USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 751 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 76 TYR OH : rot 180:sc= 0.773 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -157:sc= 0.805 (180deg=-0.464) USER MOD Set 2.1: A 69 CYS SG : rot -12:sc= 0.125 USER MOD Set 2.2: A 70 THR OG1 : rot -100:sc= -0.158 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.724 K(o=1.6,f=-0.32) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.858 K(o=1.6,f=-0.029) USER MOD Single : A 38 ASN : amide:sc= 0.138 X(o=0.14,f=0.1) USER MOD Single : A 42 TYR OH : rot 112:sc= 0.0222 USER MOD Single : A 43 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.5!) USER MOD Single : A 50 THR OG1 : rot 64:sc= 1.33 USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= -0.0469 (180deg=-0.239) USER MOD Single : A 56 GLN : amide:sc= -0.21 K(o=-0.21,f=-4.7!) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.855) USER MOD Single : A 61 ASN : amide:sc=0.000922 X(o=0.00092,f=-0.48) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -13:sc= 0.79 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.29 (180deg=0.62) USER MOD Single : A 85 SER OG : rot -83:sc= 1.3 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 89 ASN : amide:sc= -0.164 K(o=-0.16,f=-2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -146:sc= -0.0228 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.643 K(o=0.64,f=-4.8!) USER MOD Single : A 100 MET CE :methyl 159:sc= -0.42 (180deg=-1.82) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 103 THR OG1 : rot 130:sc= -1.31 USER MOD Single : A 104 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.17) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.754 F(o=-1.3,f=-0.75) USER MOD Single : A 109 MET CE :methyl -109:sc= -0.876 (180deg=-1.04) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc=-0.00802 (180deg=-0.111) USER MOD Single : A 111 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.22) USER MOD Single : A 114 SER OG : rot -49:sc= 0.142 USER MOD Single : A 117 SER OG : rot 26:sc= -1.28 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -112:sc= 0.213 (180deg=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.374 -5.306 11.619 1.00 1.27 N ATOM 31 CA PHE A 28 -5.172 -4.578 11.182 1.00 1.21 C ATOM 32 C PHE A 28 -5.035 -4.502 9.660 1.00 0.94 C ATOM 33 O PHE A 28 -5.221 -5.485 8.946 1.00 0.94 O ATOM 34 CB PHE A 28 -3.903 -5.202 11.777 1.00 1.52 C ATOM 35 CG PHE A 28 -3.823 -5.109 13.276 1.00 1.96 C ATOM 36 CD1 PHE A 28 -3.372 -3.953 13.891 1.00 2.75 C ATOM 37 CD2 PHE A 28 -4.202 -6.181 14.069 1.00 2.12 C ATOM 38 CE1 PHE A 28 -3.298 -3.866 15.266 1.00 3.75 C ATOM 39 CE2 PHE A 28 -4.131 -6.100 15.446 1.00 2.99 C ATOM 40 CZ PHE A 28 -3.674 -4.937 16.046 1.00 3.85 C ATOM 0 HA PHE A 28 -5.291 -3.560 11.553 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.854 -6.251 11.485 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -3.031 -4.710 11.345 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -3.074 -3.109 13.287 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.557 -7.089 13.605 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -2.945 -2.957 15.731 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -4.431 -6.941 16.054 1.00 2.99 H new ATOM 0 HZ PHE A 28 -3.613 -4.871 17.122 1.00 3.85 H new ATOM 50 N GLY A 29 -4.671 -3.328 9.166 1.00 0.85 N ATOM 51 CA GLY A 29 -4.436 -3.173 7.747 1.00 0.73 C ATOM 52 C GLY A 29 -2.956 -3.131 7.437 1.00 0.63 C ATOM 53 O GLY A 29 -2.289 -2.131 7.695 1.00 0.69 O ATOM 0 H GLY A 29 -4.535 -2.483 9.721 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.900 -3.999 7.207 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.910 -2.256 7.396 1.00 0.73 H new ATOM 57 N ALA A 30 -2.440 -4.225 6.903 1.00 0.66 N ATOM 58 CA ALA A 30 -1.023 -4.337 6.605 1.00 0.59 C ATOM 59 C ALA A 30 -0.813 -5.067 5.288 1.00 0.56 C ATOM 60 O ALA A 30 -1.289 -6.188 5.112 1.00 0.65 O ATOM 61 CB ALA A 30 -0.310 -5.070 7.729 1.00 0.71 C ATOM 0 H ALA A 30 -2.986 -5.053 6.666 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.606 -3.334 6.516 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.752 -5.149 7.496 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.437 -4.519 8.661 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.733 -6.069 7.838 1.00 0.71 H new ATOM 67 N ILE A 31 -0.126 -4.425 4.359 1.00 0.49 N ATOM 68 CA ILE A 31 0.183 -5.039 3.084 1.00 0.53 C ATOM 69 C ILE A 31 1.676 -4.995 2.803 1.00 0.43 C ATOM 70 O ILE A 31 2.415 -4.233 3.427 1.00 0.49 O ATOM 71 CB ILE A 31 -0.468 -4.468 2.084 1.00 0.62 C ATOM 72 CG1 ILE A 31 -0.326 -2.943 2.110 1.00 0.82 C ATOM 73 CG2 ILE A 31 -1.936 -4.875 2.106 1.00 1.08 C ATOM 74 CD1 ILE A 31 -1.078 -2.242 0.997 1.00 0.96 C ATOM 0 H ILE A 31 0.229 -3.475 4.467 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.142 -6.077 3.155 1.00 0.53 H new ATOM 0 HB ILE A 31 -0.021 -4.819 1.154 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -0.684 -2.570 3.069 1.00 0.82 H new ATOM 0 HG13 ILE A 31 0.731 -2.684 2.042 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -2.458 -4.397 1.277 1.00 1.08 H new ATOM 0 HG22 ILE A 31 -2.015 -5.958 2.009 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -2.386 -4.562 3.048 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -0.931 -1.165 1.080 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -0.704 -2.586 0.033 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.141 -2.470 1.076 1.00 0.96 H new ATOM 86 N GLN A 32 2.128 -5.842 1.895 1.00 0.39 N ATOM 87 CA GLN A 32 3.534 -5.884 1.535 1.00 0.34 C ATOM 88 C GLN A 32 3.711 -5.575 0.054 1.00 0.33 C ATOM 89 O GLN A 32 3.232 -6.320 -0.806 1.00 0.36 O ATOM 90 CB GLN A 32 4.132 -7.250 1.879 1.00 0.37 C ATOM 91 CG GLN A 32 5.627 -7.324 1.645 1.00 0.53 C ATOM 92 CD GLN A 32 6.244 -8.634 2.090 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.598 -9.683 2.088 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.511 -8.578 2.466 1.00 0.86 N ATOM 0 H GLN A 32 1.542 -6.510 1.394 1.00 0.39 H new ATOM 0 HA GLN A 32 4.064 -5.124 2.109 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.923 -7.478 2.924 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.639 -8.016 1.281 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.828 -7.179 0.584 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.111 -6.505 2.176 1.00 0.53 H new ATOM 0 HE21 GLN A 32 8.008 -7.688 2.452 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.991 -9.425 2.770 1.00 0.86 H new ATOM 103 N LEU A 33 4.378 -4.461 -0.232 1.00 0.38 N ATOM 104 CA LEU A 33 4.598 -4.017 -1.599 1.00 0.41 C ATOM 105 C LEU A 33 6.089 -4.001 -1.888 1.00 0.33 C ATOM 106 O LEU A 33 6.879 -3.722 -0.995 1.00 0.36 O ATOM 107 CB LEU A 33 4.059 -2.596 -1.833 1.00 0.56 C ATOM 108 CG LEU A 33 2.615 -2.309 -1.408 1.00 0.91 C ATOM 109 CD1 LEU A 33 1.663 -3.344 -1.973 1.00 1.24 C ATOM 110 CD2 LEU A 33 2.488 -2.222 0.102 1.00 1.62 C ATOM 0 H LEU A 33 4.778 -3.845 0.476 1.00 0.38 H new ATOM 0 HA LEU A 33 4.071 -4.709 -2.256 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.710 -1.898 -1.306 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.147 -2.373 -2.896 1.00 0.56 H new ATOM 0 HG LEU A 33 2.340 -1.338 -1.820 1.00 0.91 H new ATOM 0 HD11 LEU A 33 0.646 -3.115 -1.655 1.00 1.24 H new ATOM 0 HD12 LEU A 33 1.715 -3.330 -3.062 1.00 1.24 H new ATOM 0 HD13 LEU A 33 1.943 -4.333 -1.609 1.00 1.24 H new ATOM 0 HD21 LEU A 33 1.451 -2.018 0.369 1.00 1.62 H new ATOM 0 HD22 LEU A 33 2.798 -3.167 0.548 1.00 1.62 H new ATOM 0 HD23 LEU A 33 3.124 -1.419 0.475 1.00 1.62 H new ATOM 122 N ASP A 34 6.486 -4.289 -3.113 1.00 0.33 N ATOM 123 CA ASP A 34 7.894 -4.173 -3.479 1.00 0.34 C ATOM 124 C ASP A 34 8.116 -2.961 -4.377 1.00 0.40 C ATOM 125 O ASP A 34 7.157 -2.343 -4.843 1.00 0.43 O ATOM 126 CB ASP A 34 8.448 -5.458 -4.119 1.00 0.38 C ATOM 127 CG ASP A 34 7.849 -5.809 -5.466 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.633 -4.900 -6.290 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.639 -7.015 -5.721 1.00 1.22 O ATOM 0 H ASP A 34 5.869 -4.600 -3.864 1.00 0.33 H new ATOM 0 HA ASP A 34 8.456 -4.027 -2.556 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.527 -5.354 -4.234 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.279 -6.289 -3.435 1.00 0.38 H new ATOM 134 N GLY A 35 9.385 -2.612 -4.588 1.00 0.47 N ATOM 135 CA GLY A 35 9.738 -1.404 -5.323 1.00 0.57 C ATOM 136 C GLY A 35 9.221 -1.366 -6.753 1.00 0.64 C ATOM 137 O GLY A 35 9.279 -0.322 -7.404 1.00 0.79 O ATOM 0 H GLY A 35 10.185 -3.152 -4.258 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.349 -0.539 -4.786 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.824 -1.307 -5.339 1.00 0.57 H new ATOM 141 N ASP A 36 8.713 -2.488 -7.248 1.00 0.58 N ATOM 142 CA ASP A 36 8.174 -2.548 -8.602 1.00 0.66 C ATOM 143 C ASP A 36 6.707 -2.142 -8.606 1.00 0.61 C ATOM 144 O ASP A 36 6.118 -1.898 -9.662 1.00 0.78 O ATOM 145 CB ASP A 36 8.331 -3.956 -9.197 1.00 0.69 C ATOM 146 CG ASP A 36 9.784 -4.348 -9.383 1.00 1.21 C ATOM 147 OD1 ASP A 36 10.213 -5.359 -8.785 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.514 -3.640 -10.115 1.00 1.56 O ATOM 0 H ASP A 36 8.663 -3.367 -6.734 1.00 0.58 H new ATOM 0 HA ASP A 36 8.739 -1.850 -9.220 1.00 0.66 H new ATOM 0 HB2 ASP A 36 7.843 -4.680 -8.544 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.820 -4.000 -10.159 1.00 0.69 H new ATOM 153 N GLY A 37 6.133 -2.043 -7.417 1.00 0.51 N ATOM 154 CA GLY A 37 4.717 -1.779 -7.291 1.00 0.53 C ATOM 155 C GLY A 37 3.945 -3.072 -7.199 1.00 0.47 C ATOM 156 O GLY A 37 2.715 -3.093 -7.257 1.00 0.53 O ATOM 0 H GLY A 37 6.628 -2.142 -6.531 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.531 -1.174 -6.404 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.371 -1.202 -8.149 1.00 0.53 H new ATOM 160 N ASN A 38 4.691 -4.147 -7.031 1.00 0.40 N ATOM 161 CA ASN A 38 4.151 -5.495 -7.036 1.00 0.39 C ATOM 162 C ASN A 38 3.654 -5.868 -5.649 1.00 0.34 C ATOM 163 O ASN A 38 4.203 -5.406 -4.644 1.00 0.40 O ATOM 164 CB ASN A 38 5.260 -6.449 -7.472 1.00 0.44 C ATOM 165 CG ASN A 38 4.824 -7.887 -7.628 1.00 0.70 C ATOM 166 OD1 ASN A 38 3.694 -8.184 -8.015 1.00 1.30 O ATOM 167 ND2 ASN A 38 5.740 -8.791 -7.337 1.00 1.24 N ATOM 0 H ASN A 38 5.700 -4.110 -6.886 1.00 0.40 H new ATOM 0 HA ASN A 38 3.308 -5.558 -7.725 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.669 -6.102 -8.421 1.00 0.44 H new ATOM 0 HB3 ASN A 38 6.068 -6.405 -6.742 1.00 0.44 H new ATOM 0 HD21 ASN A 38 5.524 -9.784 -7.429 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.664 -8.497 -7.020 1.00 1.24 H new ATOM 174 N ILE A 39 2.607 -6.679 -5.588 1.00 0.32 N ATOM 175 CA ILE A 39 2.096 -7.146 -4.311 1.00 0.32 C ATOM 176 C ILE A 39 2.722 -8.488 -3.962 1.00 0.36 C ATOM 177 O ILE A 39 3.109 -9.251 -4.849 1.00 0.41 O ATOM 178 CB ILE A 39 0.781 -7.299 -4.300 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.056 -6.209 -5.091 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.283 -7.310 -2.859 1.00 0.43 C ATOM 181 CD1 ILE A 39 0.013 -4.878 -4.393 1.00 0.89 C ATOM 0 H ILE A 39 2.099 -7.024 -6.403 1.00 0.32 H new ATOM 0 HA ILE A 39 2.357 -6.378 -3.583 1.00 0.32 H new ATOM 0 HB ILE A 39 0.558 -8.249 -4.786 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.547 -6.087 -6.056 1.00 0.41 H new ATOM 0 HG13 ILE A 39 -0.964 -6.537 -5.291 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.800 -7.436 -2.849 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.749 -8.134 -2.319 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.543 -6.368 -2.377 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -0.517 -4.157 -5.016 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -0.505 -4.984 -3.440 1.00 0.89 H new ATOM 0 HD13 ILE A 39 1.030 -4.527 -4.217 1.00 0.89 H new ATOM 193 N LEU A 40 2.877 -8.741 -2.673 1.00 0.40 N ATOM 194 CA LEU A 40 3.374 -10.018 -2.191 1.00 0.49 C ATOM 195 C LEU A 40 2.339 -10.664 -1.286 1.00 0.56 C ATOM 196 O LEU A 40 1.812 -11.735 -1.586 1.00 0.73 O ATOM 197 CB LEU A 40 4.689 -9.837 -1.421 