USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 114 SER OG : rot 180:sc= 0.0885 USER MOD Set 1.2: A 117 SER OG : rot 160:sc= -1.11 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 32 GLN : amide:sc= -2.74! C(o=-2.7!,f=-4.9!) USER MOD Single : A 38 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 89 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.73) USER MOD Single : A 90 THR OG1 : rot -150:sc= 0 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.273 (180deg=-1.04) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -133:sc= 1.13 (180deg=0.817) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= -1.82! K(o=-1.8!,f=-0.94) USER MOD Single : A 109 MET CE :methyl 143:sc= -0.223 (180deg=-1.08) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.748) USER MOD Single : A 118 TYR OH : rot 5:sc= -0.0503 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 5.953 -4.121 -6.957 1.00 1.43 N ATOM 51 CA GLY A 29 5.919 -2.868 -7.674 1.00 0.99 C ATOM 52 C GLY A 29 4.704 -2.050 -7.313 1.00 0.78 C ATOM 53 O GLY A 29 4.806 -1.048 -6.608 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.821 -2.297 -7.452 1.00 0.99 H new ATOM 0 HA3 GLY A 29 5.921 -3.063 -8.747 1.00 0.99 H new ATOM 57 N ALA A 30 3.548 -2.495 -7.782 1.00 0.70 N ATOM 58 CA ALA A 30 2.305 -1.784 -7.542 1.00 0.54 C ATOM 59 C ALA A 30 1.242 -2.713 -6.976 1.00 0.49 C ATOM 60 O ALA A 30 0.794 -3.644 -7.646 1.00 0.60 O ATOM 61 CB ALA A 30 1.804 -1.146 -8.829 1.00 0.68 C ATOM 0 H ALA A 30 3.447 -3.348 -8.332 1.00 0.70 H new ATOM 0 HA ALA A 30 2.503 -1.002 -6.808 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.871 -0.617 -8.634 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.549 -0.443 -9.201 1.00 0.68 H new ATOM 0 HB3 ALA A 30 1.632 -1.921 -9.576 1.00 0.68 H new ATOM 67 N ILE A 31 0.846 -2.468 -5.745 1.00 0.40 N ATOM 68 CA ILE A 31 -0.250 -3.199 -5.145 1.00 0.39 C ATOM 69 C ILE A 31 -1.366 -2.234 -4.790 1.00 0.35 C ATOM 70 O ILE A 31 -1.114 -1.088 -4.433 1.00 0.36 O ATOM 71 CB ILE A 31 0.131 -3.909 -4.090 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.032 -4.669 -3.467 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.844 -3.045 -3.055 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.680 -5.395 -2.186 1.00 0.90 C ATOM 0 H ILE A 31 1.269 -1.765 -5.138 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.617 -3.920 -5.876 1.00 0.39 H new ATOM 0 HB ILE A 31 0.847 -4.648 -4.450 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.843 -3.969 -3.264 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.409 -5.392 -4.190 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.140 -3.663 -2.207 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.730 -2.596 -3.504 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.172 -2.258 -2.713 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.562 -5.911 -1.806 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.108 -6.121 -2.384 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.333 -4.676 -1.444 1.00 0.90 H new ATOM 86 N GLN A 32 -2.593 -2.648 -5.001 1.00 0.38 N ATOM 87 CA GLN A 32 -3.713 -1.760 -4.772 1.00 0.40 C ATOM 88 C GLN A 32 -4.660 -2.339 -3.740 1.00 0.37 C ATOM 89 O GLN A 32 -4.864 -3.556 -3.667 1.00 0.44 O ATOM 90 CB GLN A 32 -4.433 -1.444 -6.090 1.00 0.50 C ATOM 91 CG GLN A 32 -5.388 -2.511 -6.595 1.00 0.55 C ATOM 92 CD GLN A 32 -6.830 -2.201 -6.244 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.329 -2.609 -5.200 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.511 -1.471 -7.114 1.00 0.93 N ATOM 0 H GLN A 32 -2.842 -3.582 -5.327 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.332 -0.820 -4.372 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.990 -0.515 -5.964 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -3.681 -1.263 -6.858 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.290 -2.601 -7.677 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.111 -3.475 -6.169 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.062 -1.150 -7.972 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.484 -1.230 -6.926 1.00 0.93 H new ATOM 103 N LEU A 33 -5.215 -1.458 -2.937 1.00 0.34 N ATOM 104 CA LEU A 33 -6.151 -1.852 -1.900 1.00 0.36 C ATOM 105 C LEU A 33 -7.389 -0.980 -1.948 1.00 0.35 C ATOM 106 O LEU A 33 -7.381 0.098 -2.542 1.00 0.43 O ATOM 107 CB LEU A 33 -5.474 -1.808 -0.522 1.00 0.45 C ATOM 108 CG LEU A 33 -4.761 -0.498 -0.150 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.748 0.562 0.319 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.710 -0.756 0.920 1.00 0.71 C ATOM 0 H LEU A 33 -5.034 -0.455 -2.981 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.466 -2.880 -2.077 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.230 -2.012 0.236 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.747 -2.618 -0.473 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.270 -0.119 -1.046 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -5.209 1.474 0.573 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.462 0.773 -0.478 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -6.282 0.199 1.197 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -3.212 0.180 1.174 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -4.189 -1.166 1.809 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.975 -1.467 0.544 1.00 0.71 H new ATOM 122 N ASP A 34 -8.455 -1.454 -1.349 1.00 0.35 N ATOM 123 CA ASP A 34 -9.704 -0.709 -1.356 1.00 0.45 C ATOM 124 C ASP A 34 -9.733 0.307 -0.231 1.00 0.53 C ATOM 125 O ASP A 34 -8.993 0.203 0.751 1.00 0.58 O ATOM 126 CB ASP A 34 -10.935 -1.635 -1.306 1.00 0.55 C ATOM 127 CG ASP A 34 -11.118 -2.404 -0.004 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.464 -2.076 1.011 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.940 -3.347 0.001 1.00 1.15 O ATOM 0 H ASP A 34 -8.490 -2.344 -0.853 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.754 -0.171 -2.303 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.828 -1.035 -1.483 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.864 -2.351 -2.125 1.00 0.55 H new ATOM 134 N GLY A 35 -10.590 1.295 -0.393 1.00 0.67 N ATOM 135 CA GLY A 35 -10.733 2.337 0.595 1.00 0.84 C ATOM 136 C GLY A 35 -11.548 1.881 1.782 1.00 0.85 C ATOM 137 O GLY A 35 -12.109 2.696 2.516 1.00 1.20 O ATOM 0 H GLY A 35 -11.199 1.395 -1.205 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.747 2.655 0.933 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -11.209 3.206 0.140 1.00 0.84 H new ATOM 141 N ASP A 36 -11.634 0.573 1.955 1.00 0.69 N ATOM 142 CA ASP A 36 -12.316 -0.005 3.091 1.00 0.83 C ATOM 143 C ASP A 36 -11.286 -0.406 4.127 1.00 0.83 C ATOM 144 O ASP A 36 -11.487 -0.197 5.325 1.00 1.10 O ATOM 145 CB ASP A 36 -13.151 -1.213 2.668 1.00 0.89 C ATOM 146 CG ASP A 36 -14.584 -1.119 3.156 1.00 1.24 C ATOM 147 OD1 ASP A 36 -15.469 -0.763 2.345 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.842 -1.379 4.351 1.00 1.77 O ATOM 0 H ASP A 36 -11.234 -0.112 1.313 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.997 0.732 3.517 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.144 -1.295 1.581 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.695 -2.123 3.059 1.00 0.89 H new ATOM 153 N GLY A 37 -10.161 -0.951 3.660 1.00 0.67 N ATOM 154 CA GLY A 37 -9.074 -1.269 4.565 1.00 0.81 C ATOM 155 C GLY A 37 -8.343 -2.564 4.246 1.00 0.78 C ATOM 156 O GLY A 37 -7.490 -2.996 5.024 1.00 1.05 O ATOM 0 H GLY A 37 -9.988 -1.175 2.680 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.356 -0.449 4.552 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.469 -1.330 5.579 1.00 0.81 H new ATOM 160 N ASN A 38 -8.639 -3.193 3.116 1.00 0.61 N ATOM 161 CA ASN A 38 -7.964 -4.443 2.773 1.00 0.73 C ATOM 162 C ASN A 38 -7.494 -4.472 1.327 1.00 0.57 C ATOM 163 O ASN A 38 -7.975 -3.723 0.477 1.00 0.49 O ATOM 164 CB ASN A 38 -8.828 -5.675 3.093 1.00 0.95 C ATOM 165 CG ASN A 38 -10.203 -5.687 2.445 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.127 -6.308 2.966 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.353 -5.027 1.318 1.00 1.38 N ATOM 0 H ASN A 38 -9.325 -2.870 