A 83 8.699 4.869 -1.783 1.00 0.34 C ATOM 1312 CD1 LEU A 83 8.300 4.466 -3.201 1.00 0.59 C ATOM 1313 CD2 LEU A 83 9.611 3.794 -1.186 1.00 0.33 C ATOM 0 H LEU A 83 10.285 8.543 -1.457 1.00 0.27 H new ATOM 0 HA LEU A 83 7.639 7.389 -1.904 1.00 0.25 H new ATOM 0 HB2 LEU A 83 9.757 6.429 -2.843 1.00 0.23 H new ATOM 0 HB3 LEU A 83 10.352 6.145 -1.219 1.00 0.23 H new ATOM 0 HG LEU A 83 7.804 4.971 -1.169 1.00 0.34 H new ATOM 0 HD11 LEU A 83 7.769 3.515 -3.173 1.00 0.59 H new ATOM 0 HD12 LEU A 83 7.652 5.231 -3.628 1.00 0.59 H new ATOM 0 HD13 LEU A 83 9.194 4.364 -3.816 1.00 0.59 H new ATOM 0 HD21 LEU A 83 9.081 2.842 -1.158 1.00 0.33 H new ATOM 0 HD22 LEU A 83 10.505 3.693 -1.801 1.00 0.33 H new ATOM 0 HD23 LEU A 83 9.897 4.080 -0.174 1.00 0.33 H new ATOM 1325 N ILE A 84 8.984 7.360 1.088 1.00 0.27 N ATOM 1326 CA ILE A 84 8.667 7.067 2.514 1.00 0.29 C ATOM 1327 C ILE A 84 7.542 7.983 2.990 1.00 0.29 C ATOM 1328 O ILE A 84 6.692 7.587 3.757 1.00 0.31 O ATOM 1329 CB ILE A 84 9.912 7.301 3.366 1.00 0.29 C ATOM 1330 CG1 ILE A 84 10.782 6.038 3.365 1.00 0.85 C ATOM 1331 CG2 ILE A 84 9.489 7.623 4.800 1.00 1.03 C ATOM 1332 CD1 ILE A 84 10.777 5.395 1.974 1.00 0.60 C ATOM 0 H ILE A 84 9.874 7.832 0.929 1.00 0.27 H new ATOM 0 HA ILE A 84 8.348 6.029 2.609 1.00 0.29 H new ATOM 0 HB ILE A 84 10.482 8.134 2.954 1.00 0.29 H new ATOM 0 HG12 ILE A 84 11.802 6.290 3.654 1.00 0.85 H new ATOM 0 HG13 ILE A 84 10.408 5.329 4.103 1.00 0.85 H new ATOM 0 HG21 ILE A 84 10.375 7.791 5.412 1.00 1.03 H new ATOM 0 HG22 ILE A 84 8.870 8.520 4.804 1.00 1.03 H new ATOM 0 HG23 ILE A 84 8.920 6.788 5.208 1.00 1.03 H new ATOM 0 HD11 ILE A 84 11.398 4.499 1.985 1.00 0.60 H new ATOM 0 HD12 ILE A 84 9.757 5.126 1.701 1.00 0.60 H new ATOM 0 HD13 ILE A 84 11.173 6.102 1.245 1.00 0.60 H new ATOM 1344 N ARG A 85 7.532 9.206 2.543 1.00 0.30 N ATOM 1345 CA ARG A 85 6.456 10.147 2.971 1.00 0.32 C ATOM 1346 C ARG A 85 5.114 9.672 2.409 1.00 0.31 C ATOM 1347 O ARG A 85 4.154 9.468 3.132 1.00 0.24 O ATOM 1348 CB ARG A 85 6.760 11.547 2.432 1.00 0.34 C ATOM 1349 CG ARG A 85 6.650 12.568 3.567 1.00 0.68 C ATOM 1350 CD ARG A 85 7.613 13.730 3.307 1.00 0.52 C ATOM 1351 NE ARG A 85 6.952 15.021 3.664 1.00 1.38 N ATOM 1352 CZ ARG A 85 7.657 16.119 3.826 1.00 1.39 C ATOM 1353 NH1 ARG A 85 8.962 16.119 3.684 1.00 0.92 N ATOM 1354 NH2 ARG A 85 7.048 17.232 4.137 1.00 2.14 N ATOM 0 H ARG A 85 8.221 9.597 1.900 1.00 0.30 H new ATOM 0 HA ARG A 85 6.410 10.176 4.060 1.00 0.32 H new ATOM 0 HB2 ARG A 85 7.761 11.573 2.002 1.00 0.34 H new ATOM 0 HB3 ARG A 85 6.063 11.800 1.633 1.00 0.34 H new ATOM 0 HG2 ARG A 85 5.627 12.939 3.638 1.00 0.68 H new ATOM 0 HG3 ARG A 85 6.885 12.094 4.520 1.00 0.68 H new ATOM 0 HD2 ARG A 85 8.522 13.601 3.895 1.00 0.52 H new ATOM 0 HD3 ARG A 85 7.911 13.741 2.259 1.00 0.52 H new ATOM 0 HE ARG A 85 5.940 15.051 3.784 1.00 1.38 H new ATOM 0 HH11 ARG A 85 9.449 15.256 3.443 1.00 0.92 H new ATOM 0 HH12 ARG A 85 9.489 16.982 3.814 1.00 0.92 H new ATOM 0 HH21 ARG A 85 6.035 17.244 4.252 1.00 2.14 H new ATOM 0 HH22 ARG A 85 7.586 18.089 4.265 1.00 2.14 H new ATOM 1368 N PHE A 86 5.044 9.503 1.119 1.00 0.42 N ATOM 1369 CA PHE A 86 3.775 9.051 0.479 1.00 0.41 C ATOM 1370 C PHE A 86 3.256 7.787 1.174 1.00 0.41 C ATOM 1371 O PHE A 86 2.080 7.658 1.450 1.00 0.42 O ATOM 1372 CB PHE A 86 4.041 8.733 -0.997 1.00 0.39 C ATOM 1373 CG PHE A 86 3.455 9.806 -1.888 1.00 0.51 C ATOM 1374 CD1 PHE A 86 2.145 10.259 -1.685 1.00 1.13 C ATOM 1375 CD2 PHE A 86 4.223 10.338 -2.931 1.00 0.86 C ATOM 1376 CE1 PHE A 86 1.606 11.244 -2.521 1.00 1.24 C ATOM 1377 CE2 PHE A 86 3.683 11.321 -3.767 1.00 1.00 C ATOM 1378 CZ PHE A 86 2.375 11.775 -3.563 1.00 0.89 C ATOM 0 H PHE A 86 5.818 9.660 0.474 1.00 0.42 H new ATOM 0 HA PHE A 86 3.030 9.842 0.566 1.00 0.41 H new ATOM 0 HB2 PHE A 86 5.114 8.656 -1.170 1.00 0.39 H new ATOM 0 HB3 PHE A 86 3.607 7.766 -1.250 1.00 0.39 H new ATOM 0 HD1 PHE A 86 1.550 9.848 -0.883 1.00 1.13 H new ATOM 0 HD2 PHE A 86 5.233 9.989 -3.090 1.00 0.86 H new ATOM 0 HE1 PHE A 86 0.597 11.594 -2.362 1.00 1.24 H new ATOM 0 HE2 PHE A 86 4.276 11.730 -4.571 1.00 1.00 H new ATOM 0 HZ PHE A 86 1.959 12.534 -4.209 1.00 0.89 H new ATOM 1388 N LEU A 87 4.120 6.849 1.442 1.00 0.43 N ATOM 1389 CA LEU A 87 3.670 5.591 2.101 1.00 0.44 C ATOM 1390 C LEU A 87 3.173 5.878 3.519 1.00 0.36 C ATOM 1391 O LEU A 87 2.248 5.252 3.997 1.00 0.28 O ATOM 1392 CB LEU A 87 4.837 4.609 2.165 1.00 0.50 C ATOM 1393 CG LEU A 87 4.294 3.185 2.115 1.00 0.84 C ATOM 1394 CD1 LEU A 87 5.370 2.251 1.565 1.00 1.14 C ATOM 1395 CD2 LEU A 87 3.901 2.743 3.526 1.00 1.51 C ATOM 0 H LEU A 87 5.117 6.898 1.234 1.00 0.43 H new ATOM 0 HA LEU A 87 2.853 5.163 1.521 1.00 0.44 H new ATOM 0 HB2 LEU A 87 5.519 4.781 1.332 1.00 0.50 H new ATOM 0 HB3 LEU A 87 5.407 4.762 3.081 1.00 0.50 H new ATOM 0 HG LEU A 87 3.418 3.149 1.467 1.00 0.84 H new ATOM 0 HD11 LEU A 87 4.984 1.232 1.529 1.00 1.14 H new ATOM 0 HD12 LEU A 87 5.649 2.569 0.561 1.00 1.14 H new ATOM 0 HD13 LEU A 87 6.246 2.284 2.213 1.00 1.14 H new ATOM 0 HD21 LEU A 87 3.512 1.725 3.493 1.00 1.51 H new ATOM 0 HD22 LEU A 87 4.776 2.777 4.175 1.00 1.51 H new ATOM 0 HD23 LEU A 87 3.134 3.412 3.916 1.00 1.51 H new ATOM 1407 N LYS A 88 3.773 6.813 4.199 1.00 0.37 N ATOM 1408 CA LYS A 88 3.323 7.124 5.583 1.00 0.30 C ATOM 1409 C LYS A 88 1.847 7.511 5.545 1.00 0.26 C ATOM 1410 O LYS A 88 1.086 7.198 6.438 1.00 0.17 O ATOM 1411 CB LYS A 88 4.146 8.286 6.145 1.00 0.41 C ATOM 1412 CG LYS A 88 5.236 7.742 7.070 1.00 0.42 C ATOM 1413 CD LYS A 88 5.443 8.711 8.236 1.00 0.89 C ATOM 1414 CE LYS A 88 4.353 8.487 9.288 1.00 2.52 C ATOM 1415 NZ LYS A 88 4.986 8.210 10.609 1.00 2.88 N ATOM 0 H LYS A 88 4.553 7.374 3.858 1.00 0.37 H new ATOM 0 HA LYS A 88 3.461 6.251 6.221 1.00 0.30 H new ATOM 0 HB2 LYS A 88 4.596 8.854 5.331 1.00 0.41 H new ATOM 0 HB3 LYS A 88 3.499 8.972 6.692 1.00 0.41 H new ATOM 0 HG2 LYS A 88 4.952 6.759 7.446 1.00 0.42 H new ATOM 0 HG3 LYS A 88 6.167 