1.00 0.55 C ATOM 198 CG LEU A 40 5.896 -9.371 -2.250 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.758 -7.907 -2.647 1.00 1.39 C ATOM 200 CD2 LEU A 40 7.190 -9.595 -1.480 1.00 1.45 C ATOM 0 H LEU A 40 2.663 -8.070 -1.935 1.00 0.40 H new ATOM 0 HA LEU A 40 3.561 -10.660 -3.051 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.522 -9.115 -0.621 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.943 -10.785 -0.947 1.00 0.55 H new ATOM 0 HG LEU A 40 5.926 -9.965 -3.163 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.626 -7.605 -3.233 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.855 -7.775 -3.243 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.694 -7.291 -1.750 1.00 1.39 H new ATOM 0 HD21 LEU A 40 8.034 -9.259 -2.082 1.00 1.45 H new ATOM 0 HD22 LEU A 40 7.161 -9.030 -0.548 1.00 1.45 H new ATOM 0 HD23 LEU A 40 7.302 -10.656 -1.258 1.00 1.45 H new ATOM 212 N GLN A 41 2.045 -9.994 -0.178 1.00 0.59 N ATOM 213 CA GLN A 41 1.096 -10.502 0.795 1.00 0.73 C ATOM 214 C GLN A 41 0.176 -9.389 1.275 1.00 0.61 C ATOM 215 O GLN A 41 0.630 -8.294 1.613 1.00 0.60 O ATOM 216 CB GLN A 41 1.827 -11.110 1.996 1.00 0.99 C ATOM 217 CG GLN A 41 2.807 -12.209 1.625 1.00 0.88 C ATOM 218 CD GLN A 41 3.526 -12.785 2.828 1.00 1.20 C ATOM 219 OE1 GLN A 41 3.075 -13.760 3.429 1.00 1.99 O ATOM 220 NE2 GLN A 41 4.646 -12.179 3.194 1.00 1.30 N ATOM 0 H GLN A 41 2.455 -9.093 0.066 1.00 0.59 H new ATOM 0 HA GLN A 41 0.501 -11.276 0.310 1.00 0.73 H new ATOM 0 HB2 GLN A 41 2.364 -10.320 2.521 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.091 -11.512 2.692 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.273 -13.007 1.110 1.00 0.88 H new ATOM 0 HG3 GLN A 41 3.541 -11.813 0.924 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.985 -11.374 2.668 1.00 1.30 H new ATOM 0 HE22 GLN A 41 5.169 -12.518 4.002 1.00 1.30 H new ATOM 229 N TYR A 42 -1.113 -9.665 1.264 1.00 0.68 N ATOM 230 CA TYR A 42 -2.098 -8.777 1.871 1.00 0.69 C ATOM 231 C TYR A 42 -2.463 -9.278 3.261 1.00 0.78 C ATOM 232 O TYR A 42 -1.948 -10.300 3.717 1.00 1.25 O ATOM 233 CB TYR A 42 -3.369 -8.695 1.016 1.00 0.78 C ATOM 234 CG TYR A 42 -3.407 -7.535 0.043 1.00 0.68 C ATOM 235 CD1 TYR A 42 -4.607 -6.986 -0.391 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.227 -6.989 -0.443 1.00 0.57 C ATOM 237 CE1 TYR A 42 -4.625 -5.925 -1.281 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.237 -5.933 -1.331 1.00 0.56 C ATOM 239 CZ TYR A 42 -3.516 -5.403 -1.743 1.00 0.63 C ATOM 240 OH TYR A 42 -3.453 -4.348 -2.626 1.00 0.71 O ATOM 0 H TYR A 42 -1.510 -10.503 0.839 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.656 -7.783 1.939 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.474 -9.624 0.456 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.232 -8.623 1.679 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.540 -7.393 -0.029 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.282 -7.399 -0.119 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -5.573 -5.519 -1.601 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.315 -5.515 -1.707 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.081 -3.563 -2.172 1.00 0.71 H new ATOM 250 N ASN A 43 -3.352 -8.559 3.927 1.00 0.89 N ATOM 251 CA ASN A 43 -3.867 -8.994 5.215 1.00 0.95 C ATOM 252 C ASN A 43 -5.386 -9.092 5.144 1.00 1.08 C ATOM 253 O ASN A 43 -5.991 -8.688 4.147 1.00 1.63 O ATOM 254 CB ASN A 43 -3.446 -8.028 6.330 1.00 0.96 C ATOM 255 CG ASN A 43 -3.537 -8.658 7.710 1.00 1.38 C ATOM 256 OD1 ASN A 43 -3.356 -9.862 7.866 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.837 -7.853 8.714 1.00 1.66 N ATOM 0 H ASN A 43 -3.732 -7.672 3.597 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.450 -9.974 5.448 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.423 -7.696 6.152 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.079 -7.141 6.296 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.925 -8.227 9.659 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.980 -6.857 8.544 1.00 1.66 H new ATOM 264 N ALA A 44 -5.998 -9.598 6.205 1.00 1.12 N ATOM 265 CA ALA A 44 -7.439 -9.836 6.234 1.00 1.23 C ATOM 266 C ALA A 44 -8.249 -8.539 6.162 1.00 1.22 C ATOM 267 O ALA A 44 -9.460 -8.575 5.950 1.00 1.39 O ATOM 268 CB ALA A 44 -7.809 -10.613 7.489 1.00 1.48 C ATOM 0 H ALA A 44 -5.516 -9.855 7.066 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.689 -10.420 5.348 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.885 -10.787 7.505 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.286 -11.569 7.492 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.521 -10.039 8.370 1.00 1.48 H new ATOM 274 N ALA A 45 -7.584 -7.399 6.330 1.00 1.21 N ATOM 275 CA ALA A 45 -8.269 -6.108 6.333 1.00 1.34 C ATOM 276 C ALA A 45 -8.714 -5.697 4.937 1.00 1.26 C ATOM 277 O ALA A 45 -9.834 -5.222 4.755 1.00 1.38 O ATOM 278 CB ALA A 45 -7.383 -5.032 6.936 1.00 1.52 C ATOM 0 H ALA A 45 -6.575 -7.342 6.466 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.162 -6.220 6.947 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.912 -4.079 6.929 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.132 -5.300 7.962 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.468 -4.944 6.350 1.00 1.52 H new ATOM 284 N GLU A 46 -7.855 -5.888 3.941 1.00 1.18 N ATOM 285 CA GLU A 46 -8.189 -5.461 2.589 1.00 1.23 C ATOM 286 C GLU A 46 -9.150 -6.451 1.941 1.00 1.20 C ATOM 287 O GLU A 46 -9.779 -6.154 0.929 1.00 1.42 O ATOM 288 CB GLU A 46 -6.935 -5.280 1.729 1.00 1.27 C ATOM 289 CG GLU A 46 -5.944 -4.266 2.286 1.00 1.10 C ATOM 290 CD GLU A 46 -6.613 -3.125 3.032 1.00 1.31 C ATOM 291 OE1 GLU A 46 -6.580 -3.120 4.283 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.296 -2.057 2.318 1.00 1.31 O ATOM 0 H GLU A 46 -6.940 -6.327 4.041 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.681 -4.491 2.658 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.435 -6.243 1.626 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.235 -4.968 0.728 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.252 -4.775 2.957 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.352 -3.858 1.467 1.00 1.10 H new ATOM 300 N GLY A 47 -9.259 -7.630 2.533 1.00 1.08 N ATOM 301 CA GLY A 47 -10.278 -8.572 2.115 1.00 1.18 C ATOM 302 C GLY A 47 -11.569 -8.342 2.868 1.00 1.25 C ATOM 303 O GLY A 47 -12.593 -8.956 2.579 1.00 1.42 O ATOM 0 H GLY A 47 -8.662 -7.952 3.294 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.454 -8.471 1.044 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -9.929 -9.590 2.286 1.00 1.18 H new ATOM 307 N ASP A 48 -11.505 -7.445 3.842 1.00 1.26 N ATOM 308 CA ASP A 48 -12.663 -7.074 4.639 1.00 1.49 C ATOM 309 C ASP A 48 -13.306 -5.809 4.083 1.00 1.53 C ATOM 310 O ASP A 48 -14.518 -5.754 3.877 1.00 1.74 O ATOM 311 CB ASP A 48 -12.243 -6.866 6.099 1.00 1.72 C ATOM 312 CG ASP A 48 -13.323 -6.224 6.942 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.113 -5.093 7.424 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.394 -6.845 7.103 1.00 2.35 O ATOM 0 H ASP A 48 -10.649 -6.955 4.101 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.397 -7.878 4.595 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.975 -7.829 6.534 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.349 -6.243 6.128 1.00 1.72 H new ATOM 319 N ILE A 49 -12.482 -4.802 3.819 1.00 1.50 N ATOM 320 CA ILE A 49 -12.967 -3.537 3.285 1.00 1.74 C ATOM 321 C ILE A 49 -13.285 -3.659 1.794 1.00 1.73 C ATOM 322 O ILE A 49 -14.437 -3.515 1.385 1.00 2.08 O ATOM 323 CB ILE A 49 -12.081 -2.564 3.475 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.746 -2.410 4.955 1.00 2.10 C ATOM 325 CG2 ILE A 49 -12.582 -1.237 2.902 1.00 2.43 C ATOM 326 CD1 ILE A 49 -12.944 -2.103 5.835 1.00 2.59 C ATOM 0 H ILE A 49 -11.473 -4.838 3.967 1.00 1.50 H new ATOM 0 HA ILE A 49 -13.882 -3.287 3.823 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.171 -2.842 2.943 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.276 -3.328 5.307 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.012 -1.613 5.069 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -11.835 -0.462 3.073 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.754 -1.345 1.831 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.514 -0.958 3.393 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -12.620 -2.009 6.871 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -13.403 -1.168 5.512 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -13.671 -2.911 5.754 1.00 2.59 H new ATOM 338 N THR A 50 -12.267 -3.929 0.986 1.00 1.71 N ATOM 339 CA THR A 50 -12.441 -4.010 -0.457 1.00 1.95 C ATOM 340 C THR A 50 -12.824 -5.416 -0.917 1.00 1.90 C ATOM 341 O THR A 50 -13.841 -5.598 -1.588 1.00 2.37 O ATOM 342 CB THR A 50 -11.347 -3.617 -1.075 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.228 -3.683 -0.174 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.500 -2.204 -1.615 1.00 2.45 C ATOM 0 H THR A 50 -11.313 -4.095 1.306 1.00 1.71 H new ATOM 0 HA THR A 50 -13.264 -3.344 -0.717 1.00 1.95 H new ATOM 0 HB THR A 50 -11.172 -4.284 -1.919 1.00 2.44 H new ATOM 0 HG1 THR A 50 -10.072 -4.615 0.086 1.00 3.41 H new ATOM 0 HG21 THR A 50 -10.581 -1.906 -2.120 1.00 2.45 H new ATOM 0 HG22 THR A 50 -12.329 -2.172 -2.322 1.00 2.45 H new ATOM 0 HG23 THR A 50 -11.699 -1.519 -0.791 1.00 2.45 H new ATOM 352 N GLY A 51 -12.031 -6.410 -0.537 1.00 1.87 N ATOM 353 CA GLY A 51 -12.339 -7.781 -0.909 1.00 2.32 C ATOM 354 C GLY A 51 -11.154 -8.528 -1.499 1.00 1.77 C ATOM 355 O GLY A 51 -11.327 -9.558 -2.152 1.00 2.08 O ATOM 0 H GLY A 51 -11.184 -6.294 0.019 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.695 -8.317 -0.029 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.154 -7.779 -1.633 1.00 2.32 H new ATOM 359 N ARG A 52 -9.946 -8.021 -1.268 1.00 1.46 N ATOM 360 CA ARG A 52 -8.743 -8.668 -1.775 1.00 1.09 C ATOM 361 C ARG A 52 -8.215 -9.657 -0.753 1.00 1.03 C ATOM 362 O ARG A 52 -7.747 -9.261 0.316 1.00 1.29 O ATOM 363 CB ARG A 52 -7.628 -7.659 -2.082 1.00 1.22 C ATOM 364 CG ARG A 52 -7.887 -6.724 -3.254 1.00 1.55 C ATOM 365 CD ARG A 52 -8.903 -5.652 -2.910 1.00 1.67 C ATOM 366 NE ARG A 52 -8.574 -4.377 -3.538 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.424 -3.658 -4.267 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.634 -4.130 -4.561 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.048 -2.477 -4.734 1.00 3.14 N ATOM 0 H ARG A 52 -9.776 -7.168 -0.735 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.023 -9.174 -2.699 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.454 -7.055 -1.191 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -6.708 -8.210 -2.278 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -6.951 -6.253 -3.556 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.244 -7.301 -4.107 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.894 -5.972 -3.233 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -8.946 -5.525 -1.828 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.630 -4.013 -3.410 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.917 -5.051 -4.227 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.278 -3.570 -5.121 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.112 -2.124 -4.534 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -9.694 -1.921 -5.293 1.00 3.14 H new ATOM 383 N ASP A 53 -8.291 -10.935 -1.073 1.00 0.94 N ATOM 384 CA ASP A 53 -7.725 -11.953 -0.204 1.00 1.00 C ATOM 385 C ASP A 53 -6.204 -11.899 -0.278 1.00 0.89 C ATOM 386 O ASP A 53 -5.641 -11.537 -1.315 1.00 0.82 O ATOM 387 CB ASP A 53 -8.239 -13.351 -0.567 1.00 1.18 C ATOM 388 CG ASP A 53 -9.664 -13.583 -0.113 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.917 -13.579 1.111 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.548 -13.769 -0.979 1.00 2.10 O ATOM 0 H ASP A 53 -8.734 -11.292 -1.919 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.042 -11.749 0.819 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.179 -13.487 -1.647 