2.434 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.076 -4.487 3.404 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -8.288 -6.569 2.780 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -8.953 -5.741 4.174 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.258 -5.020 0.848 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -9.564 -4.522 0.914 1.00 1.38 H new ATOM 174 N ILE A 39 -6.545 -5.357 1.074 1.00 0.65 N ATOM 175 CA ILE A 39 -5.901 -5.464 -0.221 1.00 0.57 C ATOM 176 C ILE A 39 -6.824 -6.143 -1.226 1.00 0.59 C ATOM 177 O ILE A 39 -7.611 -7.017 -0.864 1.00 0.77 O ATOM 178 CB ILE A 39 -4.750 -6.129 -0.101 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.844 -5.417 0.899 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.045 -6.281 -1.448 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.617 -6.204 1.287 1.00 1.18 C ATOM 0 H ILE A 39 -6.199 -6.023 1.765 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.685 -4.463 -0.593 1.00 0.57 H new ATOM 0 HB ILE A 39 -4.973 -7.131 0.265 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -3.531 -4.463 0.475 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -4.418 -5.193 1.798 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.112 -6.827 -1.311 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.689 -6.829 -2.136 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.831 -5.295 -1.860 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.026 -5.629 2.000 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.919 -7.147 1.743 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -2.018 -6.405 0.399 1.00 1.18 H new ATOM 193 N LEU A 40 -6.779 -5.688 -2.470 1.00 0.51 N ATOM 194 CA LEU A 40 -7.637 -6.239 -3.506 1.00 0.61 C ATOM 195 C LEU A 40 -6.816 -6.844 -4.641 1.00 0.60 C ATOM 196 O LEU A 40 -6.948 -8.030 -4.943 1.00 0.72 O ATOM 197 CB LEU A 40 -8.578 -5.160 -4.049 1.00 0.66 C ATOM 198 CG LEU A 40 -9.539 -5.621 -5.148 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.506 -6.666 -4.612 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.299 -4.434 -5.721 1.00 1.54 C ATOM 0 H LEU A 40 -6.159 -4.941 -2.785 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.232 -7.035 -3.059 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -9.164 -4.762 -3.220 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.976 -4.338 -4.437 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.954 -6.076 -5.948 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.180 -6.980 -5.409 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.946 -7.528 -4.249 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.086 -6.239 -3.793 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.978 -4.779 -6.501 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.872 -3.952 -4.929 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.593 -3.720 -6.144 1.00 1.54 H new ATOM 212 N GLN A 41 -5.955 -6.041 -5.258 1.00 0.50 N ATOM 213 CA GLN A 41 -5.208 -6.494 -6.432 1.00 0.55 C ATOM 214 C GLN A 41 -3.715 -6.283 -6.252 1.00 0.46 C ATOM 215 O GLN A 41 -3.286 -5.301 -5.647 1.00 0.46 O ATOM 216 CB GLN A 41 -5.679 -5.763 -7.691 1.00 0.67 C ATOM 217 CG GLN A 41 -7.153 -5.964 -7.993 1.00 1.08 C ATOM 218 CD GLN A 41 -7.609 -5.214 -9.226 1.00 1.73 C ATOM 219 OE1 GLN A 41 -7.067 -4.164 -9.566 1.00 2.41 O ATOM 220 NE2 GLN A 41 -8.619 -5.741 -9.898 1.00 2.37 N ATOM 0 H GLN A 41 -5.757 -5.083 -4.971 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.398 -7.561 -6.545 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -5.482 -4.697 -7.578 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.092 -6.107 -8.542 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.349 -7.028 -8.128 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -7.742 -5.637 -7.136 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -9.041 -6.614 -9.582 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -8.976 -5.274 -10.732 1.00 2.37 H new ATOM 229 N TYR A 42 -2.930 -7.198 -6.796 1.00 0.57 N ATOM 230 CA TYR A 42 -1.484 -7.117 -6.698 1.00 0.58 C ATOM 231 