7.616 6.518 1.00 0.42 H new ATOM 0 HD2 LYS A 88 6.427 8.558 8.679 1.00 0.89 H new ATOM 0 HD3 LYS A 88 5.411 9.740 7.877 1.00 0.89 H new ATOM 0 HE2 LYS A 88 3.713 9.367 9.357 1.00 2.52 H new ATOM 0 HE3 LYS A 88 3.717 7.652 8.996 1.00 2.52 H new ATOM 0 HZ1 LYS A 88 4.246 8.058 11.324 1.00 2.88 H new ATOM 0 HZ2 LYS A 88 5.579 7.359 10.538 1.00 2.88 H new ATOM 0 HZ3 LYS A 88 5.575 9.020 10.888 1.00 2.88 H new ATOM 1429 N ARG A 89 1.438 8.190 4.511 1.00 0.40 N ATOM 1430 CA ARG A 89 0.010 8.599 4.402 1.00 0.49 C ATOM 1431 C ARG A 89 -0.855 7.370 4.113 1.00 0.47 C ATOM 1432 O ARG A 89 -1.916 7.198 4.676 1.00 0.54 O ATOM 1433 CB ARG A 89 -0.144 9.599 3.254 1.00 0.60 C ATOM 1434 CG ARG A 89 -0.222 11.022 3.811 1.00 0.72 C ATOM 1435 CD ARG A 89 -1.296 11.812 3.057 1.00 0.81 C ATOM 1436 NE ARG A 89 -0.639 12.760 2.109 1.00 0.77 N ATOM 1437 CZ ARG A 89 -1.316 13.317 1.130 1.00 0.49 C ATOM 1438 NH1 ARG A 89 -2.586 13.048 0.938 1.00 1.75 N ATOM 1439 NH2 ARG A 89 -0.711 14.150 0.326 1.00 1.03 N ATOM 0 H ARG A 89 2.032 8.480 3.734 1.00 0.40 H new ATOM 0 HA ARG A 89 -0.307 9.058 5.339 1.00 0.49 H new ATOM 0 HB2 ARG A 89 0.700 9.513 2.569 1.00 0.60 H new ATOM 0 HB3 ARG A 89 -1.044 9.373 2.681 1.00 0.60 H new ATOM 0 HG2 ARG A 89 -0.457 10.994 4.875 1.00 0.72 H new ATOM 0 HG3 ARG A 89 0.744 11.516 3.711 1.00 0.72 H new ATOM 0 HD2 ARG A 89 -1.950 11.130 2.513 1.00 0.81 H new ATOM 0 HD3 ARG A 89 -1.922 12.360 3.761 1.00 0.81 H new ATOM 0 HE ARG A 89 0.351 12.979 2.223 1.00 0.77 H new ATOM 0 HH11 ARG A 89 -3.068 12.395 1.555 1.00 1.75 H new ATOM 0 HH12 ARG A 89 -3.091 13.492 0.171 1.00 1.75 H new ATOM 0 HH21 ARG A 89 0.277 14.362 0.461 1.00 1.03 H new ATOM 0 HH22 ARG A 89 -1.227 14.588 -0.437 1.00 1.03 H new ATOM 1453 N LEU A 90 -0.414 6.526 3.223 1.00 0.40 N ATOM 1454 CA LEU A 90 -1.210 5.314 2.867 1.00 0.44 C ATOM 1455 C LEU A 90 -1.310 4.347 4.053 1.00 0.39 C ATOM 1456 O LEU A 90 -2.156 3.476 4.074 1.00 0.40 O ATOM 1457 CB LEU A 90 -0.524 4.589 1.703 1.00 0.45 C ATOM 1458 CG LEU A 90 -1.432 4.573 0.469 1.00 0.58 C ATOM 1459 CD1 LEU A 90 -2.732 3.825 0.781 1.00 1.35 C ATOM 1460 CD2 LEU A 90 -1.747 6.009 0.045 1.00 2.38 C ATOM 0 H LEU A 90 0.469 6.623 2.722 1.00 0.40 H new ATOM 0 HA LEU A 90 -2.214 5.634 2.590 1.00 0.44 H new ATOM 0 HB2 LEU A 90 0.417 5.084 1.463 1.00 0.45 H new ATOM 0 HB3 LEU A 90 -0.281 3.568 1.996 1.00 0.45 H new ATOM 0 HG LEU A 90 -0.919 4.061 -0.345 1.00 0.58 H new ATOM 0 HD11 LEU A 90 -3.370 3.820 -0.103 1.00 1.35 H new ATOM 0 HD12 LEU A 90 -2.502 2.799 1.068 1.00 1.35 H new ATOM 0 HD13 LEU A 90 -3.251 4.323 1.600 1.00 1.35 H new ATOM 0 HD21 LEU A 90 -2.393 5.996 -0.833 1.00 2.38 H new ATOM 0 HD22 LEU A 90 -2.253 6.526 0.860 1.00 2.38 H new ATOM 0 HD23 LEU A 90 -0.820 6.529 -0.195 1.00 2.38 H new ATOM 1472 N ASP A 91 -0.451 4.466 5.026 1.00 0.35 N ATOM 1473 CA ASP A 91 -0.507 3.517 6.175 1.00 0.34 C ATOM 1474 C ASP A 91 -1.650 3.881 7.125 1.00 0.19 C ATOM 1475 O ASP A 91 -2.635 3.176 7.223 1.00 0.41 O ATOM 1476 CB ASP A 91 0.820 3.562 6.936 1.00 0.43 C ATOM 1477 CG ASP A 91 0.791 2.538 8.073 1.00 0.64 C ATOM 1478 OD1 ASP A 91 1.016 1.371 7.797 1.00 1.24 O ATOM 1479 OD2 ASP A 91 0.540 2.937 9.198 1.00 1.09 O ATOM 0 H ASP A 91 0.282 5.173 5.077 1.00 0.35 H new ATOM 0 HA ASP A 91 -0.682 2.513 5.789 1.00 0.34 H new ATOM 0 HB2 ASP A 91 1.647 3.347 6.259 1.00 0.43 H new ATOM 0 HB3 ASP A 91 0.988 4.562 7.337 1.00 0.43 H new ATOM 1484 N ARG A 92 -1.520 4.959 7.843 1.00 0.50 N ATOM 1485 CA ARG A 92 -2.587 5.349 8.805 1.00 0.57 C ATOM 1486 C ARG A 92 -3.903 5.630 8.072 1.00 0.62 C ATOM 1487 O ARG A 92 -4.968 5.535 8.646 1.00 0.72 O ATOM 1488 CB ARG A 92 -2.148 6.605 9.560 1.00 0.59 C ATOM 1489 CG ARG A 92 -1.999 6.283 11.049 1.00 0.96 C ATOM 1490 CD ARG A 92 -0.587 5.764 11.322 1.00 2.29 C ATOM 1491 NE ARG A 92 -0.666 4.456 12.045 1.00 2.94 N ATOM 1492 CZ ARG A 92 -1.378 4.313 13.139 1.00 2.78 C ATOM 1493 NH1 ARG A 92 -1.855 5.353 13.782 1.00 1.78 N ATOM 1494 NH2 ARG A 92 -1.552 3.119 13.634 1.00 4.08 N ATOM 0 H ARG A 92 -0.719 5.589 7.806 1.00 0.50 H new ATOM 0 HA ARG A 92 -2.747 4.528 9.503 1.00 0.57 H new ATOM 0 HB2 ARG A 92 -1.202 6.970 9.160 1.00 0.59 H new ATOM 0 HB3 ARG A 92 -2.881 7.400 9.421 1.00 0.59 H new ATOM 0 HG2 ARG A 92 -2.191 7.175 11.645 1.00 0.96 H new ATOM 0 HG3 ARG A 92 -2.736 5.536 11.346 1.00 0.96 H new ATOM 0 HD2 ARG A 92 -0.046 5.641 10.384 1.00 2.29 H new ATOM 0 HD3 ARG A 92 -0.031 6.488 11.918 1.00 2.29 H new ATOM 0 HE ARG A 92 -0.153 3.654 11.678 1.00 2.94 H new ATOM 0 HH11 ARG A 92 -1.675 6.295 13.434 1.00 1.78 H new ATOM 0 HH12 ARG A 92 -2.406 5.220 14.630 1.00 1.78 H new ATOM 0 HH21 ARG A 92 -1.137 2.310 13.172 1.00 4.08 H new ATOM 0 HH22 ARG A 92 -2.103 2.994 14.483 1.00 4.08 H new ATOM 1508 N ASN A 93 -3.851 5.985 6.818 1.00 0.57 N ATOM 1509 CA ASN A 93 -5.117 6.282 6.085 1.00 0.64 C ATOM 1510 C ASN A 93 -5.757 4.991 5.565 1.00 0.67 C ATOM 1511 O ASN A 93 -6.957 4.914 5.400 1.00 0.61 O ATOM 1512 CB ASN A 93 -4.825 7.215 4.909 1.00 0.59 C ATOM 1513 CG ASN A 93 -4.349 8.569 5.437 1.00 1.00 C ATOM 1514 OD1 ASN A 93 -3.870 8.665 6.549 1.00 2.07 O ATOM 1515 ND2 ASN A 93 -4.463 9.629 4.683 1.00 0.70 N ATOM 0 H ASN A 93 -2.995 6.082 6.272 1.00 0.57 H new ATOM 0 HA ASN A 93 -5.811 6.764 6.774 1.00 0.64 H new ATOM 0 HB2 ASN A 93 -4.064 6.777 4.264 1.00 0.59 H new ATOM 0 HB3 ASN A 93 -5.721 7.344 4.302 1.00 0.59 H new ATOM 0 HD21 ASN A 93 -4.150 10.536 5.028 1.00 0.70 H new ATOM 0 HD22 ASN A 93 -4.865 9.550 3.749 1.00 0.70 H new ATOM 1522 N LEU A 94 -4.977 3.981 5.295 1.00 0.76 N ATOM 1523 CA LEU A 94 -5.571 2.714 4.778 1.00 0.80 C ATOM 1524 C LEU A 94 -6.516 2.111 5.821 1.00 0.77 C ATOM 1525 O LEU A 94 -7.704 1.994 5.601 1.00 0.72 O ATOM 1526 CB LEU A 94 -4.465 1.706 4.473 1.00 1.03 C ATOM 1527 CG LEU A 94 -4.233 1.645 2.964 1.00 0.76 C ATOM 1528 CD1 LEU A 94 -2.926 0.904 2.677 1.00 2.20 C ATOM 1529 CD2 LEU A 94 -5.394 0.899 2.304 1.00 1.32 C ATOM 0 H LEU A 94 -3.963 3.976 5.408 1.00 