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.591 -14.101 -0.114 1.00 1.18 H new ATOM 395 N PRO A 54 -5.523 -12.254 0.825 1.00 1.02 N ATOM 396 CA PRO A 54 -4.064 -12.119 0.960 1.00 1.10 C ATOM 397 C PRO A 54 -3.268 -12.701 -0.207 1.00 1.03 C ATOM 398 O PRO A 54 -2.223 -12.164 -0.572 1.00 1.68 O ATOM 399 CB PRO A 54 -3.760 -12.887 2.248 1.00 1.35 C ATOM 400 CG PRO A 54 -5.007 -12.779 3.047 1.00 1.43 C ATOM 401 CD PRO A 54 -6.132 -12.808 2.050 1.00 1.25 C ATOM 0 HA PRO A 54 -3.771 -11.069 0.975 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -3.510 -13.927 2.040 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -2.911 -12.455 2.777 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -5.091 -13.603 3.756 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -5.022 -11.856 3.627 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.501 -13.821 1.891 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -6.979 -12.208 2.383 1.00 1.25 H new ATOM 409 N LYS A 55 -3.755 -13.783 -0.800 1.00 0.89 N ATOM 410 CA LYS A 55 -3.013 -14.461 -1.858 1.00 0.96 C ATOM 411 C LYS A 55 -3.623 -14.214 -3.240 1.00 0.82 C ATOM 412 O LYS A 55 -3.319 -14.931 -4.196 1.00 0.92 O ATOM 413 CB LYS A 55 -2.939 -15.960 -1.559 1.00 1.26 C ATOM 414 CG LYS A 55 -2.118 -16.279 -0.317 1.00 1.53 C ATOM 415 CD LYS A 55 -2.135 -17.762 0.029 1.00 2.06 C ATOM 416 CE LYS A 55 -1.544 -18.617 -1.080 1.00 2.89 C ATOM 417 NZ LYS A 55 -0.177 -18.172 -1.470 1.00 3.61 N ATOM 0 H LYS A 55 -4.653 -14.208 -0.570 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.005 -14.046 -1.879 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -3.949 -16.349 -1.430 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -2.506 -16.475 -2.416 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -1.088 -15.958 -0.474 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -2.505 -15.708 0.527 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -1.574 -17.925 0.949 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -3.161 -18.077 0.221 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -1.506 -19.656 -0.753 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -2.198 -18.581 -1.951 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 0.251 -18.878 -2.102 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -0.237 -17.258 -1.962 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 0.411 -18.069 -0.618 1.00 3.61 H new ATOM 431 N GLN A 56 -4.463 -13.191 -3.356 1.00 0.72 N ATOM 432 CA GLN A 56 -5.054 -12.833 -4.647 1.00 0.73 C ATOM 433 C GLN A 56 -4.245 -11.738 -5.336 1.00 0.63 C ATOM 434 O GLN A 56 -4.480 -11.416 -6.502 1.00 0.79 O ATOM 435 CB GLN A 56 -6.494 -12.350 -4.478 1.00 0.87 C ATOM 436 CG GLN A 56 -7.473 -13.431 -4.056 1.00 1.32 C ATOM 437 CD GLN A 56 -8.896 -12.909 -3.987 1.00 1.92 C ATOM 438 OE1 GLN A 56 -9.125 -11.732 -3.705 1.00 2.50 O ATOM 439 NE2 GLN A 56 -9.861 -13.776 -4.239 1.00 2.41 N ATOM 0 H GLN A 56 -4.751 -12.596 -2.579 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.044 -13.732 -5.263 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.512 -11.551 -3.736 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.832 -11.918 -5.420 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.424 -14.261 -4.761 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -7.183 -13.824 -3.082 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -9.631 -14.743 -4.469 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -10.836 -13.478 -4.204 1.00 2.41 H new ATOM 448 N VAL A 57 -3.296 -11.167 -4.613 1.00 0.52 N ATOM 449 CA VAL A 57 -2.531 -10.032 -5.117 1.00 0.48 C ATOM 450 C VAL A 57 -1.128 -10.424 -5.552 1.00 0.55 C ATOM 451 O VAL A 57 -0.238 -9.587 -5.629 1.00 0.97 O ATOM 452 CB VAL A 57 -2.449 -9.059 -4.223 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.743 -8.251 -4.206 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.139 -9.616 -2.836 1.00 0.58 C ATOM 0 H VAL A 57 -3.035 -11.469 -3.674 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.078 -9.674 -5.990 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.630 -8.398 -4.506 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.664 -7.454 -3.467 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.914 -7.817 -5.191 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.576 -8.904 -3.947 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.077 -8.796 -2.120 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -2.930 -10.302 -2.534 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.188 -10.148 -2.862 1.00 0.58 H new ATOM 464 N ILE A 58 -0.923 -11.690 -5.842 1.00 0.51 N ATOM 465 CA ILE A 58 0.398 -12.152 -6.227 1.00 0.57 C ATOM 466 C ILE A 58 0.573 -12.034 -7.733 1.00 0.57 C ATOM 467 O ILE A 58 -0.137 -12.677 -8.510 1.00 0.66 O ATOM 468 CB ILE A 58 0.626 -13.395 -5.821 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.469 -13.490 -4.300 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.018 -13.861 -6.249 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.765 -14.860 -3.731 1.00 1.01 C ATOM 0 H ILE A 58 -1.643 -12.413 -5.820 1.00 0.51 H new ATOM 0 HA ILE A 58 1.132 -11.515 -5.733 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.107 -14.051 -6.290 1.00 0.70 H new ATOM 0 HG12 ILE A 58 1.132 -12.763 -3.831 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.550 -13.210 -4.033 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.182 -14.882 -5.905 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.095 -13.828 -7.336 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.771 -13.206 -5.812 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.631 -14.842 -2.649 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.085 -15.591 -4.169 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.793 -15.136 -3.964 1.00 1.01 H new ATOM 483 N GLY A 59 1.508 -11.184 -8.135 1.00 0.59 N ATOM 484 CA GLY A 59 1.670 -10.865 -9.536 1.00 0.66 C ATOM 485 C GLY A 59 0.974 -9.570 -9.864 1.00 0.56 C ATOM 486 O GLY A 59 1.155 -8.995 -10.935 1.00 0.65 O ATOM 0 H GLY A 59 2.159 -10.708 -7.511 1.00 0.59 H new ATOM 0 HA2 GLY A 59 2.730 -10.787 -9.777 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.262 -11.669 -10.148 1.00 0.66 H new ATOM 490 N LYS A 60 0.181 -9.118 -8.911 1.00 0.48 N ATOM 491 CA LYS A 60 -0.617 -7.923 -9.057 1.00 0.45 C ATOM 492 C LYS A 60 0.215 -6.673 -8.814 1.00 0.38 C ATOM 493 O LYS A 60 1.146 -6.682 -8.014 1.00 0.43 O ATOM 494 CB LYS A 60 -1.766 -7.981 -8.057 1.00 0.49 C ATOM 495 CG LYS A 60 -3.106 -8.350 -8.671 1.00 0.80 C ATOM 496 CD LYS A 60 -3.063 -9.692 -9.383 1.00 1.12 C ATOM 497 CE LYS A 60 -4.395 -10.007 -10.045 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.749 -9.003 -11.086 1.00 1.82 N ATOM 0 H LYS A 60 0.074 -9.577 -8.006 1.00 0.48 H new ATOM 0 HA LYS A 60 -1.001 -7.874 -10.076 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.522 -8.707 -7.281 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.857 -7.011 -7.568 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -3.866 -8.380 -7.890 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -3.405 -7.576 -9.377 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -2.274 -9.683 -10.135 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -2.814 -10.477 -8.669 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.350 -10.998 -10.497 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.179 -10.037 -9.288 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.527 -9.369 -11.671 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.047 -8.118 -10.628 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -3.920 -8.819 -11.687 1.00 1.82 H new ATOM 512 N ASN A 61 -0.124 -5.600 -9.510 1.00 0.43 N ATOM 513 CA ASN A 61 0.541 -4.323 -9.297 1.00 0.42 C ATOM 514 C ASN A 61 -0.402 -3.367 -8.577 1.00 0.39 C ATOM 515 O ASN A 61 -1.433 -2.978 -9.123 1.00 0.42 O ATOM 516 CB ASN A 61 0.987 -3.716 -10.626 1.00 0.52 C ATOM 517 CG ASN A 61 1.872 -2.496 -10.435 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.383 -1.378 -10.284 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.182 -2.701 -10.450 1.00 0.71 N ATOM 0 H ASN A 61 -0.852 -5.586 -10.224 1.00 0.43 H new ATOM 0 HA ASN A 61 1.426 -4.489 -8.683 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.527 -4.467 -11.203 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.109 -3.437 -11.208 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.822 -1.916 -10.334 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.549 -3.644 -10.578 1.00 0.71 H new ATOM 526 N PHE A 62 -0.054 -3.013 -7.346 1.00 0.38 N ATOM 527 CA PHE A 62 -0.886 -2.135 -6.524 1.00 0.40 C ATOM 528 C PHE A 62 -1.238 -0.843 -7.245 1.00 0.47 C ATOM 529 O PHE A 62 -2.404 -0.486 -7.352 1.00 0.70 O ATOM 530 CB PHE A 62 -0.169 -1.790 -5.217 1.00 0.43 C ATOM 531 CG PHE A 62 -1.002 -0.974 -4.268 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.731 0.370 -4.067 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.054 -1.551 -3.575 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.493 1.121 -3.195 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.820 -0.803 -2.700 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.539 0.536 -2.511 1.00 0.53 C ATOM 0 H PHE A 62 0.805 -3.322 -6.890 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.808 -2.678 -6.316 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.130 -2.714 -4.722 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.745 -1.242 -5.448 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.086 0.835 -4.599 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.278 -2.597 -3.720 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.270 2.168 -3.048 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.637 -1.265 -2.165 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.136 1.124 -1.830 1.00 0.53 H new ATOM 546 N PHE A 63 -0.226 -0.182 -7.778 1.00 0.46 N ATOM 547 CA PHE A 63 -0.375 1.176 -8.287 1.00 0.55 C ATOM 548 C PHE A 63 -1.067 1.212 -9.645 1.00 0.66 C ATOM 549 O PHE A 63 -1.174 2.273 -10.258 1.00 0.91 O ATOM 550 CB PHE A 63 1.001 1.834 -8.393 1.00 0.57 C ATOM 551 CG PHE A 63 1.751 1.868 -7.091 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.566 0.812 -6.716 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.637 2.953 -6.242 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.252 0.838 -5.517 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.323 2.986 -5.043 1.00 1.04 C ATOM 556 CZ PHE A 63 3.129 1.928 -4.679 1.00 1.16 C ATOM 0 H PHE A 63 0.715 -0.564 -7.871 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.004 1.724 -7.586 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.596 1.297 -9.132 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.880 2.853 -8.760 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.666 -0.042 -7.369 1.00 0.82 H new ATOM 0 HD2 PHE A 63 1.005 3.784 -6.519 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.883 0.008 -5.236 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.228 3.841 -4.390 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.663 1.952 -3.740 1.00 1.16 H new ATOM 566 N LYS A 64 -1.538 0.067 -10.118 1.00 0.57 N ATOM 567 CA LYS A 64 -2.156 -0.002 -11.435 1.00 0.72 C ATOM 568 C LYS A 64 -3.368 -0.929 -11.454 1.00 0.72 C ATOM 569 O LYS A 64 -4.427 -0.563 -11.961 1.00 0.90 O ATOM 570 CB LYS A 64 -1.126 -0.451 -12.467 1.00 0.82 C ATOM 571 CG LYS A 64 0.000 0.552 -12.636 1.00 1.56 C ATOM 572 CD LYS A 64 1.051 0.065 -13.604 1.00 2.11 C ATOM 573 CE LYS A 64 2.185 1.068 -13.724 1.00 2.85 C ATOM 574 NZ LYS A 64 3.296 0.567 -14.572 1.00 3.58 N ATOM 0 H LYS A 64 -1.505 -0.820 -9.615 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.513 0.997 -11.687 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.710 -1.413 -12.166 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.620 -0.603 -13.427 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.408 1.499 -12.990 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.461 0.746 -11.668 1.00 1.56 H new ATOM 0 HD2 LYS A 64 1.443 -0.895 -13.268 