C TYR A 42 -0.835 -7.344 -8.058 1.00 0.65 C ATOM 232 O TYR A 42 -1.233 -8.236 -8.807 1.00 0.79 O ATOM 233 CB TYR A 42 -0.951 -8.138 -5.686 1.00 0.71 C ATOM 234 CG TYR A 42 0.556 -8.152 -5.582 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.297 -9.199 -6.114 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.237 -7.127 -4.940 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.672 -9.225 -6.006 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.613 -7.144 -4.833 1.00 1.02 C ATOM 239 CZ TYR A 42 3.329 -8.161 -5.417 1.00 1.21 C ATOM 240 OH TYR A 42 4.694 -8.217 -5.245 1.00 1.42 O ATOM 0 H TYR A 42 -3.273 -8.008 -7.312 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.228 -6.115 -6.353 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.373 -7.920 -4.705 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.297 -9.132 -5.968 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.789 -10.006 -6.621 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.681 -6.303 -4.517 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.231 -10.070 -6.379 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.125 -6.361 -4.293 1.00 1.02 H new ATOM 0 HH TYR A 42 5.004 -7.391 -4.818 1.00 1.42 H new ATOM 250 N ASN A 43 0.161 -6.526 -8.371 1.00 0.63 N ATOM 251 CA ASN A 43 0.915 -6.674 -9.606 1.00 0.75 C ATOM 252 C ASN A 43 2.282 -7.266 -9.300 1.00 0.92 C ATOM 253 O ASN A 43 3.147 -6.597 -8.734 1.00 1.02 O ATOM 254 CB ASN A 43 1.059 -5.323 -10.313 1.00 0.78 C ATOM 255 CG ASN A 43 -0.281 -4.752 -10.742 1.00 0.73 C ATOM 256 OD1 ASN A 43 -0.738 -4.987 -11.859 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.922 -4.000 -9.859 1.00 0.88 N ATOM 0 H ASN A 43 0.466 -5.750 -7.783 1.00 0.63 H new ATOM 0 HA ASN A 43 0.377 -7.348 -10.273 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.556 -4.618 -9.647 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.699 -5.439 -11.188 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.827 -3.594 -10.097 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.510 -3.828 -8.942 1.00 0.88 H new ATOM 756 N GLY A 77 1.243 8.579 3.145 1.00 3.20 N ATOM 757 CA GLY A 77 0.539 9.628 2.439 1.00 2.71 C ATOM 758 C GLY A 77 -0.640 10.112 3.246 1.00 1.94 C ATOM 759 O GLY A 77 -1.692 10.430 2.694 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.217 10.459 2.241 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.198 9.258 1.472 1.00 2.71 H new ATOM 763 N LYS A 78 -0.445 10.153 4.567 1.00 1.39 N ATOM 764 CA LYS A 78 -1.500 10.519 5.509 1.00 1.29 C ATOM 765 C LYS A 78 -2.689 9.581 5.336 1.00 1.03 C ATOM 766 O LYS A 78 -3.831 10.016 5.342 1.00 1.02 O ATOM 767 CB LYS A 78 -1.933 11.977 5.295 1.00 2.10 C ATOM 768 CG LYS A 78 -0.770 12.956 5.217 1.00 2.61 C ATOM 769 CD LYS A 78 0.038 12.988 6.504 1.00 3.18 C ATOM 770 CE LYS A 78 -0.724 13.665 7.631 1.00 3.78 C ATOM 771 NZ LYS A 78 0.082 13.728 8.874 1.00 4.14 N ATOM 0 H LYS A 78 0.447 9.934 5.010 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.116 10.425 6.525 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -2.514 12.043 4.375 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.592 12.274 6.110 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.119 12.680 4.388 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -1.151 13.955 5.004 1.00 2.61 H new ATOM 0 HD2 LYS A 78 0.294 11.970 6.798 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.976 13.515 6.331 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -1.004 14.673 7.327 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -1.649 13.121 7.824 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -0.469 14.196 9.622 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.328 12.764 9.177 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 0.953 14.268 8.696 1.00 4.14 H new ATOM 785 N PHE A 79 -2.393 8.283 5.254 1.00 0.95 N ATOM 786 CA PHE A 79 -3.351 7.267 4.796 1.00 0.77 C ATOM 787 C PHE A 79 -4.745 7.425 5.408 1.00 0.70 C ATOM 788 O PHE A 79 -5.753 7.325 4.682 1.00 0.64 O ATOM 789 CB PHE A 79 -2.807 5.868 5.099 1.00 