0.76 H new ATOM 0 HA LEU A 94 -6.127 2.939 3.868 1.00 0.80 H new ATOM 0 HB2 LEU A 94 -3.545 1.994 4.982 1.00 1.03 H new ATOM 0 HB3 LEU A 94 -4.742 0.721 4.849 1.00 1.03 H new ATOM 0 HG LEU A 94 -4.172 2.657 2.564 1.00 0.76 H new ATOM 0 HD11 LEU A 94 -2.761 0.861 1.600 1.00 2.20 H new ATOM 0 HD12 LEU A 94 -2.097 1.431 3.150 1.00 2.20 H new ATOM 0 HD13 LEU A 94 -2.987 -0.109 3.076 1.00 2.20 H new ATOM 0 HD21 LEU A 94 -5.232 0.853 1.227 1.00 1.32 H new ATOM 0 HD22 LEU A 94 -5.451 -0.113 2.705 1.00 1.32 H new ATOM 0 HD23 LEU A 94 -6.327 1.424 2.509 1.00 1.32 H new ATOM 1541 N TRP A 95 -5.992 1.711 6.948 1.00 0.85 N ATOM 1542 CA TRP A 95 -6.856 1.093 7.996 1.00 0.88 C ATOM 1543 C TRP A 95 -7.472 2.167 8.895 1.00 0.82 C ATOM 1544 O TRP A 95 -8.462 1.930 9.554 1.00 0.89 O ATOM 1545 CB TRP A 95 -6.020 0.150 8.846 1.00 1.05 C ATOM 1546 CG TRP A 95 -5.385 0.911 9.956 1.00 0.64 C ATOM 1547 CD1 TRP A 95 -4.339 1.747 9.812 1.00 0.91 C ATOM 1548 CD2 TRP A 95 -5.732 0.924 11.370 1.00 0.96 C ATOM 1549 NE1 TRP A 95 -4.011 2.273 11.048 1.00 1.33 N ATOM 1550 CE2 TRP A 95 -4.842 1.794 12.043 1.00 1.02 C ATOM 1551 CE3 TRP A 95 -6.720 0.269 12.129 1.00 1.69 C ATOM 1552 CZ2 TRP A 95 -4.928 2.007 13.419 1.00 1.29 C ATOM 1553 CZ3 TRP A 95 -6.811 0.483 13.514 1.00 1.88 C ATOM 1554 CH2 TRP A 95 -5.917 1.349 14.157 1.00 1.49 C ATOM 0 H TRP A 95 -5.004 1.785 7.189 1.00 0.85 H new ATOM 0 HA TRP A 95 -7.660 0.545 7.504 1.00 0.88 H new ATOM 0 HB2 TRP A 95 -6.647 -0.646 9.249 1.00 1.05 H new ATOM 0 HB3 TRP A 95 -5.255 -0.326 8.233 1.00 1.05 H new ATOM 0 HD1 TRP A 95 -3.838 1.970 8.882 1.00 0.91 H new ATOM 0 HE1 TRP A 95 -3.250 2.933 11.206 1.00 1.33 H new ATOM 0 HE3 TRP A 95 -7.413 -0.402 11.643 1.00 1.69 H new ATOM 0 HZ2 TRP A 95 -4.236 2.675 13.911 1.00 1.29 H new ATOM 0 HZ3 TRP A 95 -7.574 -0.023 14.087 1.00 1.88 H new ATOM 0 HH2 TRP A 95 -5.992 1.508 15.223 1.00 1.49 H new ATOM 1565 N GLY A 96 -6.899 3.339 8.932 1.00 0.81 N ATOM 1566 CA GLY A 96 -7.472 4.423 9.789 1.00 0.88 C ATOM 1567 C GLY A 96 -8.964 4.568 9.473 1.00 0.94 C ATOM 1568 O GLY A 96 -9.764 4.907 10.322 1.00 1.07 O ATOM 0 H GLY A 96 -6.062 3.595 8.409 1.00 0.81 H new ATOM 0 HA2 GLY A 96 -7.331 4.184 10.843 1.00 0.88 H new ATOM 0 HA3 GLY A 96 -6.954 5.364 9.603 1.00 0.88 H new ATOM 1572 N LEU A 97 -9.339 4.289 8.255 1.00 0.91 N ATOM 1573 CA LEU A 97 -10.772 4.379 7.862 1.00 1.02 C ATOM 1574 C LEU A 97 -11.435 3.019 8.111 1.00 0.92 C ATOM 1575 O LEU A 97 -12.611 2.930 8.403 1.00 0.99 O ATOM 1576 CB LEU A 97 -10.851 4.744 6.373 1.00 1.16 C ATOM 1577 CG LEU A 97 -12.242 4.434 5.812 1.00 0.71 C ATOM 1578 CD1 LEU A 97 -13.291 5.268 6.545 1.00 2.25 C ATOM 1579 CD2 LEU A 97 -12.269 4.783 4.324 1.00 0.58 C ATOM 0 H LEU A 97 -8.707 4.000 7.509 1.00 0.91 H new ATOM 0 HA LEU A 97 -11.287 5.142 8.446 1.00 1.02 H new ATOM 0 HB2 LEU A 97 -10.628 5.803 6.241 1.00 1.16 H new ATOM 0 HB3 LEU A 97 -10.097 4.187 5.817 1.00 1.16 H new ATOM 0 HG LEU A 97 -12.463 3.376 5.950 1.00 0.71 H new ATOM 0 HD11 LEU A 97 -14.279 5.045 6.143 1.00 2.25 H new ATOM 0 HD12 LEU A 97 -13.269 5.028 7.608 1.00 2.25 H new ATOM 0 HD13 LEU A 97 -13.074 6.327 6.408 1.00 2.25 H new ATOM 0 HD21 LEU A 97 -13.256 4.565 3.917 1.00 0.58 H new ATOM 0 HD22 LEU A 97 -12.049 5.843 4.195 1.00 0.58 H new ATOM 0 HD23 LEU A 97 -11.521 4.190 3.798 1.00 0.58 H new ATOM 1591 N ALA A 98 -10.680 1.958 7.993 1.00 0.79 N ATOM 1592 CA ALA A 98 -11.245 0.600 8.215 1.00 0.79 C ATOM 1593 C ALA A 98 -11.734 0.473 9.657 1.00 0.74 C ATOM 1594 O ALA A 98 -12.918 0.427 9.926 1.00 1.08 O ATOM 1595 CB ALA A 98 -10.148 -0.439 7.964 1.00 0.67 C ATOM 0 H ALA A 98 -9.689 1.977 7.750 1.00 0.79 H new ATOM 0 HA ALA A 98 -12.081 0.437 7.535 1.00 0.79 H new ATOM 0 HB1 ALA A 98 -10.551 -1.439 8.124 1.00 0.67 H new ATOM 0 HB2 ALA A 98 -9.792 -0.351 6.938 1.00 0.67 H new ATOM 0 HB3 ALA A 98 -9.320 -0.267 8.652 1.00 0.67 H new ATOM 1601 N GLY A 99 -10.825 0.403 10.584 1.00 0.52 N ATOM 1602 CA GLY A 99 -11.218 0.266 12.014 1.00 0.58 C ATOM 1603 C GLY A 99 -10.855 -1.139 12.495 1.00 0.52 C ATOM 1604 O GLY A 99 -11.540 -1.726 13.310 1.00 0.83 O ATOM 0 H GLY A 99 -9.820 0.435 10.414 1.00 0.52 H new ATOM 0 HA2 GLY A 99 -10.707 1.015 12.619 1.00 0.58 H new ATOM 0 HA3 GLY A 99 -12.288 0.439 12.129 1.00 0.58 H new ATOM 1608 N LEU A 100 -9.778 -1.681 11.995 1.00 0.46 N ATOM 1609 CA LEU A 100 -9.360 -3.046 12.416 1.00 0.68 C ATOM 1610 C LEU A 100 -7.878 -3.022 12.796 1.00 1.01 C ATOM 1611 O LEU A 100 -7.011 -3.145 11.956 1.00 1.98 O ATOM 1612 CB LEU A 100 -9.579 -4.024 11.261 1.00 1.14 C ATOM 1613 CG LEU A 100 -10.584 -5.091 11.684 1.00 1.30 C ATOM 1614 CD1 LEU A 100 -10.013 -5.892 12.853 1.00 1.98 C ATOM 1615 CD2 LEU A 100 -11.889 -4.415 12.113 1.00 2.12 C ATOM 0 H LEU A 100 -9.168 -1.234 11.310 1.00 0.46 H new ATOM 0 HA LEU A 100 -9.952 -3.365 13.274 1.00 0.68 H new ATOM 0 HB2 LEU A 100 -9.945 -3.491 10.383 1.00 1.14 H new ATOM 0 HB3 LEU A 100 -8.634 -4.490 10.980 1.00 1.14 H new ATOM 0 HG LEU A 100 -10.780 -5.762 10.848 1.00 1.30 H new ATOM 0 HD11 LEU A 100 -10.730 -6.655 13.156 1.00 1.98 H new ATOM 0 HD12 LEU A 100 -9.083 -6.370 12.546 1.00 1.98 H new ATOM 0 HD13 LEU A 100 -9.818 -5.223 13.692 1.00 1.98 H new ATOM 0 HD21 LEU A 100 -12.610 -5.175 12.416 1.00 2.12 H new ATOM 0 HD22 LEU A 100 -11.694 -3.745 12.951 1.00 2.12 H new ATOM 0 HD23 LEU A 100 -12.294 -3.843 11.278 1.00 2.12 H new ATOM 1627 N ASN A 101 -7.584 -2.858 14.056 1.00 0.71 N ATOM 1628 CA ASN A 101 -6.160 -2.820 14.491 1.00 1.30 C ATOM 1629 C ASN A 101 -5.580 -4.236 14.484 1.00 0.82 C ATOM 1630 O ASN A 101 -4.645 -4.529 13.767 1.00 1.19 O ATOM 1631 CB ASN A 101 -6.080 -2.237 15.903 1.00 1.99 C ATOM 1632 CG ASN A 101 -4.737 -2.605 16.535 1.00 2.94 C ATOM 1633 OD1 ASN A 101 -4.565 -3.700 17.034 1.00 3.30 O ATOM 1634 ND2 ASN A 101 -3.770 -1.729 16.538 1.00 3.94 N ATOM 0 H ASN A 101 -8.269 -2.749 14.804 1.00 0.71 H new ATOM 0 HA ASN A 101 -5.586 -2.197 13.806 1.00 1.30 H new ATOM 0 HB2 ASN A 101 -6.191 -1.153 15.867 1.00 1.99 H new ATOM 0 HB3 ASN A 101 -6.898 -2.621 16.513 1.00 1.99 H new ATOM 0 HD21 ASN A 101 -2.871 -1.963 16.959 1.00 3.94 H new ATOM 0 HD22 ASN A 101 -3.913 -0.810 16.120 1.00 3.94 H new ATOM 1641 N SER A 102 -6.129 -5.115 15.276 1.00 0.29 N ATOM 1642 CA SER A 102 -5.606 -6.509 15.313 1.00 0.83 C ATOM 1643 C SER A 102 -5.786 -7.158 13.938 1.00 0.71 C ATOM 1644 O SER A 102 -6.879 -7.511 13.545 1.00 0.85 O ATOM 1645 CB SER A 102 -6.373 -7.316 16.362 1.00 1.30 C ATOM 1646 OG SER A 102 -5.445 -7.945 17.235 1.00 1.52 O ATOM 0 H SER A 102 -6.916 -4.929 15.898 1.00 0.29 H new ATOM 0 HA SER A 102 -4.547 -6.492 15.572 1.00 0.83 H new ATOM 0 HB2 SER A 102 -7.037 -6.662 16.927 1.00 1.30 H new ATOM 0 HB3 SER A 102 -6.999 -8.064 15.877 1.00 1.30 H new ATOM 0 HG SER A 102 -5.931 -8.462 17.911 1.00 1.52 H new ATOM 1652 N CYS A 103 -4.718 -7.319 13.206 1.00 0.52 N ATOM 1653 CA CYS A 103 -4.824 -7.946 11.861 1.00 0.40 C ATOM 1654 C CYS A 103 -3.628 -8.873 11.650 1.00 0.41 C ATOM 1655 O CYS A 103 -2.727 -8.561 10.898 1.00 0.29 O ATOM 1656 CB CYS A 103 -4.825 -6.858 10.786 1.00 0.31 C ATOM 1657 SG CYS A 103 -6.390 -5.948 10.846 1.00 0.98 S ATOM 0 H CYS A 103 -3.776 -7.043 13.483 1.00 0.52 H new ATOM 0 HA CYS A 103 -5.750 -8.517 11.793 1.00 0.40 H new ATOM 0 HB2 CYS A 103 -3.990 -6.176 10.944 1.00 0.31 H new ATOM 0 HB3 CYS A 103 -4.690 -7.305 9.801 1.00 0.31 H new ATOM 1662 N PRO A 104 -3.662 -9.985 12.333 1.00 0.58 N ATOM 1663 CA PRO A 104 -2.593 -10.997 12.262 1.00 0.65 C ATOM 1664 C PRO A 104 -2.416 -11.483 10.823 1.00 0.60 C ATOM 1665 O PRO A 104 -3.006 -12.462 10.410 1.00 0.76 O ATOM 1666 CB PRO A 104 -3.075 -12.139 13.168 1.00 0.84 C ATOM 1667 CG PRO A 104 -4.438 -11.718 13.772 1.00 0.88 C ATOM 1668 CD PRO A 104 -4.779 -10.321 13.229 1.00 0.72 C ATOM 0 HA PRO A 104 -1.627 -10.605 12.579 1.00 0.65 H new ATOM 0 HB2 PRO A 104 -3.178 -13.062 12.598 1.00 0.84 H new ATOM 0 HB3 PRO A 104 -2.350 -12.332 13.958 1.00 0.84 H new ATOM 0 HG2 PRO A 104 -5.214 -12.434 13.500 1.00 0.88 H new ATOM 0 HG3 PRO A 104 -4.385 -11.703 14.861 1.00 0.88 H new ATOM 0 HD2 PRO A 104 -5.728 -10.325 12.694 1.00 0.72 H new ATOM 0 HD3 PRO A 104 -4.871 -9.594 14.036 1.00 0.72 H new ATOM 1676 N VAL A 105 -1.604 -10.808 10.058 1.00 0.40 N ATOM 1677 CA VAL A 105 -1.387 -11.230 8.646 1.00 0.36 C ATOM 1678 C VAL A 105 -0.496 -12.473 8.620 1.00 0.43 C ATOM 1679 O VAL A 105 0.637 -12.447 9.058 1.00 0.57 O ATOM 1680 CB VAL A 105 -0.710 -10.096 7.872 1.00 0.14 C ATOM 1681 CG1 VAL A 105 0.641 -9.769 8.512 1.00 1.22 C ATOM 1682 CG2 VAL A 105 -0.493 -10.531 6.421 1.00 1.19 C ATOM 0 H VAL A 105 -1.081 -9.982 10.350 1.00 0.40 H new ATOM 0 HA VAL A 105 -2.346 -11.461 8.182 1.00 0.36 H new ATOM 0 HB VAL A 105 -1.345 -9.211 7.899 1.00 0.14 H new ATOM 0 HG11 VAL A 105 1.120 -8.961 7.958 1.00 1.22 H new ATOM 0 HG12 VAL A 105 0.488 -9.459 9.546 1.00 1.22 H new ATOM 0 HG13 VAL A 105 1.278 -10.653 8.488 1.00 1.22 H new ATOM 0 HG21 VAL A 105 -0.011 -9.725 5.868 1.00 1.19 H new ATOM 0 HG22 VAL A 105 0.141 -11.417 6.398 1.00 1.19 H new ATOM 0 HG23 VAL A 105 -1.455 -10.761 5.962 1.00 1.19 H new ATOM 1692 N LYS A 106 -0.993 -13.568 8.113 1.00 0.46 N ATOM 1693 CA LYS A 106 -0.159 -14.801 8.070 1.00 0.58 C ATOM 1694 C LYS A 106 -0.852 -15.876 7.227 1.00 0.54 C ATOM 1695 O LYS A 106 -1.046 -16.993 7.662 1.00 1.35 O ATOM 1696 CB LYS A 106 0.054 -15.323 9.494 1.00 1.17 C ATOM 1697 CG LYS A 106 1.008 -16.522 9.469 1.00 1.68 C ATOM 1698 CD LYS A 106 2.420 -16.067 9.841 1.00 2.57 C ATOM 1699 CE LYS A 106 3.045 -17.082 10.800 1.00 3.13 C ATOM 1700 NZ LYS A 106 4.033 -16.394 11.679 1.00 3.79 N ATOM 0 H LYS A 106 -1.933 -13.662 7.729 1.00 0.46 H new ATOM 0 HA LYS A 106 0.805 -14.564 7.619 1.00 0.58 H new ATOM 0 HB2 LYS A 106 0.464 -14.533 10.123 1.00 1.17 H new ATOM 0 HB3 LYS A 106 -0.901 -15.615 9.931 1.00 1.17 H new ATOM 0 HG2 LYS A 106 0.666 -17.285 10.168 1.00 1.68 H new ATOM 0 HG3 LYS A 106 1.011 -16.975 8.478 1.00 1.68 H new ATOM 0 HD2 LYS A 106 3.032 -15.973 8.944 1.00 2.57 H new ATOM 0 HD3 LYS A 106 2.386 -15.083 10.308 1.00 2.57 H new ATOM 0 HE2 LYS A 106 2.269 -17.552 11.405 1.00 3.13 H new ATOM 0 HE3 LYS A 106 3.535 -17.876 10.237 1.00 3.13 H new ATOM 0 HZ1 LYS A 106 4.458 -17.084 12.331 1.00 3.79 H new ATOM 0 HZ2 LYS A 106 4.779 -15.966 11.094 1.00 3.79 H new ATOM 0 HZ3 LYS A 106 3.553 -15.651 12.226 1.00 3.79 H new ATOM 1714 N GLU A 107 -1.214 -15.554 6.017 1.00 0.25 N ATOM 1715 CA GLU A 107 -1.876 -16.565 5.144 1.00 0.48 C ATOM 1716 C GLU A 107 -1.281 -16.468 3.745 1.00 0.61 C ATOM 1717 O GLU A 107 -1.985 -16.392 2.757 1.00 1.07 O ATOM 1718 CB GLU A 107 -3.383 -16.307 5.091 1.00 0.71 C ATOM 1719 CG GLU A 107 -3.642 -14.874 4.621 1.00 1.26 C ATOM 1720 CD GLU A 107 -5.127 -14.706 4.286 1.00 2.00 C ATOM 1721 OE1 GLU A 107 -5.932 -14.799 5.197 1.00 2.38 O ATOM 1722 OE2 GLU A 107 -5.431 -14.490 3.124 1.00 2.58 O ATOM 0 H GLU A 107 -1.081 -14.635 5.594 1.00 0.25 H new ATOM 0 HA GLU A 107 -1.711 -17.564 5.547 1.00 0.48 H new ATOM 0 HB2 GLU A 107 -3.860 -17.015 4.413 1.00 0.71 H new ATOM 0 HB3 GLU A 107 -3.824 -16.463 6.076 1.00 0.71 H new ATOM 0 HG2 GLU A 107 -3.352 -14.167 5.398 1.00 1.26 H new ATOM 0 HG3 GLU A 107 -3.033 -14.652 3.744 1.00 1.26 H new ATOM 1729 N ALA A 108 0.019 -16.472 3.664 1.00 0.42 N ATOM 1730 CA ALA A 108 0.689 -16.384 2.343 1.00 0.56 C ATOM 1731 C ALA A 108 2.168 -16.732 2.511 1.00 0.46 C ATOM 1732 O ALA A 108 2.749 -16.540 3.560 1.00 0.29 O ATOM 1733 CB ALA A 108 0.548 -14.967 1.789 1.00 0.61 C ATOM 0 H ALA A 108 0.649 -16.533 4.464 1.00 0.42 H new ATOM 0 HA ALA A 108 0.226 -17.083 1.647 1.00 0.56 H new ATOM 0 HB1 ALA A 108 1.041 -14.905 0.819 1.00 0.61 H new ATOM 0 HB2 ALA A 108 -0.509 -14.724 1.675 1.00 0.61 H new ATOM 0 HB3 ALA A 108 1.011 -14.260 2.477 1.00 0.61 H new ATOM 1739 N ASP A 109 2.776 -17.256 1.487 1.00 0.68 N ATOM 1740 CA ASP A 109 4.215 -17.638 1.585 1.00 0.75 C ATOM 1741 C ASP A 109 5.110 -16.419 1.323 1.00 0.78 C ATOM 