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.601 -0.100 -14.583 1.00 2.11 H new ATOM 0 HE2 LYS A 64 1.801 1.998 -14.144 1.00 2.85 H new ATOM 0 HE3 LYS A 64 2.567 1.301 -12.730 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 4.045 1.286 -14.623 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 3.682 -0.306 -14.159 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 2.940 0.369 -15.529 1.00 3.58 H new ATOM 588 N ASP A 65 -3.226 -2.120 -10.891 1.00 0.60 N ATOM 589 CA ASP A 65 -4.275 -3.131 -10.992 1.00 0.69 C ATOM 590 C ASP A 65 -5.137 -3.196 -9.734 1.00 0.74 C ATOM 591 O ASP A 65 -6.297 -3.613 -9.791 1.00 1.10 O ATOM 592 CB ASP A 65 -3.643 -4.501 -11.249 1.00 0.79 C ATOM 593 CG ASP A 65 -4.670 -5.604 -11.433 1.00 1.38 C ATOM 594 OD1 ASP A 65 -5.254 -5.697 -12.534 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.885 -6.391 -10.485 1.00 2.20 O ATOM 0 H ASP A 65 -2.403 -2.411 -10.363 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.923 -2.850 -11.822 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -3.016 -4.444 -12.139 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -2.990 -4.756 -10.414 1.00 0.79 H new ATOM 600 N VAL A 66 -4.594 -2.756 -8.602 1.00 0.70 N ATOM 601 CA VAL A 66 -5.339 -2.823 -7.346 1.00 0.82 C ATOM 602 C VAL A 66 -5.510 -1.426 -6.736 1.00 0.70 C ATOM 603 O VAL A 66 -5.887 -1.288 -5.571 1.00 0.80 O ATOM 604 CB VAL A 66 -4.741 -3.616 -6.451 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.757 -4.179 -5.461 1.00 1.45 C ATOM 606 CG2 VAL A 66 -3.954 -4.747 -7.104 1.00 1.77 C ATOM 0 H VAL A 66 -3.659 -2.356 -8.527 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.316 -3.243 -7.586 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.025 -2.995 -5.912 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.248 -4.821 -4.742 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.244 -3.359 -4.933 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -6.506 -4.760 -5.999 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -3.489 -5.360 -6.332 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.628 -5.363 -7.699 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -3.181 -4.328 -7.749 1.00 1.77 H new ATOM 616 N ALA A 67 -5.247 -0.399 -7.548 1.00 0.56 N ATOM 617 CA ALA A 67 -5.338 1.003 -7.124 1.00 0.53 C ATOM 618 C ALA A 67 -4.763 1.921 -8.199 1.00 0.49 C ATOM 619 O ALA A 67 -3.577 2.241 -8.178 1.00 0.61 O ATOM 620 CB ALA A 67 -4.605 1.246 -5.806 1.00 0.60 C ATOM 0 H ALA A 67 -4.964 -0.515 -8.521 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.394 1.227 -6.974 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.696 2.296 -5.527 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.043 0.624 -5.026 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.552 0.992 -5.923 1.00 0.60 H new ATOM 626 N PRO A 68 -5.580 2.320 -9.181 1.00 0.44 N ATOM 627 CA PRO A 68 -5.159 3.200 -10.257 1.00 0.47 C ATOM 628 C PRO A 68 -5.490 4.677 -10.007 1.00 0.55 C ATOM 629 O PRO A 68 -5.810 5.409 -10.944 1.00 0.81 O ATOM 630 CB PRO A 68 -5.955 2.662 -11.451 1.00 0.56 C ATOM 631 CG PRO A 68 -7.122 1.914 -10.870 1.00 0.69 C ATOM 632 CD PRO A 68 -6.965 1.907 -9.368 1.00 0.47 C ATOM 0 HA PRO A 68 -4.077 3.194 -10.389 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.294 3.476 -12.092 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.339 2.006 -12.067 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.060 2.390 -11.154 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.153 0.895 -11.256 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.660 2.595 -8.886 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.152 0.919 -8.947 1.00 0.47 H new ATOM 640 N CYS A 69 -5.401 5.121 -8.758 1.00 0.51 N ATOM 641 CA CYS A 69 -5.514 6.547 -8.457 1.00 0.61 C ATOM 642 C CYS A 69 -4.254 7.026 -7.747 1.00 0.59 C ATOM 643 O CYS A 69 -4.136 8.207 -7.415 1.00 0.81 O ATOM 644 CB CYS A 69 -6.759 6.872 -7.615 1.00 0.85 C ATOM 645 SG CYS A 69 -6.692 6.338 -5.867 1.00 0.81 S ATOM 0 H CYS A 69 -5.253 4.524 -7.945 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.625 7.075 -9.404 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.922 7.949 -7.641 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.625 6.407 -8.085 1.00 0.85 H new ATOM 0 HG CYS A 69 -5.678 5.542 -5.695 1.00 0.81 H new ATOM 650 N THR A 70 -3.205 6.243 -7.930 1.00 0.61 N ATOM 651 CA THR A 70 -2.324 5.892 -6.841 1.00 0.58 C ATOM 652 C THR A 70 -0.876 6.142 -7.251 1.00 0.55 C ATOM 653 O THR A 70 -0.098 6.742 -6.502 1.00 0.64 O ATOM 654 CB THR A 70 -2.494 4.624 -6.520 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.884 4.381 -6.255 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.674 4.234 -5.304 1.00 1.07 C ATOM 0 H THR A 70 -2.946 5.839 -8.830 1.00 0.61 H new ATOM 0 HA THR A 70 -2.558 6.509 -5.973 1.00 0.58 H new ATOM 0 HB THR A 70 -2.156 4.018 -7.361 1.00 0.63 H new ATOM 0 HG1 THR A 70 -4.036 4.374 -5.287 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.843 3.182 -5.073 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.616 4.395 -5.512 1.00 1.07 H new ATOM 0 HG23 THR A 70 -1.973 4.845 -4.452 1.00 1.07 H new ATOM 664 N ASP A 71 -0.529 5.726 -8.468 1.00 0.55 N ATOM 665 CA ASP A 71 0.809 5.968 -8.993 1.00 0.63 C ATOM 666 C ASP A 71 0.952 7.445 -9.356 1.00 0.70 C ATOM 667 O ASP A 71 0.396 7.928 -10.343 1.00 0.88 O ATOM 668 CB ASP A 71 1.138 5.044 -10.187 1.00 0.76 C ATOM 669 CG ASP A 71 0.462 5.421 -11.503 1.00 0.96 C ATOM 670 OD1 ASP A 71 -0.773 5.272 -11.619 1.00 1.85 O ATOM 671 OD2 ASP A 71 1.174 5.852 -12.439 1.00 1.34 O ATOM 0 H ASP A 71 -1.151 5.225 -9.102 1.00 0.55 H new ATOM 0 HA ASP A 71 1.537 5.726 -8.219 1.00 0.63 H new ATOM 0 HB2 ASP A 71 2.217 5.042 -10.338 1.00 0.76 H new ATOM 0 HB3 ASP A 71 0.851 4.025 -9.928 1.00 0.76 H new ATOM 676 N SER A 72 1.657 8.176 -8.505 1.00 0.66 N ATOM 677 CA SER A 72 1.762 9.622 -8.630 1.00 0.77 C ATOM 678 C SER A 72 2.923 10.124 -7.784 1.00 0.76 C ATOM 679 O SER A 72 3.415 9.392 -6.921 1.00 0.71 O ATOM 680 CB SER A 72 0.460 10.292 -8.163 1.00 0.88 C ATOM 681 OG SER A 72 -0.648 9.891 -8.950 1.00 1.56 O ATOM 0 H SER A 72 2.169 7.787 -7.713 1.00 0.66 H new ATOM 0 HA SER A 72 1.935 9.874 -9.676 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.275 10.039 -7.119 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.570 11.375 -8.214 1.00 0.88 H new ATOM 0 HG SER A 72 -0.329 9.433 -9.755 1.00 1.56 H new ATOM 687 N PRO A 73 3.374 11.374 -8.014 1.00 0.90 N ATOM 688 CA PRO A 73 4.444 11.997 -7.226 1.00 0.99 C ATOM 689 C PRO A 73 4.208 11.886 -5.719 1.00 0.96 C ATOM 690 O PRO A 73 5.159 11.815 -4.939 1.00 1.05 O ATOM 691 CB PRO A 73 4.419 13.471 -7.666 1.00 1.13 C ATOM 692 CG PRO A 73 3.195 13.629 -8.509 1.00 1.17 C ATOM 693 CD PRO A 73 2.901 12.273 -9.075 1.00 1.05 C ATOM 0 HA PRO A 73 5.402 11.506 -7.399 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.386 14.135 -6.802 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.317 13.725 -8.230 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.357 13.993 -7.915 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.361 14.356 -9.304 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.838 12.139 -9.276 1.00 1.05 H new ATOM 0 HD3 PRO A 73 3.427 12.103 -10.015 1.00 1.05 H new ATOM 701 N GLU A 74 2.942 11.876 -5.313 1.00 0.91 N ATOM 702 CA GLU A 74 2.593 11.687 -3.913 1.00 0.96 C ATOM 703 C GLU A 74 2.882 10.264 -3.453 1.00 0.93 C ATOM 704 O GLU A 74 3.994 9.941 -3.039 1.00 1.25 O ATOM 705 CB GLU A 74 1.114 11.994 -3.658 1.00 1.07 C ATOM 706 CG GLU A 74 0.753 13.463 -3.708 1.00 0.90 C ATOM 707 CD GLU A 74 0.731 14.024 -5.114 1.00 1.59 C ATOM 708 OE1 GLU A 74 1.790 14.470 -5.601 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.346 14.013 -5.740 1.00 1.58 O ATOM 0 H GLU A 74 2.143 11.997 -5.935 1.00 0.91 H new ATOM 0 HA GLU A 74 3.210 12.383 -3.344 1.00 0.96 H new ATOM 0 HB2 GLU A 74 0.514 11.462 -4.396 1.00 1.07 H new ATOM 0 HB3 GLU A 74 0.839 11.600 -2.680 1.00 1.07 H new ATOM 0 HG2 GLU A 74 -0.226 13.606 -3.251 1.00 0.90 H new ATOM 0 HG3 GLU A 74 1.469 14.027 -3.110 1.00 0.90 H new ATOM 716 N PHE A 75 1.873 9.408 -3.564 1.00 0.80 N ATOM 717 CA PHE A 75 1.914 8.083 -2.966 1.00 0.79 C ATOM 718 C PHE A 75 3.060 7.246 -3.522 1.00 0.66 C ATOM 719 O PHE A 75 3.910 6.785 -2.765 1.00 0.66 O ATOM 720 CB PHE A 75 0.569 7.380 -3.165 1.00 0.87 C ATOM 721 CG PHE A 75 0.423 6.110 -2.369 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.808 4.891 -2.897 1.00 2.26 C ATOM 723 CD2 PHE A 75 -0.097 6.142 -1.085 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.677 3.727 -2.161 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.233 4.982 -0.344 1.00 2.61 C ATOM 726 CZ PHE A 75 0.156 3.773 -0.884 1.00 3.36 C ATOM 0 H PHE A 75 1.010 9.613 -4.068 1.00 0.80 H new ATOM 0 HA PHE A 75 2.097 8.198 -1.898 1.00 0.79 H new ATOM 0 HB2 PHE A 75 -0.233 8.065 -2.889 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.442 7.151 -4.223 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.216 4.847 -3.896 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.400 7.086 -0.657 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.982 2.782 -2.586 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.643 5.022 0.655 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.053 2.865 -0.308 1.00 3.36 H new ATOM 736 N TYR A 76 3.097 7.070 -4.836 1.00 0.59 N ATOM 737 CA TYR A 76 4.149 6.273 -5.458 1.00 0.50 C ATOM 738 C TYR A 76 5.497 6.974 -5.327 1.00 0.47 C ATOM 739 O TYR A 76 6.518 6.334 -5.088 1.00 0.49 O ATOM 740 CB TYR A 76 3.836 6.000 -6.935 1.00 0.51 C ATOM 741 CG TYR A 76 4.832 5.069 -7.598 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.718 5.545 -8.553 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.881 3.717 -7.277 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.624 4.710 -9.174 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.790 2.871 -7.892 1.00 0.59 C ATOM 746 CZ TYR A 76 6.663 3.341 -8.789 1.00 0.65 C ATOM 747 OH TYR A 76 7.556 2.537 -9.471 1.00 0.79 O ATOM 0 H TYR A 76 2.418 7.464 -5.488 1.00 0.59 H new ATOM 0 HA TYR A 76 4.196 5.316 -4.938 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.838 5.569 -7.014 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.818 6.946 -7.476 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.698 6.592 -8.816 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.201 3.321 -6.538 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.289 5.088 -9.936 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.793 1.820 -7.644 1.00 0.59 H new ATOM 0 HH TYR A 76 7.501 1.621 -9.127 1.00 0.79 H new ATOM 757 N GLY A 77 5.482 8.295 -5.468 1.00 0.48 N ATOM 758 CA GLY A 77 6.702 9.075 -5.383 1.00 0.50 C ATOM 759 C GLY A 77 7.388 8.944 -4.040 1.00 0.52 C ATOM 760 O GLY A 77 8.592 8.710 -3.976 1.00 0.60 O ATOM 0 H GLY A 77 4.639 8.843 -5.641 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.387 8.757 -6.169 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.471 10.124 -5.567 1.00 0.50 H new ATOM 764 N LYS A 78 6.627 9.080 -2.960 1.00 0.53 N ATOM 765 CA LYS A 78 7.203 8.977 -1.621 1.00 0.60 C ATOM 766 C LYS A 78 7.487 7.521 -1.272 1.00 0.59 C ATOM 767 O LYS A 78 8.408 7.228 -0.510 1.00 0.66 O ATOM 768 CB LYS A 78 6.285 9.614 -0.572 1.00 0.69 C ATOM 769 CG LYS A 78 5.972 11.096 -0.806 1.00 0.77 C ATOM 770 CD LYS A 78 7.202 11.999 -0.711 1.00 1.17 C ATOM 771 CE LYS A 78 8.083 11.911 -1.950 1.00 1.41 C ATOM 772 NZ LYS A 78 9.152 12.944 -1.957 1.00 2.09 N ATOM 0 H LYS A 78 5.623 9.259 -2.982 1.00 0.53 H new ATOM 0 HA LYS A 78 8.145 9.525 -1.618 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.347 9.059 -0.545 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.748 9.505 0.409 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.520 11.213 -1.791 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.233 11.423 -0.075 1.00 0.77 H new ATOM 0 HD2 LYS A 78 6.882 13.031 -0.569 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.786 11.722 0.167 1.00 1.17 H new ATOM 0 HE2 LYS A 78 8.537 