0.88 C ATOM 790 CG PHE A 79 -3.634 4.759 4.507 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.551 4.064 5.282 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.498 4.419 3.171 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.315 3.051 4.733 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.258 3.407 2.618 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.169 2.723 3.400 1.00 0.82 C ATOM 0 H PHE A 79 -1.480 7.902 5.503 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.465 7.408 3.721 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -1.788 5.793 4.719 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.754 5.734 6.179 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -4.669 4.317 6.325 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -2.789 4.952 2.554 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.025 2.517 5.346 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.140 3.151 1.576 1.00 0.84 H new ATOM 0 HZ PHE A 79 -5.766 1.933 2.969 1.00 0.82 H new ATOM 805 N LYS A 80 -4.808 7.717 6.716 1.00 0.82 N ATOM 806 CA LYS A 80 -6.093 7.775 7.408 1.00 0.89 C ATOM 807 C LYS A 80 -6.904 8.971 6.923 1.00 0.81 C ATOM 808 O LYS A 80 -8.125 8.899 6.777 1.00 0.87 O ATOM 809 CB LYS A 80 -5.896 7.845 8.925 1.00 1.12 C ATOM 810 CG LYS A 80 -7.195 7.999 9.702 1.00 1.66 C ATOM 811 CD LYS A 80 -8.149 6.844 9.437 1.00 2.17 C ATOM 812 CE LYS A 80 -9.523 7.108 10.033 1.00 2.87 C ATOM 813 NZ LYS A 80 -9.481 7.217 11.513 1.00 3.48 N ATOM 0 H LYS A 80 -3.997 7.913 7.302 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.643 6.862 7.179 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.388 6.940 9.259 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.241 8.684 9.159 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.977 8.054 10.769 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.675 8.938 9.426 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -8.242 6.686 8.362 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -7.738 5.927 9.859 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -9.928 8.029 9.614 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -10.201 6.303 9.749 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -10.447 7.329 11.880 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -9.056 6.356 11.913 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.910 8.043 11.784 1.00 3.48 H new ATOM 827 N GLU A 81 -6.207 10.056 6.647 1.00 0.78 N ATOM 828 CA GLU A 81 -6.839 11.263 6.162 1.00 0.78 C ATOM 829 C GLU A 81 -7.049 11.146 4.662 1.00 0.62 C ATOM 830 O GLU A 81 -8.015 11.666 4.119 1.00 0.64 O ATOM 831 CB GLU A 81 -5.966 12.476 6.491 1.00 0.96 C ATOM 832 CG GLU A 81 -6.631 13.814 6.233 1.00 1.53 C ATOM 833 CD GLU A 81 -5.713 14.973 6.554 1.00 2.31 C ATOM 834 OE1 GLU A 81 -5.199 15.610 5.612 1.00 3.07 O ATOM 835 OE2 GLU A 81 -5.505 15.263 7.748 1.00 2.63 O ATOM 0 H GLU A 81 -5.195 10.124 6.752 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.806 11.395 6.648 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.675 12.425 7.540 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.050 12.420 5.903 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.937 13.872 5.188 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.537 13.891 6.835 1.00 1.53 H new ATOM 842 N GLY A 82 -6.149 10.415 4.015 1.00 0.55 N ATOM 843 CA GLY A 82 -6.217 10.195 2.600 1.00 0.47 C ATOM 844 C GLY A 82 -7.528 9.572 2.195 1.00 0.46 C ATOM 845 O GLY A 82 -8.159 9.975 1.214 1.00 0.49 O ATOM 0 H GLY A 82 -5.355 9.963 4.470 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.088 11.143 2.078 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.396 9.547 2.293 1.00 0.47 H new ATOM 849 N VAL A 83 -7.933 8.588 2.977 1.00 0.51 N ATOM 850 CA VAL A 83 -9.165 7.860 2.735 1.00 0.61 C ATOM 851 C VAL A 83 -10.372 8.782 2.855 1.00 0.70 C ATOM 852 O VAL A 83 -11.173 8.894 1.927 1.00 0.79 O ATOM 853 CB VAL A 83 -9.295 6.862 3.598 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.614 6.118 3.395 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.128 