1742 O ASP A 109 5.529 -15.745 2.243 1.00 1.70 O ATOM 1743 CB ASP A 109 4.522 -18.736 0.563 1.00 0.95 C ATOM 1744 CG ASP A 109 4.008 -20.078 1.088 1.00 1.06 C ATOM 1745 OD1 ASP A 109 3.507 -20.104 2.200 1.00 1.62 O ATOM 1746 OD2 ASP A 109 4.124 -21.056 0.368 1.00 1.45 O ATOM 0 H ASP A 109 2.340 -17.438 0.583 1.00 0.68 H new ATOM 0 HA ASP A 109 4.416 -18.008 2.590 1.00 0.75 H new ATOM 0 HB2 ASP A 109 4.050 -18.502 -0.391 1.00 0.95 H new ATOM 0 HB3 ASP A 109 5.596 -18.791 0.383 1.00 0.95 H new ATOM 1751 N GLN A 110 5.423 -16.132 0.083 1.00 0.49 N ATOM 1752 CA GLN A 110 6.302 -14.963 -0.204 1.00 0.44 C ATOM 1753 C GLN A 110 6.180 -14.561 -1.677 1.00 0.39 C ATOM 1754 O GLN A 110 6.902 -15.043 -2.526 1.00 0.31 O ATOM 1755 CB GLN A 110 7.756 -15.338 0.096 1.00 0.39 C ATOM 1756 CG GLN A 110 8.435 -14.208 0.869 1.00 0.54 C ATOM 1757 CD GLN A 110 9.893 -14.586 1.144 1.00 1.27 C ATOM 1758 OE1 GLN A 110 10.792 -14.116 0.475 1.00 2.88 O ATOM 1759 NE2 GLN A 110 10.168 -15.423 2.107 1.00 1.11 N ATOM 0 H GLN A 110 5.109 -16.654 -0.735 1.00 0.49 H new ATOM 0 HA GLN A 110 5.996 -14.125 0.422 1.00 0.44 H new ATOM 0 HB2 GLN A 110 7.791 -16.260 0.677 1.00 0.39 H new ATOM 0 HB3 GLN A 110 8.291 -15.527 -0.834 1.00 0.39 H new ATOM 0 HG2 GLN A 110 8.390 -13.282 0.296 1.00 0.54 H new ATOM 0 HG3 GLN A 110 7.911 -14.028 1.808 1.00 0.54 H new ATOM 0 HE21 GLN A 110 9.415 -15.818 2.670 1.00 1.11 H new ATOM 0 HE22 GLN A 110 11.136 -15.682 2.297 1.00 1.11 H new ATOM 1768 N SER A 111 5.278 -13.671 -1.987 1.00 0.45 N ATOM 1769 CA SER A 111 5.127 -13.231 -3.404 1.00 0.41 C ATOM 1770 C SER A 111 5.881 -11.912 -3.596 1.00 0.39 C ATOM 1771 O SER A 111 5.750 -11.000 -2.808 1.00 0.95 O ATOM 1772 CB SER A 111 3.646 -13.034 -3.723 1.00 0.61 C ATOM 1773 OG SER A 111 3.434 -13.253 -5.111 1.00 2.10 O ATOM 0 H SER A 111 4.641 -13.230 -1.324 1.00 0.45 H new ATOM 0 HA SER A 111 5.536 -13.987 -4.074 1.00 0.41 H new ATOM 0 HB2 SER A 111 3.040 -13.725 -3.137 1.00 0.61 H new ATOM 0 HB3 SER A 111 3.334 -12.026 -3.450 1.00 0.61 H new ATOM 0 HG SER A 111 2.485 -13.129 -5.320 1.00 2.10 H new ATOM 1779 N THR A 112 6.682 -11.815 -4.625 1.00 0.40 N ATOM 1780 CA THR A 112 7.462 -10.562 -4.856 1.00 0.27 C ATOM 1781 C THR A 112 6.541 -9.340 -4.804 1.00 0.31 C ATOM 1782 O THR A 112 5.384 -9.402 -5.168 1.00 0.42 O ATOM 1783 CB THR A 112 8.146 -10.633 -6.222 1.00 0.30 C ATOM 1784 OG1 THR A 112 7.179 -10.918 -7.223 1.00 0.52 O ATOM 1785 CG2 THR A 112 9.203 -11.737 -6.201 1.00 0.52 C ATOM 0 H THR A 112 6.830 -12.550 -5.316 1.00 0.40 H new ATOM 0 HA THR A 112 8.214 -10.465 -4.073 1.00 0.27 H new ATOM 0 HB THR A 112 8.622 -9.677 -6.443 1.00 0.30 H new ATOM 0 HG1 THR A 112 7.617 -10.962 -8.098 1.00 0.52 H new ATOM 0 HG21 THR A 112 9.693 -11.790 -7.173 1.00 0.52 H new ATOM 0 HG22 THR A 112 9.944 -11.516 -5.433 1.00 0.52 H new ATOM 0 HG23 THR A 112 8.727 -12.693 -5.982 1.00 0.52 H new ATOM 1793 N LEU A 113 7.051 -8.230 -4.340 1.00 0.26 N ATOM 1794 CA LEU A 113 6.215 -6.998 -4.248 1.00 0.36 C ATOM 1795 C LEU A 113 5.890 -6.461 -5.646 1.00 0.34 C ATOM 1796 O LEU A 113 5.054 -5.600 -5.802 1.00 0.36 O ATOM 1797 CB LEU A 113 6.972 -5.925 -3.459 1.00 0.38 C ATOM 1798 CG LEU A 113 5.972 -4.981 -2.788 1.00 0.64 C ATOM 1799 CD1 LEU A 113 6.605 -4.359 -1.542 1.00 0.61 C ATOM 1800 CD2 LEU A 113 5.590 -3.868 -3.766 1.00 1.59 C ATOM 0 H LEU A 113 8.014 -8.124 -4.020 1.00 0.26 H new ATOM 0 HA LEU A 113 5.283 -7.247 -3.740 1.00 0.36 H new ATOM 0 HB2 LEU A 113 7.607 -6.393 -2.707 1.00 0.38 H new ATOM 0 HB3 LEU A 113 7.627 -5.364 -4.125 1.00 0.38 H new ATOM 0 HG LEU A 113 5.083 -5.543 -2.502 1.00 0.64 H new ATOM 0 HD11 LEU A 113 5.890 -3.687 -1.067 1.00 0.61 H new ATOM 0 HD12 LEU A 113 6.882 -5.148 -0.842 1.00 0.61 H new ATOM 0 HD13 LEU A 113 7.495 -3.798 -1.827 1.00 0.61 H new ATOM 0 HD21 LEU A 113 4.878 -3.194 -3.290 1.00 1.59 H new ATOM 0 HD22 LEU A 113 6.483 -3.311 -4.050 1.00 1.59 H new ATOM 0 HD23 LEU A 113 5.137 -4.305 -4.656 1.00 1.59 H new ATOM 1812 N GLU A 114 6.535 -6.947 -6.669 1.00 0.34 N ATOM 1813 CA GLU A 114 6.234 -6.435 -8.033 1.00 0.36 C ATOM 1814 C GLU A 114 4.768 -6.719 -8.382 1.00 0.33 C ATOM 1815 O GLU A 114 4.050 -5.855 -8.853 1.00 0.53 O ATOM 1816 CB GLU A 114 7.144 -7.130 -9.046 1.00 0.42 C ATOM 1817 CG GLU A 114 8.522 -6.464 -9.045 1.00 0.97 C ATOM 1818 CD GLU A 114 9.130 -6.550 -10.446 1.00 0.74 C ATOM 1819 OE1 GLU A 114 9.502 -7.642 -10.842 1.00 1.26 O ATOM 1820 OE2 GLU A 114 9.211 -5.524 -11.099 1.00 1.63 O ATOM 0 H GLU A 114 7.252 -7.671 -6.620 1.00 0.34 H new ATOM 0 HA GLU A 114 6.407 -5.359 -8.062 1.00 0.36 H new ATOM 0 HB2 GLU A 114 7.240 -8.187 -8.797 1.00 0.42 H new ATOM 0 HB3 GLU A 114 6.704 -7.076 -10.042 1.00 0.42 H new ATOM 0 HG2 GLU A 114 8.434 -5.422 -8.738 1.00 0.97 H new ATOM 0 HG3 GLU A 114 9.175 -6.955 -8.323 1.00 0.97 H new ATOM 1827 N ASN A 115 4.322 -7.926 -8.165 1.00 0.17 N ATOM 1828 CA ASN A 115 2.908 -8.276 -8.499 1.00 0.21 C ATOM 1829 C ASN A 115 1.943 -7.754 -7.425 1.00 0.26 C ATOM 1830 O ASN A 115 0.756 -7.642 -7.658 1.00 0.29 O ATOM 1831 CB ASN A 115 2.771 -9.799 -8.602 1.00 0.30 C ATOM 1832 CG ASN A 115 1.810 -10.147 -9.740 1.00 1.07 C ATOM 1833 OD1 ASN A 115 1.148 -9.281 -10.277 1.00 2.07 O ATOM 1834 ND2 ASN A 115 1.705 -11.386 -10.135 1.00 1.08 N ATOM 0 H ASN A 115 4.875 -8.687 -7.771 1.00 0.17 H new ATOM 0 HA ASN A 115 2.654 -7.809 -9.451 1.00 0.21 H new ATOM 0 HB2 ASN A 115 3.746 -10.251 -8.783 1.00 0.30 H new ATOM 0 HB3 ASN A 115 2.401 -10.206 -7.661 1.00 0.30 H new ATOM 0 HD21 ASN A 115 1.068 -11.627 -10.894 1.00 1.08 H new ATOM 0 HD22 ASN A 115 2.260 -12.114 -9.685 1.00 1.08 H new ATOM 1841 N PHE A 116 2.425 -7.438 -6.253 1.00 0.28 N ATOM 1842 CA PHE A 116 1.506 -6.932 -5.190 1.00 0.35 C ATOM 1843 C PHE A 116 1.097 -5.494 -5.512 1.00 0.36 C ATOM 1844 O PHE A 116 -0.072 -5.171 -5.584 1.00 0.45 O ATOM 1845 CB PHE A 116 2.218 -6.970 -3.836 1.00 0.33 C ATOM 1846 CG PHE A 116 1.405 -6.204 -2.820 1.00 0.41 C ATOM 1847 CD1 PHE A 116 0.156 -6.690 -2.415 1.00 0.64 C ATOM 1848 CD2 PHE A 116 1.902 -5.012 -2.281 1.00 0.26 C ATOM 1849 CE1 PHE A 116 -0.597 -5.982 -1.471 1.00 0.72 C ATOM 1850 CE2 PHE A 116 1.148 -4.304 -1.337 1.00 0.34 C ATOM 1851 CZ PHE A 116 -0.102 -4.790 -0.931 1.00 0.57 C ATOM 0 H PHE A 116 3.407 -7.507 -5.986 1.00 0.28 H new ATOM 0 HA PHE A 116 0.618 -7.562 -5.149 1.00 0.35 H new ATOM 0 HB2 PHE A 116 2.349 -8.002 -3.510 1.00 0.33 H new ATOM 0 HB3 PHE A 116 3.214 -6.535 -3.924 1.00 0.33 H new ATOM 0 HD1 PHE A 116 -0.226 -7.611 -2.831 1.00 0.64 H new ATOM 0 HD2 PHE A 116 2.866 -4.638 -2.593 1.00 0.26 H new ATOM 0 HE1 PHE A 116 -1.561 -6.356 -1.159 1.00 0.72 H new ATOM 0 HE2 PHE A 116 1.530 -3.383 -0.922 1.00 0.34 H new ATOM 0 HZ PHE A 116 -0.683 -4.245 -0.202 1.00 0.57 H new ATOM 1861 N LEU A 117 2.053 -4.629 -5.708 1.00 0.30 N ATOM 1862 CA LEU A 117 1.725 -3.215 -6.026 1.00 0.35 C ATOM 1863 C LEU A 117 1.032 -3.146 -7.388 1.00 0.53 C ATOM 1864 O LEU A 117 0.180 -2.314 -7.611 1.00 0.61 O ATOM 1865 CB LEU A 117 3.009 -2.381 -6.049 1.00 0.26 C ATOM 1866 CG LEU A 117 2.905 -1.259 -5.013 1.00 0.41 C ATOM 1867 CD1 LEU A 117 1.741 -0.335 -5.377 1.00 1.83 C ATOM 1868 CD2 LEU A 117 2.661 -1.858 -3.625 1.00 1.16 C ATOM 0 H LEU A 117 3.049 -4.843 -5.661 1.00 0.30 H new ATOM 0 HA LEU A 117 1.056 -2.816 -5.263 1.00 0.35 H new ATOM 0 HB2 LEU A 117 3.870 -3.013 -5.832 1.00 0.26 H new ATOM 0 HB3 LEU A 117 3.165 -1.960 -7.042 1.00 0.26 H new ATOM 0 HG LEU A 117 3.835 -0.691 -5.004 1.00 0.41 H new ATOM 0 HD11 LEU A 117 1.666 0.464 -4.640 1.00 1.83 H new ATOM 0 HD12 LEU A 117 1.913 0.096 -6.363 1.00 1.83 H new ATOM 0 HD13 LEU A 117 0.813 -0.906 -5.388 1.00 1.83 H new ATOM 0 HD21 LEU A 117 2.588 -1.056 -2.890 1.00 1.16 H new ATOM 0 HD22 LEU A 117 1.732 -2.429 -3.633 1.00 1.16 H new ATOM 0 HD23 LEU A 117 3.489 -2.516 -3.362 1.00 1.16 H new ATOM 1880 N GLU A 118 1.373 -4.018 -8.303 1.00 0.59 N ATOM 1881 CA GLU A 118 0.695 -3.982 -9.631 1.00 0.75 C ATOM 1882 C GLU A 118 -0.800 -4.235 -9.415 1.00 0.84 C ATOM 1883 O GLU A 118 -1.645 -3.449 -9.807 1.00 0.90 O ATOM 1884 CB GLU A 118 1.272 -5.069 -10.541 1.00 0.78 C ATOM 1885 CG GLU A 118 0.417 -5.179 -11.808 1.00 0.98 C ATOM 1886 CD GLU A 118 0.327 -3.810 -12.486 1.00 2.00 C ATOM 1887 OE1 GLU A 118 1.363 -3.195 -12.679 1.00 2.81 O ATOM 1888 OE2 GLU A 118 -0.779 -3.400 -12.800 1.00 2.57 O ATOM 0 H GLU A 118 2.081 -4.743 -8.190 1.00 0.59 H new ATOM 0 HA GLU A 118 0.851 -3.012 -10.102 1.00 0.75 H new ATOM 0 HB2 GLU A 118 2.302 -4.829 -10.804 1.00 0.78 H new ATOM 0 HB3 GLU A 118 1.291 -6.025 -10.017 1.00 0.78 H new ATOM 0 HG2 GLU A 118 0.854 -5.907 -12.492 1.00 0.98 H new ATOM 0 HG3 GLU A 118 -0.581 -5.538 -11.556 1.00 0.98 H new ATOM 1895 N ARG A 119 -1.123 -5.325 -8.775 1.00 0.86 N ATOM 1896 CA ARG A 119 -2.552 -5.646 -8.503 1.00 0.95 C ATOM 1897 C ARG A 119 -3.131 -4.635 -7.502 1.00 0.84 C ATOM 1898 O ARG A 119 -4.325 -4.564 -7.312 1.00 0.80 O ATOM 1899 CB ARG A 119 -2.651 -7.057 -7.916 1.00 1.05 C ATOM 1900 CG ARG A 119 -1.933 -8.049 -8.837 1.00 1.24 C ATOM 1901 CD ARG A 119 -2.954 -9.001 -9.461 1.00 1.23 C ATOM 1902 NE ARG A 119 -2.258 -9.953 -10.378 1.00 1.89 N ATOM 1903 CZ ARG A 119 -2.852 -11.049 -10.792 1.00 1.91 C ATOM 1904 NH1 ARG A 119 -4.083 -11.334 -10.439 1.00 1.32 N ATOM 1905 NH2 ARG A 119 -2.207 -11.868 -11.576 1.00 2.71 N ATOM 0 H ARG A 119 -0.454 -6.011 -8.427 1.00 0.86 H new ATOM 0 HA ARG A 119 -3.117 -5.594 -9.434 1.00 0.95 H new ATOM 0 HB2 ARG A 119 -2.205 -7.080 -6.922 1.00 1.05 H new ATOM 0 HB3 ARG A 119 -3.697 -7.342 -7.803 1.00 1.05 H new ATOM 0 HG2 ARG A 119 -1.396 -7.512 -9.619 1.00 1.24 H new ATOM 0 HG3 ARG A 119 -1.192 -8.614 -8.272 1.00 1.24 H new ATOM 0 HD2 ARG A 119 -3.478 -9.551 -8.679 1.00 1.23 H new ATOM 0 HD3 ARG A 119 -3.705 -8.435 -10.011 1.00 1.23 H new ATOM 0 HE ARG A 119 -1.308 -9.749 -10.687 1.00 1.89 H new ATOM 0 HH11 ARG A 119 -4.599 -10.698 -9.831 1.00 1.32 H new ATOM 0 HH12 ARG A 119 -4.524 -12.191 -10.773 1.00 1.32 H new ATOM 0 HH21 ARG A 119 -1.251 -11.654 -11.861 1.00 2.71 H new ATOM 0 HH22 ARG A 119 -2.658 -12.722 -11.904 1.00 2.71 H new ATOM 1919 N LEU A 120 -2.305 -3.852 -6.855 1.00 0.77 N ATOM 1920 CA LEU A 120 -2.843 -2.863 -5.882 1.00 0.66 C ATOM 1921 C LEU A 120 -3.416 -1.663 -6.641 1.00 0.65 C ATOM 1922 O LEU A 120 -4.468 -1.162 -6.314 1.00 0.65 O ATOM 1923 CB LEU A 120 -1.725 -2.397 -4.951 1.00 0.52 C ATOM 1924 CG LEU A 120 -2.259 -2.327 -3.519 1.00 0.54 C ATOM 1925 CD1 LEU A 120 -1.236 -1.629 -2.623 1.00 0.93 C ATOM 1926 CD2 LEU A 120 -3.570 -1.539 -3.500 1.00 1.04 C ATOM 0 H LEU A 120 -1.290 -3.857 -6.959 1.00 0.77 H new ATOM 0 HA LEU A 120 -3.631 -3.328 -5.290 1.00 0.66 H new ATOM 0 HB2 LEU A 120 -0.881 -3.085 -5.004 1.00 0.52 H new ATOM 0 HB3 LEU A 120 -1.359 -1.419 -5.264 1.00 0.52 H new ATOM 0 HG LEU A 120 -2.435 -3.338 -3.151 1.00 0.54 H new ATOM 0 HD11 LEU A 120 -1.619 -1.580 -1.603 1.00 0.93 H new ATOM 0 HD12 LEU A 120 -0.301 -2.189 -2.633 1.00 0.93 H new ATOM 0 HD13 LEU A 120 -1.058 -0.619 -2.992 1.00 0.93 H new ATOM 0 HD21 LEU A 120 -3.950 -1.489 -2.480 1.00 1.04 H new ATOM 0 HD22 LEU A 120 -3.393 -0.529 -3.871 1.00 1.04 H new ATOM 0 HD23 LEU A 120 -4.302 -2.036 -4.136 1.00 1.04 H new ATOM 1938 N LYS A 121 -2.736 -1.206 -7.658 1.00 0.68 N ATOM 1939 CA LYS A 121 -3.248 -0.045 -8.441 1.00 0.73 C ATOM 1940 C LYS A 121 -4.483 -0.479 -9.219 1.00 0.85 C ATOM 1941 O LYS A 121 -5.436 0.260 -9.375 1.00 0.97 O ATOM 1942 CB LYS A 121 -2.178 0.401 -9.441 1.00 0.80 C ATOM 1943 CG LYS A 121 -2.509 1.802 -9.959 1.00 0.85 C ATOM 1944 CD LYS A 121 -1.366 2.301 -10.847 1.00 1.59 C ATOM 1945 CE LYS A 121 -1.270 1.428 -12.100 1.00 1.68 C ATOM 1946 NZ LYS A 121 -1.109 2.297 -13.299 1.00 1.89 N ATOM 0 H LYS A 121 -1.847 -1.587 -7.981 1.00 0.68 H new ATOM 0 HA LYS A 121 -3.493 0.773 -7.764 1.00 0.73 H new ATOM 0 HB2 LYS A 121 -1.198 0.401 -8.964 1.00 0.80 H new ATOM 0 HB3 LYS A 121 -2.128 -0.302 -10.272 1.00 0.80 H new ATOM 0 HG2 LYS A 121 -3.441 1.782 -10.524 1.00 0.85 H new ATOM 0 HG3 LYS A 121 -2.659 2.485 -9.123 1.00 0.85 H new ATOM 0 HD2 LYS A 121 -1.537 3.340 -11.128 1.00 1.59 H new ATOM 0 HD3 LYS A 121 -0.425 2.270 -10.297 1.00 1.59 H new ATOM 0 HE2 LYS A 121 -0.425 0.745 -12.016 1.00 1.68 H new ATOM 0 HE3 LYS A 121 -2.166 0.816 -12.199 1.00 1.68 H new ATOM 0 HZ1 LYS A 121 -1.044 1.704 -14.151 1.00 1.89 H new ATOM 0 HZ2 LYS A 121 -1.929 2.931 -13.381 1.00 1.89 H new ATOM 0 HZ3 LYS A 121 -0.242 2.863 -13.204 1.00 1.89 H new ATOM 1960 N THR A 122 -4.454 -1.676 -9.720 1.00 0.83 N ATOM 1961 CA THR A 122 -5.605 -2.191 -10.515 1.00 0.96 C ATOM 1962 C THR A 122 -6.845 -2.326 -9.626 1.00 0.92 C ATOM 1963 O THR A 122 -7.847 -1.675 -9.844 1.00 1.11 O ATOM 1964 CB THR A 122 -5.249 -3.559 -11.127 1.00 1.08 C ATOM 1965 OG1 THR A 122 -3.984 -3.997 -10.659 1.00 1.03 O ATOM 1966 CG2 THR A 122 -5.197 -3.431 -12.646 1.00 1.24 C ATOM 0 H THR A 122 -3.677 -2.329 -9.614 1.00 0.83 H new ATOM 0 HA THR A 122 -5.822 -1.485 -11.317 1.00 0.96 H new ATOM 0 HB THR A 122 -6.008 -4.284 -10.834 1.00 1.08 H new ATOM 0 HG1 THR A 122 -3.627 -4.677 -11.268 1.00 1.03 H new ATOM 0 HG21 THR A 122 -4.945 -4.397 -13.084 1.00 1.24 H new ATOM 0 HG22 THR A 122 -6.169 -3.106 -13.017 1.00 1.24 H new ATOM 0 HG23 THR A 122 -4.439 -2.698 -12.924 1.00 1.24 H new ATOM 1974 N ILE A 123 -6.786 -3.171 -8.636 1.00 0.83 N ATOM 1975 CA ILE A 123 -7.963 -3.362 -7.733 1.00 0.86 C ATOM 1976 C ILE A 123 -8.439 -2.006 -7.204 1.00 0.71 C ATOM 1977 O ILE A 123 -9.622 -1.768 -7.049 1.00 0.76 O ATOM 1978 CB ILE A 123 -7.566 -4.230 -6.527 1.00 0.89 C ATOM 1979 CG1 ILE A 123 -7.195 -5.671 -6.933 1.00 1.05 C ATOM 1980 CG2 ILE A 123 -8.733 -4.279 -5.541 1.00 0.97 C ATOM 1981 CD1 ILE A 123 -7.661 -6.000 -8.353 1.00 2.32 C ATOM 0 H ILE A 123 -5.972 -3.742 -8.409 1.00 0.83 H new ATOM 0 HA ILE A 123 -8.757 -3.847 -8.301 1.00 0.86 H new ATOM 0 HB ILE A 123 -6.685 -3.777 -6.073 1.00 0.89 H new ATOM 0 HG12 ILE A 123 -6.115 -5.801 -6.866 1.00 1.05 H new ATOM 0 HG13 ILE A 123 -7.645 -6.373 -6.231 1.00 1.05 H new ATOM 0 HG21 ILE A 123 -8.459 -4.893 -4.683 1.00 0.97 H new ATOM 0 HG22 ILE A 123 -8.968 -3.269 -5.205 1.00 0.97 H new ATOM 0 HG23 ILE A 123 -9.606 -4.710 -6.031 1.00 0.97 H new ATOM 0 HD11 ILE A 123 -7.380 -7.024 -8.600 1.00 2.32 H new ATOM 0 HD12 ILE A 123 -8.744 -5.896 -8.414 1.00 2.32 H new ATOM 0 HD13 ILE A 123 -7.191 -5.315 -9.058 1.00 2.32 H new ATOM 1993 N MET A 124 -7.525 -1.125 -6.903 1.00 0.57 N ATOM 1994 CA MET A 124 -7.915 0.204 -6.353 1.00 0.53 C ATOM 1995 C MET A 124 -8.887 0.925 -7.294 1.00 0.36 C ATOM 1996 O MET A 124 -10.007 1.229 -6.931 1.00 0.26 O ATOM 1997 CB MET A 124 -6.667 1.069 -6.153 1.00 0.64 C ATOM 1998 CG MET A 124 -5.939 0.619 -4.887 1.00 0.83 C ATOM 1999 SD MET A 124 -6.742 1.345 -3.440 1.00 0.29 S ATOM 2000 CE MET A 124 -5.265 2.087 -2.719 1.00 0.76 C ATOM 0 H MET A 124 -6.521 -1.269 -7.015 1.00 0.57 H new ATOM 0 HA MET A 124 -8.412 0.043 -5.396 1.00 0.53 H new ATOM 0 HB2 MET A 124 -6.007 0.981 -7.016 1.00 0.64 H new ATOM 0 HB3 MET A 124 -6.947 2.119 -6.071 1.00 0.64 H new ATOM 0 HG2 MET A 124 -5.951 -0.469 -4.815 1.00 0.83 H new ATOM 0 HG3 MET A 124 -4.894 0.925 -4.928 1.00 0.83 H new ATOM 0 HE1 MET A 124 -5.336 2.056 -1.632 1.00 0.76 H new ATOM 0 HE2 MET A 124 -4.384 1.531 -3.041 1.00 0.76 H new ATOM 0 HE3 MET A 124 -5.181 3.123 -3.048 1.00 0.76 H new ATOM 2010 N ARG A 125 -8.461 1.225 -8.488 1.00 0.58 N ATOM 2011 CA ARG A 125 -9.347 1.955 -9.444 1.00 0.66 C ATOM 2012 C ARG A 125 -10.495 1.072 -9.944 1.00 0.63 C ATOM 2013 O ARG A 125 -11.388 1.539 -10.623 1.00 0.74 O ATOM 2014 CB ARG A 125 -8.515 2.404 -10.644 1.00 1.01 C ATOM 2015 CG ARG A 125 -9.413 3.152 -11.634 1.00 0.94 C ATOM 2016 CD ARG A 125 -8.573 4.144 -12.439 1.00 1.67 C ATOM 2017 NE ARG A 125 -8.642 3.786 -13.886 1.00 1.28 N ATOM 2018 CZ ARG A 125 -8.239 4.628 -14.809 1.00 1.83 C ATOM 2019 NH1 ARG A 125 -7.751 5.803 -14.494 1.00 2.78 N ATOM 2020 NH2 ARG A 125 -8.326 4.288 -16.066 1.00 1.81 N ATOM 0 H ARG A 125 -7.534 0.996 -8.847 1.00 0.58 H new ATOM 0 HA ARG A 125 -9.777 2.809 -8.921 1.00 0.66 H new ATOM 0 HB2 ARG A 125 -7.701 3.050 -10.315 1.00 1.01 H new ATOM 0 HB3 ARG A 125 -8.061 1.540 -11.129 1.00 1.01 H new ATOM 0 HG2 ARG A 125 -9.901 2.444 -12.305 1.00 0.94 H new ATOM 0 HG3 ARG A 125 -10.202 3.679 -11.098 1.00 0.94 H new ATOM 0 HD2 ARG A 125 -8.941 5.159 -12.285 1.00 1.67 H new ATOM 0 HD3 ARG A 125 -7.538 4.125 -12.096 1.00 1.67 H new ATOM 0 HE ARG A 125 -9.007 2.874 -14.162 1.00 1.28 H new ATOM 0 HH11 ARG A 125 -7.678 6.079 -13.515 1.00 2.78 H new ATOM 0 HH12 ARG A 125 -7.444 6.441 -15.228 1.00 2.78 H new ATOM 0 HH21 ARG A 125 -8.704 3.376 -16.323 1.00 1.81 H new ATOM 0 HH22 ARG A 125 -8.016 4.934 -16.792 1.00 1.81 H new ATOM 2034 N GLU A 126 -10.481 -0.194 -9.646 1.00 0.58 N ATOM 2035 CA GLU A 126 -11.572 -1.076 -10.145 1.00 0.56 C ATOM 2036 C GLU A 126 -12.826 -0.964 -9.267 1.00 0.66 C ATOM 2037 O GLU A 126 -13.877 -0.562 -9.724 1.00 1.06 O ATOM 2038 CB GLU A 126 -11.081 -2.525 -10.146 1.00 0.54 C ATOM 2039 CG GLU A 126 -11.811 -3.315 -11.234 1.00 0.30 C ATOM 2040 CD GLU A 126 -12.590 -4.465 -10.593 1.00 1.44 C ATOM 2041 OE1 GLU A 126 -13.653 -4.206 -10.056 1.00 2.76 O ATOM 2042 OE2 GLU A 126 -12.109 -5.584 -10.649 1.00 1.58 O ATOM 0 H GLU A 126 -9.767 -0.656 -9.082 1.00 0.58 H new ATOM 0 HA GLU A 126 -11.836 -0.762 -11.155 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -10.006 -2.555 -10.321 1.00 0.54 H new ATOM 0 HB3 GLU A 126 -11.258 -2.980 -9.172 1.00 0.54 H new ATOM 0 HG2 GLU A 126 -12.491 -2.661 -11.779 1.00 0.30 H new ATOM 0 HG3 GLU A 126 -11.095 -3.705 -11.957 1.00 0.30 H new ATOM 2049 N LYS A 127 -12.740 -1.352 -8.023 1.00 0.41 N ATOM 2050 CA LYS A 127 -13.951 -1.303 -7.144 1.00 0.65 C ATOM 2051 C LYS A 127 -14.047 0.017 -6.372 1.00 0.41 C ATOM 2052 O LYS A 127 -15.128 0.449 -6.024 1.00 0.64 O ATOM 2053 CB LYS A 127 -13.905 -2.473 -6.159 1.00 0.95 C ATOM 2054 CG LYS A 127 -14.301 -3.763 -6.885 