10.921 -2.001 1.00 1.41 H new ATOM 0 HE3 LYS A 78 7.465 12.024 -2.841 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 9.878 12.687 -2.656 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.742 13.866 -2.207 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 9.585 13.002 -1.013 1.00 2.09 H new ATOM 786 N PHE A 79 6.703 6.616 -1.849 1.00 0.52 N ATOM 787 CA PHE A 79 6.933 5.182 -1.708 1.00 0.50 C ATOM 788 C PHE A 79 8.322 4.828 -2.233 1.00 0.51 C ATOM 789 O PHE A 79 9.056 4.051 -1.626 1.00 0.56 O ATOM 790 CB PHE A 79 5.851 4.414 -2.481 1.00 0.48 C ATOM 791 CG PHE A 79 5.975 2.917 -2.415 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.334 2.194 -1.420 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.727 2.234 -3.356 1.00 0.53 C ATOM 794 CE1 PHE A 79 5.445 0.821 -1.368 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.841 0.861 -3.305 1.00 0.61 C ATOM 796 CZ PHE A 79 6.199 0.156 -2.310 1.00 0.65 C ATOM 0 H PHE A 79 5.895 6.854 -2.424 1.00 0.52 H new ATOM 0 HA PHE A 79 6.880 4.903 -0.656 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.874 4.701 -2.093 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.883 4.722 -3.526 1.00 0.48 H new ATOM 0 HD1 PHE A 79 4.743 2.711 -0.679 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.230 2.783 -4.139 1.00 0.53 H new ATOM 0 HE1 PHE A 79 4.941 0.267 -0.590 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.432 0.339 -4.043 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.287 -0.920 -2.269 1.00 0.65 H new ATOM 806 N LYS A 80 8.678 5.435 -3.354 1.00 0.51 N ATOM 807 CA LYS A 80 9.956 5.179 -4.004 1.00 0.58 C ATOM 808 C LYS A 80 11.049 6.088 -3.454 1.00 0.63 C ATOM 809 O LYS A 80 12.232 5.880 -3.722 1.00 0.66 O ATOM 810 CB LYS A 80 9.823 5.389 -5.510 1.00 0.64 C ATOM 811 CG LYS A 80 8.797 4.474 -6.152 1.00 0.69 C ATOM 812 CD LYS A 80 9.208 3.013 -6.052 1.00 0.72 C ATOM 813 CE LYS A 80 10.421 2.708 -6.917 1.00 0.93 C ATOM 814 NZ LYS A 80 10.184 3.034 -8.350 1.00 1.09 N ATOM 0 H LYS A 80 8.093 6.116 -3.838 1.00 0.51 H new ATOM 0 HA LYS A 80 10.237 4.146 -3.800 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.547 6.426 -5.703 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.792 5.224 -5.980 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.830 4.614 -5.668 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.671 4.746 -7.200 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.431 2.768 -5.014 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.375 2.379 -6.357 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.277 3.276 -6.553 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.676 1.652 -6.823 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.833 2.479 -8.944 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.202 2.803 -8.601 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.352 4.048 -8.508 1.00 1.09 H new ATOM 828 N GLU A 81 10.648 7.086 -2.678 1.00 0.67 N ATOM 829 CA GLU A 81 11.584 8.071 -2.152 1.00 0.78 C ATOM 830 C GLU A 81 12.532 7.426 -1.148 1.00 0.67 C ATOM 831 O GLU A 81 13.729 7.716 -1.130 1.00 0.70 O ATOM 832 CB GLU A 81 10.827 9.226 -1.493 1.00 0.94 C ATOM 833 CG GLU A 81 11.671 10.474 -1.304 1.00 1.25 C ATOM 834 CD GLU A 81 12.103 11.077 -2.624 1.00 1.57 C ATOM 835 OE1 GLU A 81 11.359 11.919 -3.172 1.00 2.07 O ATOM 836 OE2 GLU A 81 13.194 10.712 -3.114 1.00 2.04 O ATOM 0 H GLU A 81 9.679 7.235 -2.398 1.00 0.67 H new ATOM 0 HA GLU A 81 12.171 8.464 -2.982 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.957 9.474 -2.101 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.454 8.899 -0.522 1.00 0.94 H new ATOM 0 HG2 GLU A 81 11.103 11.212 -0.738 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.553 10.228 -0.713 1.00 1.25 H new ATOM 843 N GLY A 82 11.989 6.542 -0.325 1.00 0.62 N ATOM 844 CA GLY A 82 12.805 5.840 0.644 1.00 0.62 C ATOM 845 C GLY A 82 13.695 4.816 -0.028 1.00 0.62 C ATOM 846 O GLY A 82 14.806 4.549 0.421 1.00 0.72 O ATOM 0 H GLY A 82 10.999 6.298 -0.310 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.419 6.555 1.192 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.163 5.345 1.373 1.00 0.62 H new ATOM 850 N VAL A 83 13.186 4.249 -1.111 1.00 0.58 N ATOM 851 CA VAL A 83 13.925 3.287 -1.917 1.00 0.66 C ATOM 852 C VAL A 83 15.119 3.954 -2.591 1.00 0.73 C ATOM 853 O VAL A 83 16.251 3.482 -2.484 1.00 0.85 O ATOM 854 CB VAL A 83 13.144 2.765 -2.853 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.842 1.607 -3.557 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.807 2.323 -2.275 1.00 0.65 C ATOM 0 H VAL A 83 12.246 4.443 -1.457 1.00 0.58 H new ATOM 0 HA VAL A 83 14.276 2.498 -1.251 1.00 0.66 H new ATOM 0 HB VAL A 83 12.945 3.542 -3.591 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.182 1.195 -4.320 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.759 1.965 -4.025 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.084 0.832 -2.830 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.190 1.900 -3.068 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.975 1.570 -1.505 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.298 3.182 -1.838 1.00 0.65 H new ATOM 866 N ALA A 84 14.855 5.074 -3.260 1.00 0.70 N ATOM 867 CA ALA A 84 15.877 5.797 -4.013 1.00 0.81 C ATOM 868 C ALA A 84 17.016 6.266 -3.114 1.00 0.92 C ATOM 869 O ALA A 84 18.182 6.248 -3.514 1.00 1.14 O ATOM 870 CB ALA A 84 15.257 6.984 -4.734 1.00 0.85 C ATOM 0 H ALA A 84 13.931 5.504 -3.296 1.00 0.70 H new ATOM 0 HA ALA A 84 16.296 5.108 -4.746 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.029 7.515 -5.292 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.490 6.631 -5.423 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.808 7.658 -4.005 1.00 0.85 H new ATOM 876 N SER A 85 16.679 6.690 -1.906 1.00 0.92 N ATOM 877 CA SER A 85 17.687 7.138 -0.961 1.00 1.12 C ATOM 878 C SER A 85 18.401 5.943 -0.333 1.00 1.16 C ATOM 879 O SER A 85 19.561 5.661 -0.642 1.00 1.40 O ATOM 880 CB SER A 85 17.044 8.021 0.113 1.00 1.38 C ATOM 881 OG SER A 85 15.833 7.450 0.595 1.00 1.82 O ATOM 0 H SER A 85 15.721 6.733 -1.559 1.00 0.92 H new ATOM 0 HA SER A 85 18.431 7.731 -1.493 1.00 1.12 H new ATOM 0 HB2 SER A 85 17.740 8.155 0.941 1.00 1.38 H new ATOM 0 HB3 SER A 85 16.844 9.010 -0.299 1.00 1.38 H new ATOM 0 HG SER A 85 15.099 7.677 -0.014 1.00 1.82 H new ATOM 887 N GLY A 86 17.697 5.232 0.528 1.00 1.12 N ATOM 888 CA GLY A 86 18.269 4.085 1.191 1.00 1.47 C ATOM 889 C GLY A 86 17.213 3.234 1.860 1.00 1.35 C ATOM 890 O GLY A 86 16.908 2.130 1.406 1.00 1.65 O ATOM 0 H GLY A 86 16.729 5.432 0.782 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.815 3.482 0.466 1.00 1.47 H new ATOM 0 HA3 GLY A 86 18.991 4.419 1.936 1.00 1.47 H new ATOM 894 N ASN A 87 16.639 3.758 2.930 1.00 1.30 N ATOM 895 CA ASN A 87 15.635 3.031 3.689 1.00 1.28 C ATOM 896 C ASN A 87 14.390 3.881 3.868 1.00 0.81 C ATOM 897 O ASN A 87 14.442 5.110 3.763 1.00 1.19 O ATOM 898 CB ASN A 87 16.188 2.615 5.059 1.00 1.94 C ATOM 899 CG ASN A 87 16.501 3.801 5.952 1.00 2.79 C ATOM 900 OD1 ASN A 87 15.658 4.251 6.729 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.714 4.318 5.848 1.00 3.16 N ATOM 0 H ASN A 87 16.852 4.687 3.294 1.00 1.30 H new ATOM 0 HA ASN A 87 15.372 2.132 3.132 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.463 1.972 5.558 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.093 2.025 4.916 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.979 5.118 6.423 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.385 3.917 5.192 1.00 3.16 H new ATOM 908 N LEU A 88 13.274 3.225 4.126 1.00 0.61 N ATOM 909 CA LEU A 88 12.019 3.913 4.335 1.00 0.75 C ATOM 910 C LEU A 88 11.260 3.274 5.484 1.00 0.56 C ATOM 911 O LEU A 88 11.209 2.047 5.598 1.00 1.00 O ATOM 912 CB LEU A 88 11.154 3.921 3.061 1.00 1.61 C ATOM 913 CG LEU A 88 10.805 2.550 2.466 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.613 2.666 1.531 1.00 2.96 C ATOM 915 CD2 LEU A 88 11.990 1.966 1.711 1.00 2.90 C ATOM 0 H LEU A 88 13.214 2.209 4.196 1.00 0.61 H new ATOM 0 HA LEU A 88 12.245 4.950 4.585 1.00 0.75 H new ATOM 0 HB2 LEU A 88 10.224 4.444 3.283 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.673 4.502 2.299 1.00 1.61 H new ATOM 0 HG LEU A 88 10.553 1.883 3.290 1.00 2.22 H new ATOM 0 HD11 LEU A 88 9.378 1.685 1.117 1.00 2.96 H new ATOM 0 HD12 LEU A 88 8.752 3.042 2.084 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.852 3.354 0.720 1.00 2.96 H new ATOM 0 HD21 LEU A 88 11.716 0.995 1.299 1.00 2.90 H new ATOM 0 HD22 LEU A 88 12.271 2.638 0.900 1.00 2.90 H new ATOM 0 HD23 LEU A 88 12.833 1.847 2.392 1.00 2.90 H new ATOM 927 N ASN A 89 10.715 4.116 6.347 1.00 0.54 N ATOM 928 CA ASN A 89 9.872 3.678 7.453 1.00 0.47 C ATOM 929 C ASN A 89 9.109 4.869 7.989 1.00 0.59 C ATOM 930 O ASN A 89 9.007 5.101 9.197 1.00 0.97 O ATOM 931 CB ASN A 89 10.687 2.985 8.554 1.00 0.50 C ATOM 932 CG ASN A 89 11.659 3.902 9.282 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.123 4.909 8.741 1.00 2.24 O ATOM 934 ND2 ASN A 89 11.994 3.545 10.513 1.00 1.82 N ATOM 0 H ASN A 89 10.844 5.127 6.302 1.00 0.54 H new ATOM 0 HA ASN A 89 9.165 2.934 7.087 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.000 2.552 9.281 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.245 2.160 8.112 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.656 4.110 11.045 1.00 1.82 H new ATOM 0 HD22 ASN A 89 11.590 2.706 10.928 1.00 1.82 H new ATOM 941 N THR A 90 8.529 5.594 7.056 1.00 0.51 N ATOM 942 CA THR A 90 7.875 6.845 7.344 1.00 0.61 C ATOM 943 C THR A 90 6.362 6.657 7.328 1.00 0.53 C ATOM 944 O THR A 90 5.852 5.695 6.753 1.00 0.51 O ATOM 945 CB THR A 90 8.231 7.756 6.452 1.00 0.75 C ATOM 946 OG1 THR A 90 9.635 7.617 6.168 1.00 1.63 O ATOM 947 CG2 THR A 90 7.953 9.173 6.932 1.00 1.39 C ATOM 0 H THR A 90 8.500 5.327 6.072 1.00 0.51 H new ATOM 0 HA THR A 90 8.177 7.185 8.335 1.00 0.61 H new ATOM 0 HB THR A 90 7.637 7.590 5.554 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.903 8.289 5.506 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.262 9.884 6.166 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.887 9.289 7.126 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.511 9.363 7.849 1.00 1.39 H new ATOM 955 N MET A 91 5.663 7.507 8.052 1.00 0.55 N ATOM 956 CA MET A 91 4.210 7.526 8.026 1.00 0.51 C ATOM 957 C MET A 91 3.707 8.821 7.393 1.00 0.57 C ATOM 958 O MET A 91 3.940 9.916 7.911 1.00 0.75 O ATOM 959 CB MET A 91 3.633 7.351 9.439 1.00 0.60 C ATOM 960 CG MET A 91 4.099 8.398 10.442 1.00 1.14 C ATOM 961 SD MET A 91 3.350 8.185 12.068 1.00 1.61 S ATOM 962 CE MET A 91 4.131 9.523 12.970 1.00 1.77 C ATOM 0 H MET A 91 6.080 8.201 8.672 1.00 0.55 H new ATOM 0 HA MET A 91 3.868 6.688 7.418 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.545 7.380 9.380 1.00 0.60 H new ATOM 0 HB3 MET A 91 3.906 6.363 9.810 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.184 8.347 10.537 1.00 1.14 H new ATOM 0 HG3 MET A 91 3.858 9.391 10.063 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.771 9.527 13.999 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.212 9.383 12.964 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.885 10.473 12.496 1.00 1.77 H new ATOM 972 N PHE A 92 3.043 8.689 6.255 1.00 0.49 N ATOM 973 CA PHE A 92 2.483 9.836 5.553 1.00 0.55 C ATOM 974 C PHE A 92 0.973 9.671 5.449 1.00 0.48 C ATOM 975 O PHE A 92 0.466 8.557 5.491 1.00 0.47 O ATOM 976 CB PHE A 92 3.101 9.959 4.155 1.00 0.72 C ATOM 977 CG PHE A 92 2.865 11.288 3.487 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.761 11.483 2.672 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.739 12.346 3.681 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.536 12.703 2.066 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.521 13.569 3.079 1.00 2.86 C ATOM 982 CZ PHE A 92 2.439 13.736 2.236 1.00 3.01 C ATOM 0 H PHE A 92 2.878 7.794 5.795 1.00 0.49 H new ATOM 0 HA PHE A 92 2.711 10.746 6.109 1.00 0.55 H new ATOM 0 HB2 PHE A 92 4.175 9.789 4.229 1.00 0.72 H new ATOM 0 HB3 PHE A 