5.895 3.495 1.00 0.69 C ATOM 0 H VAL A 83 -7.417 8.271 3.798 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.118 7.460 1.722 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.299 7.297 4.597 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.689 5.306 4.118 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.446 6.808 3.536 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.649 5.709 2.385 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.261 5.087 4.214 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.086 5.481 2.487 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.198 6.422 3.710 1.00 0.69 H new ATOM 865 N ALA A 84 -10.456 9.488 3.973 1.00 0.76 N ATOM 866 CA ALA A 84 -11.652 10.244 4.305 1.00 0.94 C ATOM 867 C ALA A 84 -11.688 11.578 3.593 1.00 0.88 C ATOM 868 O ALA A 84 -12.758 12.134 3.352 1.00 1.07 O ATOM 869 CB ALA A 84 -11.765 10.431 5.810 1.00 1.12 C ATOM 0 H ALA A 84 -9.709 9.552 4.665 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.512 9.669 3.961 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.666 10.999 6.039 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.817 9.456 6.295 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.892 10.972 6.176 1.00 1.12 H new ATOM 875 N SER A 85 -10.519 12.094 3.256 1.00 0.76 N ATOM 876 CA SER A 85 -10.442 13.325 2.484 1.00 0.84 C ATOM 877 C SER A 85 -10.976 13.075 1.076 1.00 0.94 C ATOM 878 O SER A 85 -11.442 13.994 0.403 1.00 1.22 O ATOM 879 CB SER A 85 -9.004 13.849 2.428 1.00 1.19 C ATOM 880 OG SER A 85 -8.952 15.156 1.883 1.00 1.88 O ATOM 0 H SER A 85 -9.617 11.686 3.501 1.00 0.76 H new ATOM 0 HA SER A 85 -11.052 14.085 2.972 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.577 13.854 3.431 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.393 13.177 1.825 1.00 1.19 H new ATOM 0 HG SER A 85 -8.022 15.465 1.861 1.00 1.88 H new ATOM 886 N GLY A 86 -10.905 11.820 0.643 1.00 0.96 N ATOM 887 CA GLY A 86 -11.470 11.438 -0.634 1.00 1.46 C ATOM 888 C GLY A 86 -10.534 11.697 -1.792 1.00 1.21 C ATOM 889 O GLY A 86 -10.935 11.609 -2.951 1.00 1.66 O ATOM 0 H GLY A 86 -10.463 11.059 1.159 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.726 10.379 -0.610 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.398 11.987 -0.794 1.00 1.46 H new ATOM 893 N ASN A 87 -9.282 12.000 -1.486 1.00 0.66 N ATOM 894 CA ASN A 87 -8.300 12.293 -2.528 1.00 0.67 C ATOM 895 C ASN A 87 -6.906 11.866 -2.117 1.00 0.52 C ATOM 896 O ASN A 87 -5.940 12.624 -2.219 1.00 0.72 O ATOM 897 CB ASN A 87 -8.312 13.777 -2.945 1.00 0.95 C ATOM 898 CG ASN A 87 -8.198 14.750 -1.782 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.104 15.080 -1.326 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.334 15.252 -1.328 1.00 1.72 N ATOM 0 H ASN A 87 -8.920 12.050 -0.534 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.594 11.707 -3.399 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.488 13.956 -3.636 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.234 13.983 -3.488 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.323 15.938 -0.573 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.221 14.953 -1.732 1.00 1.72 H new ATOM 907 N LEU A 88 -6.806 10.634 -1.668 1.00 0.40 N ATOM 908 CA LEU A 88 -5.525 10.047 -1.347 1.00 0.32 C ATOM 909 C LEU A 88 -4.721 9.775 -2.605 1.00 0.30 C ATOM 910 O LEU A 88 -4.843 8.714 -3.200 1.00 0.34 O ATOM 911 CB LEU A 88 -5.708 8.742 -0.593 1.00 0.37 C ATOM 912 CG LEU A 88 -4.668 8.508 0.475 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.974 7.240 1.255 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.266 8.448 -0.106 1.00 0.48 C ATOM 0 H LEU A 88 -7.603 10.016 -1.516 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.987 10.760 -0.722 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.696 8.734 -0.133 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.680 7.915 -1.303 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.706 9.357 1.157 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.212 7.090 2.020 