1.00 1.52 C ATOM 2055 CD LYS A 127 -13.287 -4.869 -6.579 1.00 1.53 C ATOM 2056 CE LYS A 127 -13.960 -5.962 -5.748 1.00 1.07 C ATOM 2057 NZ LYS A 127 -12.934 -6.657 -4.921 1.00 1.62 N ATOM 0 H LYS A 127 -11.891 -1.699 -7.577 1.00 0.41 H new ATOM 0 HA LYS A 127 -14.833 -1.376 -7.781 1.00 0.65 H new ATOM 0 HB2 LYS A 127 -12.904 -2.571 -5.740 1.00 0.95 H new ATOM 0 HB3 LYS A 127 -14.583 -2.288 -5.326 1.00 0.95 H new ATOM 0 HG2 LYS A 127 -15.297 -4.075 -6.572 1.00 1.52 H new ATOM 0 HG3 LYS A 127 -14.345 -3.586 -7.960 1.00 1.52 H new ATOM 0 HD2 LYS A 127 -12.900 -5.289 -7.507 1.00 1.53 H new ATOM 0 HD3 LYS A 127 -12.436 -4.457 -6.037 1.00 1.53 H new ATOM 0 HE2 LYS A 127 -14.726 -5.527 -5.107 1.00 1.07 H new ATOM 0 HE3 LYS A 127 -14.460 -6.676 -6.403 1.00 1.07 H new ATOM 0 HZ1 LYS A 127 -13.390 -7.401 -4.355 1.00 1.62 H new ATOM 0 HZ2 LYS A 127 -12.218 -7.085 -5.543 1.00 1.62 H new ATOM 0 HZ3 LYS A 127 -12.476 -5.971 -4.287 1.00 1.62 H new ATOM 2071 N TYR A 128 -12.952 0.664 -6.084 1.00 0.36 N ATOM 2072 CA TYR A 128 -13.056 1.942 -5.320 1.00 0.72 C ATOM 2073 C TYR A 128 -13.320 3.120 -6.266 1.00 1.18 C ATOM 2074 O TYR A 128 -13.336 4.261 -5.848 1.00 1.50 O ATOM 2075 CB TYR A 128 -11.772 2.189 -4.530 1.00 1.20 C ATOM 2076 CG TYR A 128 -11.408 0.939 -3.772 1.00 2.15 C ATOM 2077 CD1 TYR A 128 -12.411 0.146 -3.204 1.00 2.92 C ATOM 2078 CD2 TYR A 128 -10.070 0.561 -3.656 1.00 2.62 C ATOM 2079 CE1 TYR A 128 -12.070 -1.024 -2.516 1.00 3.98 C ATOM 2080 CE2 TYR A 128 -9.726 -0.610 -2.972 1.00 3.64 C ATOM 2081 CZ TYR A 128 -10.728 -1.404 -2.400 1.00 4.27 C ATOM 2082 OH TYR A 128 -10.395 -2.564 -1.729 1.00 5.36 O ATOM 0 H TYR A 128 -12.008 0.373 -6.337 1.00 0.36 H new ATOM 0 HA TYR A 128 -13.893 1.859 -4.627 1.00 0.72 H new ATOM 0 HB2 TYR A 128 -10.963 2.467 -5.206 1.00 1.20 H new ATOM 0 HB3 TYR A 128 -11.910 3.020 -3.839 1.00 1.20 H new ATOM 0 HD1 TYR A 128 -13.447 0.436 -3.296 1.00 2.92 H new ATOM 0 HD2 TYR A 128 -9.297 1.174 -4.096 1.00 2.62 H new ATOM 0 HE1 TYR A 128 -12.843 -1.635 -2.074 1.00 3.98 H new ATOM 0 HE2 TYR A 128 -8.690 -0.901 -2.885 1.00 3.64 H new ATOM 0 HH TYR A 128 -9.470 -2.810 -1.940 1.00 5.36 H new ATOM 2092 N SER A 129 -13.553 2.866 -7.527 1.00 1.31 N ATOM 2093 CA SER A 129 -13.838 3.987 -8.459 1.00 1.89 C ATOM 2094 C SER A 129 -15.130 4.686 -8.020 1.00 2.57 C ATOM 2095 O SER A 129 -15.369 5.830 -8.352 1.00 3.40 O ATOM 2096 CB SER A 129 -14.006 3.443 -9.878 1.00 1.62 C ATOM 2097 OG SER A 129 -13.216 4.217 -10.771 1.00 2.48 O ATOM 0 H SER A 129 -13.558 1.936 -7.946 1.00 1.31 H new ATOM 0 HA SER A 129 -13.012 4.698 -8.443 1.00 1.89 H new ATOM 0 HB2 SER A 129 -13.702 2.397 -9.918 1.00 1.62 H new ATOM 0 HB3 SER A 129 -15.054 3.482 -10.174 1.00 1.62 H new ATOM 0 HG SER A 129 -13.319 3.871 -11.682 1.00 2.48 H new ATOM 2103 N LYS A 130 -15.971 4.007 -7.277 1.00 2.28 N ATOM 2104 CA LYS A 130 -17.239 4.641 -6.830 1.00 3.01 C ATOM 2105 C LYS A 130 -17.505 4.301 -5.354 1.00 2.42 C ATOM 2106 O LYS A 130 -17.293 5.119 -4.482 1.00 3.93 O ATOM 2107 CB LYS A 130 -18.386 4.144 -7.718 1.00 3.48 C ATOM 2108 CG LYS A 130 -19.517 5.174 -7.722 1.00 4.73 C ATOM 2109 CD LYS A 130 -20.861 4.452 -7.615 1.00 5.03 C ATOM 2110 CE LYS A 130 -21.977 5.479 -7.428 1.00 7.01 C ATOM 2111 NZ LYS A 130 -23.151 5.086 -8.256 1.00 7.13 N ATOM 0 H LYS A 130 -15.830 3.046 -6.965 1.00 2.28 H new ATOM 0 HA LYS A 130 -17.163 5.725 -6.919 1.00 3.01 H new ATOM 0 HB2 LYS A 130 -18.027 3.979 -8.734 1.00 3.48 H new ATOM 0 HB3 LYS A 130 -18.754 3.186 -7.351 1.00 3.48 H new ATOM 0 HG2 LYS A 130 -19.396 5.866 -6.889 1.00 4.73 H new ATOM 0 HG3 LYS A 130 -19.481 5.766 -8.636 1.00 4.73 H new ATOM 0 HD2 LYS A 130 -21.042 3.862 -8.514 1.00 5.03 H new ATOM 0 HD3 LYS A 130 -20.847 3.757 -6.775 1.00 5.03 H new ATOM 0 HE2 LYS A 130 -22.261 5.537 -6.377 1.00 7.01 H new ATOM 0 HE3 LYS A 130 -21.628 6.470 -7.719 1.00 7.01 H new ATOM 0 HZ1 LYS A 130 -23.913 5.783 -8.131 1.00 7.13 H new ATOM 0 HZ2 LYS A 130 -22.874 5.052 -9.258 1.00 7.13 H new ATOM 0 HZ3 LYS A 130 -23.488 4.148 -7.958 1.00 7.13 H new ATOM 2125 N CYS A 131 -17.958 3.107 -5.061 1.00 0.73 N ATOM 2126 CA CYS A 131 -18.225 2.733 -3.639 1.00 1.31 C ATOM 2127 C CYS A 131 -18.716 1.282 -3.573 1.00 3.36 C ATOM 2128 O CYS A 131 -19.796 1.006 -3.088 1.00 3.62 O ATOM 2129 CB CYS A 131 -19.303 3.652 -3.052 1.00 1.86 C ATOM 2130 SG CYS A 131 -19.188 3.639 -1.246 1.00 1.94 S ATOM 0 H CYS A 131 -18.154 2.376 -5.745 1.00 0.73 H new ATOM 0 HA CYS A 131 -17.304 2.839 -3.066 1.00 1.31 H new ATOM 0 HB2 CYS A 131 -19.175 4.667 -3.428 1.00 1.86 H new ATOM 0 HB3 CYS A 131 -20.292 3.318 -3.367 1.00 1.86 H new ATOM 2135 N SER A 132 -17.937 0.354 -4.058 1.00 4.96 N ATOM 2136 CA SER A 132 -18.366 -1.075 -4.023 1.00 7.10 C ATOM 2137 C SER A 132 -18.735 -1.467 -2.588 1.00 8.06 C ATOM 2138 O SER A 132 -17.941 -1.345 -1.676 1.00 8.59 O ATOM 2139 CB SER A 132 -17.220 -1.960 -4.515 1.00 8.82 C ATOM 2140 OG SER A 132 -17.704 -2.840 -5.523 1.00 9.61 O ATOM 0 H SER A 132 -17.022 0.522 -4.477 1.00 4.96 H new ATOM 0 HA SER A 132 -19.234 -1.209 -4.668 1.00 7.10 H new ATOM 0 HB2 SER A 132 -16.413 -1.343 -4.911 1.00 8.82 H new ATOM 0 HB3 SER A 132 -16.805 -2.532 -3.685 1.00 8.82 H new ATOM 0 HG SER A 132 -17.187 -3.672 -5.507 1.00 9.61 H new ATOM 2146 N SER A 133 -19.937 -1.936 -2.381 1.00 8.69 N ATOM 2147 CA SER A 133 -20.358 -2.333 -1.007 1.00 10.04 C ATOM 2148 C SER A 133 -19.800 -3.719 -0.683 1.00 12.02 C ATOM 2149 O SER A 133 -20.448 -4.693 -1.028 1.00 12.53 O ATOM 2150 CB SER A 133 -21.886 -2.369 -0.932 1.00 9.70 C ATOM 2151 OG SER A 133 -22.288 -2.528 0.423 1.00 10.52 O ATOM 2152 OXT SER A 133 -18.733 -3.783 -0.092 1.00 13.08 O ATOM 0 H SER A 133 -20.645 -2.061 -3.105 1.00 8.69 H new ATOM 0 HA SER A 133 -19.975 -1.610 -0.287 1.00 10.04 H new ATOM 0 HB2 SER A 133 -22.303 -1.449 -1.341 1.00 9.70 H new ATOM 0 HB3 SER A 133 -22.272 -3.190 -1.536 1.00 9.70 H new ATOM 0 HG SER A 133 -23.266 -2.550 0.474 1.00 10.52 H new TER 2158 SER A 133