92 2.696 9.170 3.521 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.068 10.671 2.509 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.604 12.212 4.313 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.655 12.850 1.459 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.194 14.393 3.266 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.299 14.670 1.712 1.00 3.01 H new ATOM 992 N GLU A 93 0.260 10.771 5.313 1.00 0.48 N ATOM 993 CA GLU A 93 -1.192 10.725 5.254 1.00 0.47 C ATOM 994 C GLU A 93 -1.692 10.927 3.828 1.00 0.45 C ATOM 995 O GLU A 93 -1.417 11.946 3.193 1.00 0.53 O ATOM 996 CB GLU A 93 -1.790 11.770 6.193 1.00 0.58 C ATOM 997 CG GLU A 93 -1.107 13.120 6.104 1.00 1.30 C ATOM 998 CD GLU A 93 -1.753 14.151 6.998 1.00 1.73 C ATOM 999 OE1 GLU A 93 -2.781 14.730 6.602 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -1.220 14.397 8.098 1.00 2.04 O ATOM 0 H GLU A 93 0.659 11.707 5.241 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.517 9.737 5.580 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -2.849 11.891 5.963 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.726 11.406 7.218 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -0.057 13.012 6.378 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -1.133 13.470 5.072 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.436 9.950 3.338 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.922 9.954 1.967 1.00 0.51 C ATOM 1009 C TYR A 94 -4.427 9.754 1.920 1.00 0.42 C ATOM 1010 O TYR A 94 -5.053 9.406 2.919 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.236 8.863 1.145 1.00 0.69 C ATOM 1012 CG TYR A 94 -0.825 9.202 0.739 1.00 1.24 C ATOM 1013 CD1 TYR A 94 0.247 8.495 1.266 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -0.564 10.229 -0.157 1.00 1.19 C ATOM 1015 CE1 TYR A 94 1.543 8.801 0.908 1.00 2.86 C ATOM 1016 CE2 TYR A 94 0.728 10.542 -0.520 1.00 1.83 C ATOM 1017 CZ TYR A 94 1.766 9.826 -0.029 1.00 2.64 C ATOM 1018 OH TYR A 94 3.062 10.131 -0.356 1.00 3.37 O ATOM 0 H TYR A 94 -2.720 9.132 3.878 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.683 10.927 1.538 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -2.225 7.939 1.723 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.826 8.672 0.249 1.00 0.69 H new ATOM 0 HD1 TYR A 94 0.063 7.694 1.966 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.385 10.791 -0.576 1.00 1.19 H new ATOM 0 HE1 TYR A 94 2.373 8.262 1.340 1.00 2.86 H new ATOM 0 HE2 TYR A 94 0.913 11.362 -1.199 1.00 1.83 H new ATOM 0 HH TYR A 94 3.138 11.093 -0.528 1.00 3.37 H new ATOM 1028 N THR A 95 -5.005 10.003 0.761 1.00 0.46 N ATOM 1029 CA THR A 95 -6.422 9.789 0.556 1.00 0.46 C ATOM 1030 C THR A 95 -6.658 8.550 -0.312 1.00 0.47 C ATOM 1031 O THR A 95 -5.886 8.275 -1.231 1.00 0.60 O ATOM 1032 CB THR A 95 -6.968 10.851 -0.014 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.524 12.031 0.675 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.490 10.800 0.000 1.00 1.09 C ATOM 0 H THR A 95 -4.510 10.356 -0.058 1.00 0.46 H new ATOM 0 HA THR A 95 -6.890 9.629 1.527 1.00 0.46 H new ATOM 0 HB THR A 95 -6.653 10.868 -1.057 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.923 12.823 0.258 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.888 11.694 -0.479 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.829 9.917 -0.541 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.843 10.753 1.030 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.665 7.764 0.037 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.089 6.644 -0.787 1.00 0.53 C ATOM 1044 C PHE A 96 -9.374 7.027 -1.494 1.00 0.62 C ATOM 1045 O PHE A 96 -10.376 7.340 -0.853 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.292 5.381 0.052 1.00 0.69 C ATOM 1047 CG PHE A 96 -7.016 4.756 0.540 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.854 4.857 -0.206 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.976 4.077 1.748 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.676 4.294 0.243 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.803 3.510 2.201 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.664 3.579 1.436 1.00 1.03 C ATOM 0 H PHE A 96 -8.207 7.883 0.893 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.312 6.421 -1.519 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.916 5.625 0.912 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.839 4.648 -0.541 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.869 5.382 -1.150 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.874 3.991 2.342 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.768 4.408 -0.330 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.780 3.011 3.159 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.763 3.080 1.760 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.334 7.018 -2.813 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.416 7.564 -3.618 1.00 0.88 C ATOM 1064 C ASP A 97 -10.600 6.703 -4.867 1.00 0.95 C ATOM 1065 O ASP A 97 -10.178 5.542 -4.876 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.069 9.016 -3.978 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.263 9.839 -4.412 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -11.559 9.880 -5.625 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -11.899 10.473 -3.547 1.00 2.57 O ATOM 0 H ASP A 97 -8.559 6.636 -3.355 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.356 7.556 -3.066 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -9.604 9.493 -3.115 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -9.329 9.015 -4.779 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.235 7.259 -5.901 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.430 6.572 -7.180 1.00 1.30 C ATOM 1076 C TYR A 98 -12.422 5.415 -7.039 1.00 1.26 C ATOM 1077 O TYR A 98 -13.586 5.532 -7.425 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.081 6.081 -7.726 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.151 5.355 -9.049 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.087 3.967 -9.106 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.269 6.057 -10.242 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.140 3.302 -10.315 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.325 5.396 -11.454 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.259 4.020 -11.485 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.303 3.362 -12.690 1.00 3.21 O ATOM 0 H TYR A 98 -11.629 8.199 -5.875 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.854 7.280 -7.892 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.417 6.938 -7.834 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.628 5.418 -6.989 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.994 3.401 -8.191 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.318 7.136 -10.222 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.088 2.224 -10.343 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.420 5.955 -12.373 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.390 4.014 -13.416 1.00 3.21 H new ATOM 1095 N GLN A 99 -11.964 4.312 -6.474 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.812 3.154 -6.253 1.00 1.70 C ATOM 1097 C GLN A 99 -13.133 3.030 -4.769 1.00 1.80 C ATOM 1098 O GLN A 99 -14.155 2.465 -4.381 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.128 1.889 -6.765 1.00 2.11 C ATOM 1100 CG GLN A 99 -10.837 1.562 -6.042 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.169 0.329 -6.597 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -10.447 -0.785 -6.166 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.277 0.519 -7.548 1.00 2.81 N ATOM 0 H GLN A 99 -11.002 4.194 -6.158 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.743 3.282 -6.805 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -12.814 1.048 -6.663 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -11.920 2.004 -7.829 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.155 2.409 -6.120 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.044 1.415 -4.982 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.076 1.463 -7.877 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -8.788 -0.278 -7.955 1.00 2.81 H new ATOM 1112 N MET A 100 -12.239 3.549 -3.944 1.00 1.50 N ATOM 1113 CA MET A 100 -12.494 3.663 -2.518 1.00 1.55 C ATOM 1114 C MET A 100 -13.259 4.945 -2.265 1.00 1.40 C ATOM 1115 O MET A 100 -12.984 5.962 -2.900 1.00 1.30 O ATOM 1116 CB MET A 100 -11.178 3.677 -1.733 1.00 1.54 C ATOM 1117 CG MET A 100 -11.367 3.732 -0.225 1.00 1.64 C ATOM 1118 SD MET A 100 -12.253 2.301 0.425 1.00 2.37 S ATOM 1119 CE MET A 100 -11.103 0.985 0.028 1.00 2.85 C ATOM 0 H MET A 100 -11.327 3.899 -4.239 1.00 1.50 H new ATOM 0 HA MET A 100 -13.078 2.805 -2.185 1.00 1.55 H new ATOM 0 HB2 MET A 100 -10.605 2.785 -1.986 1.00 1.54 H new ATOM 0 HB3 MET A 100 -10.586 4.537 -2.048 1.00 1.54 H new ATOM 0 HG2 MET A 100 -10.391 3.798 0.256 1.00 1.64 H new ATOM 0 HG3 MET A 100 -11.912 4.639 0.035 1.00 1.64 H new ATOM 0 HE1 MET A 100 -11.302 0.124 0.666 1.00 2.85 H new ATOM 0 HE2 MET A 100 -11.224 0.699 -1.017 1.00 2.85 H new ATOM 0 HE3 MET A 100 -10.083 1.331 0.193 1.00 2.85 H new ATOM 1129 N THR A 101 -14.239 4.902 -1.380 1.00 1.46 N ATOM 1130 CA THR A 101 -14.905 6.120 -0.986 1.00 1.40 C ATOM 1131 C THR A 101 -13.886 6.993 -0.248 1.00 1.14 C ATOM 1132 O THR A 101 -13.055 6.465 0.491 1.00 1.13 O ATOM 1133 CB THR A 101 -15.994 5.880 -0.254 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.788 7.067 -0.141 1.00 2.12 O ATOM 1135 CG2 THR A 101 -15.666 5.341 1.132 1.00 2.05 C ATOM 0 H THR A 101 -14.583 4.053 -0.931 1.00 1.46 H new ATOM 0 HA THR A 101 -15.267 6.648 -1.868 1.00 1.40 H new ATOM 0 HB THR A 101 -16.558 5.106 -0.774 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.585 6.877 0.397 1.00 2.12 H new ATOM 0 HG21 THR A 101 -16.590 5.164 1.682 1.00 2.05 H new ATOM 0 HG22 THR A 101 -15.116 4.405 1.037 1.00 2.05 H new ATOM 0 HG23 THR A 101 -15.057 6.067 1.670 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.854 8.309 -0.547 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.829 9.228 -0.034 1.00 1.00 C ATOM 1145 C PRO A 102 -12.508 9.043 1.446 1.00 0.92 C ATOM 1146 O PRO A 102 -13.163 9.628 2.313 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.446 10.605 -0.269 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.333 10.433 -1.452 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.802 9.000 -1.441 1.00 1.44 C ATOM 0 HA PRO A 102 -11.875 9.062 -0.534 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.010 10.939 0.602 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.678 11.355 -0.457 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -15.180 11.117 -1.403 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.796 10.657 -2.374 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.825 8.920 -1.073 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.789 8.570 -2.443 1.00 1.44 H new ATOM 1157 N THR A 103 -11.521 8.203 1.733 1.00 0.73 N ATOM 1158 CA THR A 103 -11.043 8.045 3.092 1.00 0.70 C ATOM 1159 C THR A 103 -9.660 8.655 3.266 1.00 0.58 C ATOM 1160 O THR A 103 -8.895 8.770 2.308 1.00 0.54 O ATOM 1161 CB THR A 103 -11.014 6.779 3.469 1.00 0.81 C ATOM 1162 OG1 THR A 103 -10.429 5.964 2.440 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.406 6.273 3.810 1.00 1.40 C ATOM 0 H THR A 103 -11.041 7.625 1.043 1.00 0.73 H new ATOM 0 HA THR A 103 -11.753 8.574 3.727 1.00 0.70 H new ATOM 0 HB THR A 103 -10.400 6.712 4.367 1.00 0.81 H new ATOM 0 HG1 THR A 103 -9.731 5.397 2.829 1.00 1.34 H new ATOM 0 HG21 THR A 103 -12.349 5.229 4.116 1.00 1.40 H new ATOM 0 HG22 THR A 103 -12.820 6.868 4.624 1.00 1.40 H new ATOM 0 HG23 THR A 103 -13.049 6.359 2.934 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.359 9.096 4.480 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.064 9.684 4.774 1.00 0.59 C ATOM 1173 C LYS A 104 -7.269 8.740 5.662 1.00 0.58 C ATOM 1174 O LYS A 104 -7.664 8.443 6.790 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.235 11.056 5.434 1.00 0.75 C ATOM 1176 CG LYS A 104 -6.934 11.830 5.580 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.192 13.294 5.906 1.00 1.90 C ATOM 1178 CE LYS A 104 -5.892 14.072 6.041 1.00 2.46 C ATOM 1179 NZ LYS A 104 -5.178 13.745 7.304 1.00 3.08 N ATOM 0 H LYS A 104 -9.996 9.057 5.276 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.514 9.833 3.845 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.936 11.648 4.845 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.681 10.922 6.420 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -6.329 11.382 6.368 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.360 11.757 4.656 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -7.805 13.740 5.122 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -7.759 13.367 6.834 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -5.246 13.850 5.191 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.104 15.141 6.010 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -4.258 14.231 7.319 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -5.748 14.058 8.116 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -5.028 12.718 7.362 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.158 8.259 5.138 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.397 7.219 5.796 1.00 0.47 C ATOM 1195 C VAL A 105 -3.971 7.680 6.093 1.00 0.40 C ATOM 1196 O VAL A 105 -3.474 8.630 5.490 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.388 6.120 5.044 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -4.611 6.342 3.751 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.865 4.905 5.788 1.00 0.94 C ATOM 0 H VAL A 105 -5.762 8.575 4.253 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.875 6.993 6.749 1.00 0.47 H new ATOM 0 HB VAL A 105 -6.427 5.911 4.790 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -4.622 5.427 3.159 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -5.074 7.148 3.182 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -3.581 6.610 3.987 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.880 4.039 5.126 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -3.843 5.092 6.117 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -5.496 4.710 6.655 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.358 7.057 7.079 1.00 0.43 N ATOM 1210 CA LYS A 106 -1.953 7.242 7.354 1.00 0.42 C ATOM 1211 C LYS A 106 -1.222 5.970 6.975 1.00 0.40 C ATOM 1212 O LYS A 106 -1.492 4.899 7.523 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.714 7.582 8.826 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.240 7.717 9.180 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.050 8.194 10.607 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.523 9.627 10.773 1.00 1.56 C ATOM 1217 NZ LYS A 106 -0.342 10.113 12.162 1.00 1.69 N ATOM 0 H LYS A 106 -3.824 6.407 7.712 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.577 8.080 6.767 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.225 8.515 9.064 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.161 6.806 9.448 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.256 6.755 9.048 1.00 0.71 H new ATOM 0 HG3 LYS A 106 0.237 8.418 8.495 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -0.602 7.545 11.287 1.00 0.83 H new ATOM 0 HD3 LYS A 106 1.003 8.121 10.881 1.00 0.83 H new ATOM 0 HE2 LYS A 106 0.027 10.272 10.088 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -1.576 9.696 10.499 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -0.677 11.095 12.233 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.887 9.513 12.813 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 0.666 10.072 12.416 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.321 6.091 6.026 1.00 0.37 N ATOM 1232 CA VAL A 107 0.370 4.954 5.479 1.00 0.42 C ATOM 1233 C VAL A 107 1.784 4.912 6.023 1.00 0.40 C ATOM 1234 O VAL A 107 2.574 5.834 5.807 1.00 0.54 O ATOM 1235 CB VAL A 107 0.396 5.010 4.154 1.00 0.46 C ATOM 1236 CG1 VAL A 107 1.177 3.838 3.566 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.013 5.059 3.581 1.00 1.27 C ATOM 0 H VAL A 107 -0.049 6.984 5.614 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.161 4.048 5.771 1.00 0.42 H new ATOM 0 HB VAL A 107 0.909 5.930 3.874 1.00 0.46 H new ATOM 0 HG11 VAL A 107 1.180 3.912 2.479 1.00 1.26 H new ATOM 0 HG12 VAL A 107 2.203 3.863 3.935 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.707 2.901 3.864 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -0.962 5.104 2.493 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.559 4.165 3.882 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.528 5.943 3.957 1.00 1.27 H new ATOM 1247 N HIS A 108 2.088 3.860 6.755 1.00 0.34 N ATOM 1248 CA HIS A 108 3.418 3.679 7.296 1.00 0.34 C ATOM 1249 C HIS A 108 4.141 2.629 6.474 1.00 0.32 C ATOM 1250 O HIS A 108 3.847 1.442 6.579 1.00 0.44 O ATOM 1251 CB HIS A 108 3.347 3.258 8.771 1.00 0.45 C ATOM 1252 CG HIS A 108 4.674 3.252 9.475 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.661 4.178 9.513 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 5.098 2.220 10.282 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.648 3.695 10.333 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 6.283 2.512 10.787 1.00 0.68 N flip ATOM 0 H HIS A 108 1.430 3.116 6.989 1.00 0.34 H new ATOM 0 HA HIS A 108 3.965 4.621 7.246 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.672 3.933 9.298 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.912 2.261 8.832 1.00 0.45 H new ATOM 0 HD2 HIS A 108 4.546 1.311 10.473 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.573 4.201 10.568 1.00 1.02 H new ATOM 0 HE2 HIS A 108 6.824 1.923 11.420 1.00 0.68 H new ATOM 1265 N MET A 109 5.065 3.079 5.643 1.00 0.30 N ATOM 1266 CA MET A 109 5.791 2.182 4.753 1.00 0.39 C ATOM 1267 C MET A 109 7.188 1.944 5.294 1.00 0.34 C ATOM 1268 O MET A 109 7.898 2.890 5.613 1.00 0.45 O ATOM 1269 CB MET A 109 5.856 2.740 3.317 1.00 0.65 C ATOM 1270 CG MET A 109 6.607 4.059 3.167 1.00 0.87 C ATOM 1271 SD MET A 109 5.666 5.488 3.737 1.00 2.22 S ATOM 1272 CE MET A 109 4.323 5.500 2.554 1.00 2.49 C ATOM 0 H MET A 109 5.332 4.060 5.564 1.00 0.30 H new ATOM 0 HA MET A 109 5.254 1.234 4.711 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.329 1.996 2.676 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.838 2.876 2.951 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.541 4.002 3.726 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.870 4.201 2.119 1.00 0.87 H new ATOM 0 HE1 MET A 109 4.440 6.348 1.879 1.00 2.49 H new ATOM 0 HE2 MET A 109 4.336 4.574 1.979 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.373 5.586 3.082 1.00 2.49 H new ATOM 1282 N LYS A 110 7.579 0.682 5.410 1.00 0.32 N ATOM 1283 CA LYS A 110 8.849 0.342 6.035 1.00 0.35 C ATOM 1284 C LYS A 110 9.493 -0.858 5.358 1.00 0.32 C ATOM 1285 O LYS A 110 8.824 -1.822 5.020 1.00 0.45 O ATOM 1286 CB LYS A 110 8.645 0.093 7.531 1.00 0.50 C ATOM 1287 CG LYS A 110 7.546 -0.908 7.845 1.00 0.97 C ATOM 1288 CD LYS A 110 7.092 -0.789 9.290 1.00 0.91 C ATOM 1289 CE LYS A 110 8.200 -1.144 10.267 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.597 -2.576 10.172 1.00 1.57 N ATOM 0 H LYS A 110 7.039 -0.118 5.082 1.00 0.32 H new ATOM 0 HA LYS A 110 9.531 1.183 5.914 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.581 -0.264 7.961 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.411 1.040 8.018 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.699 -0.742 7.180 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.906 -1.919 7.656 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.753 0.229 9.481 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.238 -1.445 9.457 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.068 -0.514 10.073 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.870 -0.927 11.283 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.228 -2.814 10.963 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 7.748 -3.175 10.214 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 9.092 -2.740 9.272 1.00 1.57 H new ATOM 1304 N LYS A 111 10.797 -0.787 5.174 1.00 0.37 N ATOM 1305 CA LYS A 111 11.527 -1.778 4.391 1.00 0.38 C ATOM 1306 C LYS A 111 11.618 -3.120 5.112 1.00 0.43 C ATOM 1307 O LYS A 111 12.028 -3.192 6.271 1.00 0.60 O ATOM 1308 CB LYS A 111 12.941 -1.265 4.091 1.00 0.49 C ATOM 1309 CG LYS A 111 13.303 -1.279 2.617 1.00 0.56 C ATOM 1310 CD LYS A 111 14.747 -0.860 2.384 1.00 1.03 C ATOM 1311 CE LYS A 111 15.084 -0.836 0.898 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.500 -0.450 0.652 1.00 2.13 N ATOM 0 H LYS A 111 11.383 -0.046 5.559 1.00 0.37 H new ATOM 0 HA LYS A 111 10.978 -1.931 3.462 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.034 -0.247 4.468 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.661 -1.874 4.637 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.146 -2.279 2.214 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.638 -0.608 2.073 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.915 0.128 2.813 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.416 -1.549 2.900 1.00 1.03 H new ATOM 0 HE2 LYS A 111 14.897 -1.820 0.468 1.00 1.49 H new ATOM 0 HE3 LYS A 111 14.424 -0.135 0.388 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.822 -0.865 -0.246 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.573 0.586 0.600 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.096 -0.801 1.429 1.00 2.13 H new ATOM 1326 N ALA A 112 11.237 -4.174 4.410 1.00 0.44 N ATOM 1327 CA ALA A 112 11.431 -5.532 4.881 1.00 0.59 C ATOM 1328 C ALA A 112 12.395 -6.244 3.943 1.00 0.92 C ATOM 1329 O ALA A 112 11.991 -6.766 2.900 1.00 1.57 O ATOM 1330 CB ALA A 112 10.107 -6.279 4.953 1.00 0.96 C ATOM 0 H ALA A 112 10.785 -4.111 3.498 1.00 0.44 H new ATOM 0 HA ALA A 112 11.848 -5.507 5.888 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.281 -7.294 5.309 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.435 -5.764 5.640 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.655 -6.314 3.962 1.00 0.96 H new ATOM 1336 N LEU A 113 13.675 -6.229 4.286 1.00 1.01 N ATOM 1337 CA LEU A 113 14.695 -6.764 3.399 1.00 1.49 C ATOM 1338 C LEU A 113 14.705 -8.283 3.438 1.00 1.26 C ATOM 1339 O LEU A 113 15.454 -8.904 4.188 1.00 2.05 O ATOM 1340 CB LEU A 113 16.071 -6.210 3.755 1.00 2.52 C ATOM 1341 CG LEU A 113 17.158 -6.452 2.707 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.752 -5.846 1.371 1.00 3.91 C ATOM 1343 CD2 LEU A 113 18.484 -5.873 3.174 1.00 4.41 C ATOM 0 H LEU A 113 14.029 -5.855 5.166 1.00 1.01 H new ATOM 0 HA LEU A 113 14.453 -6.450 2.383 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.981 -5.137 3.922 1.00 2.52 H new ATOM 0 HB3 LEU A 113 16.392 -6.654 4.698 1.00 2.52 H new ATOM 0 HG LEU A 113 17.279 -7.527 2.575 1.00 3.38 H new ATOM 0 HD11 LEU A 113 17.536 -6.027 0.636 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.823 -6.304 1.031 1.00 3.91 H new ATOM 0 HD13 LEU A 113 16.605 -4.772 1.488 1.00 3.91 H new ATOM 0 HD21 LEU A 113 19.247 -6.054 2.417 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.377 -4.800 3.332 1.00 4.41 H new ATOM 0 HD23 LEU A 113 18.780 -6.350 4.108 1.00 4.41 H new ATOM 1355 N SER A 114 13.826 -8.859 2.648 1.00 1.21 N ATOM 1356 CA SER A 114 13.731 -10.298 2.492 1.00 1.56 C ATOM 1357 C SER A 114 13.434 -10.609 1.026 1.00 1.72 C ATOM 1358 O SER A 114 12.871 -11.650 0.687 1.00 2.36 O ATOM 1359 CB SER A 114 12.625 -10.843 3.404 1.00 2.13 C ATOM 1360 OG SER A 114 12.692 -12.254 3.525 1.00 2.55 O ATOM 0 H SER A 114 13.149 -8.339 2.089 1.00 1.21 H new ATOM 0 HA SER A 114 14.669 -10.776 2.776 1.00 1.56 H new ATOM 0 HB2 SER A 114 12.711 -10.389 4.391 1.00 2.13 H new ATOM 0 HB3 SER A 114 11.651 -10.558 3.005 1.00 2.13 H new ATOM 0 HG SER A 114 12.762 -12.656 2.634 1.00 2.55 H new ATOM 1366 N GLY A 115 13.857 -9.696 0.161 1.00 1.73 N ATOM 1367 CA GLY A 115 13.537 -9.783 -1.252 1.00 2.05 C ATOM 1368 C GLY A 115 13.144 -8.437 -1.831 1.00 1.87 C ATOM 1369 O GLY A 115 12.429 -8.373 -2.830 1.00 2.62 O ATOM 0 H GLY A 115 14.423 -8.887 0.417 1.00 1.73 H new ATOM 0 HA2 GLY A 115 14.398 -10.174 -1.795 1.00 2.05 H new ATOM 0 HA3 GLY A 115 12.721 -10.491 -1.396 1.00 2.05 H new ATOM 1373 N ASP A 116 13.628 -7.366 -1.193 1.00 1.38 N ATOM 1374 CA ASP A 116 13.336 -5.987 -1.604 1.00 1.29 C ATOM 1375 C ASP A 116 11.837 -5.709 -1.663 1.00 1.01 C ATOM 1376 O ASP A 116 11.245 -5.632 -2.737 1.00 1.32 O ATOM 1377 CB ASP A 116 13.988 -5.650 -2.950 1.00 1.58 C ATOM 1378 CG ASP A 116 15.472 -5.371 -2.828 1.00 2.09 C ATOM 1379 OD1 ASP A 116 16.278 -6.254 -3.197 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.841 -4.279 -2.347 1.00 2.42 O ATOM 0 H ASP A 116 14.234 -7.430 -0.375 1.00 1.38 H new ATOM 0 HA ASP A 116 13.767 -5.341 -0.839 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.834 -6.479 -3.641 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.493 -4.780 -3.381 1.00 1.58 H new ATOM 1385 N SER A 117 11.235 -5.556 -0.495 1.00 0.60 N ATOM 1386 CA SER A 117 9.833 -5.237 -0.381 1.00 0.36 C ATOM 1387 C SER A 117 9.614 -4.495 0.934 1.00 0.34 C ATOM 1388 O SER A 117 10.507 -4.475 1.783 1.00 0.54 O ATOM 1389 CB SER A 117 8.986 -6.514 -0.473 1.00 0.35 C ATOM 1390 OG SER A 117 7.615 -6.241 -0.284 1.00 1.07 O ATOM 0 H SER A 117 11.713 -5.651 0.401 1.00 0.60 H new ATOM 0 HA SER A 117 9.519 -4.593 -1.202 1.00 0.36 H new ATOM 0 HB2 SER A 117 9.134 -6.980 -1.447 1.00 0.35 H new ATOM 0 HB3 SER A 117 9.322 -7.229 0.277 1.00 0.35 H new ATOM 0 HG SER A 117 7.427 -5.315 -0.543 1.00 1.07 H new ATOM 1396 N TYR A 118 8.461 -3.862 1.101 1.00 0.22 N ATOM 1397 CA TYR A 118 8.222 -3.000 2.234 1.00 0.24 C ATOM 1398 C TYR A 118 6.878 -3.355 2.841 1.00 0.24 C ATOM 1399 O TYR A 118 6.013 -3.914 2.166 1.00 0.26 O ATOM 1400 CB TYR A 118 8.222 -1.540 1.763 1.00 0.30 C ATOM 1401 CG TYR A 118 9.175 -1.309 0.612 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.710 -1.241 -0.692 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.540 -1.210 0.825 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.580 -1.083 -1.753 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.417 -1.044 -0.230 1.00 0.72 C ATOM 1406 CZ TYR A 118 10.933 -0.984 -1.517 1.00 0.67 C ATOM 1407 OH TYR A 118 11.805 -0.837 -2.570 1.00 0.86 O ATOM 0 H TYR A 118 7.674 -3.935 0.456 1.00 0.22 H new ATOM 0 HA TYR A 118 9.003 -3.131 2.983 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.214 -1.258 1.459 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.497 -0.892 2.595 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.649 -1.313 -0.882 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.925 -1.263 1.832 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.201 -1.037 -2.763 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.478 -0.962 -0.045 1.00 0.72 H new ATOM 0 HH TYR A 118 12.722 -0.781 -2.230 1.00 0.86 H new ATOM 1417 N TRP A 119 6.700 -3.020 4.095 1.00 0.27 N ATOM 1418 CA TRP A 119 5.442 -3.241 4.763 1.00 0.30 C ATOM 1419 C TRP A 119 4.686 -1.939 4.821 1.00 0.33 C ATOM 1420 O TRP A 119 5.101 -0.997 5.497 1.00 0.38 O ATOM 1421 CB TRP A 119 5.659 -3.775 6.178 1.00 0.36 C ATOM 1422 CG TRP A 119 5.973 -5.238 6.230 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.170 -5.806 6.544 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.073 -6.320 5.963 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.072 -7.174 6.490 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.796 -7.516 6.134 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.725 -6.396 5.596 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.220 -8.769 5.951 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.153 -7.641 5.414 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.901 -8.813 5.594 1.00 0.62 C ATOM 0 H TRP A 119 7.418 -2.589 4.678 1.00 0.27 H new ATOM 0 HA TRP A 119 4.871 -3.984 4.206 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.474 -3.221 6.644 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.764 -3.584 6.770 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.066 -5.260 6.799 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.829 -7.830 6.684 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.142 -5.498 5.457 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.794 -9.674 6.086 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.114 -7.712 5.129 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.425 -9.771 5.447 1.00 0.62 H new ATOM 1441 N VAL A 120 3.602 -1.876 4.079 1.00 0.33 N ATOM 1442 CA VAL A 120 2.778 -0.696 4.055 1.00 0.37 C ATOM 1443 C VAL A 120 1.535 -0.914 4.913 1.00 0.40 C ATOM 1444 O VAL A 120 0.763 -1.850 4.703 1.00 0.55 O ATOM 1445 CB VAL A 120 2.483 -0.380 2.796 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.208 0.456 2.681 1.00 0.90 C ATOM 1447 CG2 VAL A 120 3.645 0.360 2.155 1.00 0.91 C ATOM 0 H VAL A 120 3.273 -2.635 3.482 1.00 0.33 H new ATOM 0 HA VAL A 120 3.318 0.149 4.482 1.00 0.37 H new ATOM 0 HB VAL A 120 2.304 -1.317 2.268 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.016 0.684 1.633 1.00 0.90 H new ATOM 0 HG12 VAL A 120 0.367 -0.104 3.090 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.330 1.385 3.238 1.00 0.90 H new ATOM 0 HG21 VAL A 120 3.392 0.613 1.125 1.00 0.91 H new ATOM 0 HG22 VAL A 120 3.847 1.274 2.714 1.00 0.91 H new ATOM 0 HG23 VAL A 120 4.531 -0.275 2.165 1.00 0.91 H new ATOM 1457 N PHE A 121 1.392 -0.077 5.927 1.00 0.39 N ATOM 1458 CA PHE A 121 0.308 -0.209 6.881 1.00 0.41 C ATOM 1459 C PHE A 121 -0.766 0.836 6.639 1.00 0.41 C ATOM 1460 O PHE A 121 -0.471 1.993 6.330 1.00 0.49 O ATOM 1461 CB PHE A 121 0.838 -0.090 8.311 1.00 0.48 C ATOM 1462 CG PHE A 121 1.704 -1.242 8.729 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.053 -1.250 8.425 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.172 -2.318 9.422 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.857 -2.307 8.802 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.971 -3.377 9.803 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.296 -3.378 9.515 1.00 0.73 C ATOM 0 H PHE A 121 2.019 0.706 6.110 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.137 -1.195 6.746 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.408 0.834 8.402 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.006 -0.013 8.997 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.483 -0.419 7.886 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.120 -2.328 9.667 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.907 -2.310 8.551 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.538 -4.211 10.335 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.918 -4.201 9.834 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.005 0.409 6.788 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.165 1.258 6.576 1.00 0.51 C ATOM 1479 C VAL A 122 -3.775 1.668 7.917 1.00 0.54 C ATOM 1480 O VAL A 122 -4.448 0.872 8.576 1.00 0.76 O ATOM 1481 CB VAL A 122 -4.082 0.622 5.852 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -5.287 1.513 5.573 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.497 0.102 4.549 1.00 1.16 C ATOM 0 H VAL A 122 -2.239 -0.545 7.062 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.840 2.149 6.039 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.418 -0.232 6.440 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -6.017 0.963 4.979 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.741 1.817 6.516 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.966 2.398 5.024 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.273 -0.412 3.982 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.113 0.937 3.964 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.685 -0.592 4.766 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.536 2.908 8.320 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.096 3.433 9.555 1.00 0.66 C ATOM 1495 C LYS A 123 -5.133 4.512 9.258 1.00 0.55 C ATOM 1496 O LYS A 123 -4.791 5.631 8.880 1.00 0.51 O ATOM 1497 CB LYS A 123 -2.983 3.997 10.446 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.483 4.653 11.725 1.00 1.36 C ATOM 1499 CD LYS A 123 -4.194 3.661 12.633 1.00 1.80 C ATOM 1500 CE LYS A 123 -4.776 4.345 13.860 1.00 2.62 C ATOM 1501 NZ LYS A 123 -5.868 5.290 13.505 1.00 3.31 N ATOM 0 H LYS A 123 -2.955 3.571 7.806 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.589 2.617 10.084 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.298 3.190 10.708 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -2.411 4.728 9.875 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -2.642 5.095 12.259 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -4.163 5.467 11.473 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -4.991 3.166 12.079 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -3.494 2.886 12.945 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -5.158 3.591 14.548 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -3.986 4.884 14.384 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -5.558 6.265 13.692 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -6.101 5.188 12.497 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -6.710 5.079 14.078 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.401 4.164 9.415 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.490 5.105 9.189 1.00 0.76 C ATOM 1517 C ARG A 124 -7.529 6.122 10.324 1.00 0.85 C ATOM 1518 O ARG A 124 -7.865 5.787 11.459 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.816 4.339 9.091 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.958 5.101 8.424 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.526 6.196 9.313 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.729 6.795 8.734 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.179 8.011 9.041 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -11.497 8.780 9.877 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.306 8.468 8.503 1.00 4.03 N ATOM 0 H ARG A 124 -6.703 3.232 9.699 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.331 5.640 8.253 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -8.644 3.416 8.537 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.128 4.055 10.096 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.601 5.542 7.493 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -10.752 4.402 8.162 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.761 5.783 10.294 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -9.772 6.968 9.465 1.00 2.10 H new ATOM 0 HE ARG A 124 -12.256 6.248 8.053 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -10.626 8.441 10.286 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -11.843 9.711 10.111 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.832 7.887 7.851 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -13.644 9.400 8.743 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.162 7.359 10.021 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.122 8.408 11.028 1.00 1.33 C ATOM 1541 C VAL A 125 -8.220 9.436 10.769 1.00 2.00 C ATOM 1542 O VAL A 125 -8.035 10.294 9.883 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.945 9.022 11.058 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.881 9.995 12.230 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -4.794 8.030 11.135 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.264 9.376 11.457 1.00 2.26 O ATOM 0 H VAL A 125 -6.888 7.660 9.086 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.283 7.930 11.995 1.00 1.33 H new ATOM 0 HB VAL A 125 -5.842 9.579 10.127 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -4.910 10.490 12.240 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -6.668 10.742 12.126 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -6.020 9.450 13.164 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -3.848 8.571 11.158 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.891 7.430 12.040 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -4.818 7.377 10.263 1.00 2.08 H new