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.951 7.332 1.729 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.979 6.387 0.576 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.547 8.278 0.695 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.205 7.632 -0.827 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.038 9.390 -0.604 1.00 0.48 H new ATOM 926 N ASN A 89 -3.939 10.741 -3.029 1.00 0.32 N ATOM 927 CA ASN A 89 -2.965 10.500 -4.071 1.00 0.34 C ATOM 928 C ASN A 89 -1.713 11.320 -3.770 1.00 0.40 C ATOM 929 O ASN A 89 -1.677 12.531 -3.973 1.00 0.50 O ATOM 930 CB ASN A 89 -3.564 10.779 -5.475 1.00 0.41 C ATOM 931 CG ASN A 89 -3.716 12.253 -5.832 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.813 12.855 -6.415 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.867 12.833 -5.525 1.00 1.62 N ATOM 0 H ASN A 89 -3.957 11.696 -2.672 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.680 9.448 -4.086 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -2.931 10.303 -6.224 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.543 10.304 -5.536 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -5.028 13.809 -5.772 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.592 12.303 -5.042 1.00 1.62 H new ATOM 940 N THR A 90 -0.693 10.668 -3.216 1.00 0.39 N ATOM 941 CA THR A 90 0.498 11.372 -2.788 1.00 0.50 C ATOM 942 C THR A 90 1.740 10.565 -3.081 1.00 0.55 C ATOM 943 O THR A 90 1.682 9.338 -3.197 1.00 0.69 O ATOM 944 CB THR A 90 0.471 11.641 -1.495 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.076 10.521 -0.779 1.00 1.67 O ATOM 946 CG2 THR A 90 -0.327 12.897 -1.189 1.00 1.22 C ATOM 0 H THR A 90 -0.673 9.661 -3.057 1.00 0.39 H new ATOM 0 HA THR A 90 0.521 12.307 -3.348 1.00 0.50 H new ATOM 0 HB THR A 90 1.496 11.822 -1.172 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.531 10.840 0.028 1.00 1.67 H new ATOM 0 HG21 THR A 90 -0.322 13.079 -0.114 1.00 1.22 H new ATOM 0 HG22 THR A 90 0.121 13.747 -1.703 1.00 1.22 H new ATOM 0 HG23 THR A 90 -1.354 12.768 -1.530 1.00 1.22 H new ATOM 954 N MET A 91 2.846 11.258 -3.270 1.00 0.72 N ATOM 955 CA MET A 91 4.124 10.600 -3.414 1.00 1.00 C ATOM 956 C MET A 91 5.068 11.065 -2.318 1.00 0.88 C ATOM 957 O MET A 91 5.404 12.247 -2.213 1.00 0.92 O ATOM 958 CB MET A 91 4.728 10.818 -4.808 1.00 1.53 C ATOM 959 CG MET A 91 4.995 12.268 -5.169 1.00 2.33 C ATOM 960 SD MET A 91 5.661 12.449 -6.836 1.00 3.24 S ATOM 961 CE MET A 91 7.102 11.387 -6.743 1.00 3.94 C ATOM 0 H MET A 91 2.883 12.276 -3.327 1.00 0.72 H new ATOM 0 HA MET A 91 3.969 9.526 -3.310 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.665 10.264 -4.873 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.054 10.392 -5.551 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.069 12.837 -5.087 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.696 12.695 -4.452 1.00 2.33 H new ATOM 0 HE1 MET A 91 7.802 11.653 -7.535 1.00 3.94 H new ATOM 0 HE2 MET A 91 7.585 11.513 -5.774 1.00 3.94 H new ATOM 0 HE3 MET A 91 6.796 10.348 -6.863 1.00 3.94 H new ATOM 971 N PHE A 92 5.455 10.124 -1.485 1.00 0.98 N ATOM 972 CA PHE A 92 6.328 10.397 -0.362 1.00 1.01 C ATOM 973 C PHE A 92 7.600 9.583 -0.508 1.00 0.90 C ATOM 974 O PHE A 92 7.560 8.357 -0.618 1.00 0.85 O ATOM 975 CB PHE A 92 5.616 10.060 0.956 1.00 1.24 C ATOM 976 CG PHE A 92 6.456 10.275 2.185 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.640 11.550 2.696 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.062 9.206 2.825 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.412 11.754 3.824 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.834 9.405 3.952 1.00 2.01 C ATOM 981 CZ PHE A 92 8.006 10.668 4.457 1.00 2.46 C ATOM 0 H PHE A 92 5.174 9.147 -1.566 1.00 0.98 H new ATOM 0 HA PHE A 92 6.584 11.456 -0.347 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.715 10.668 1.035 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.296 9.019 0.927 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.175 12.393 2.207 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.929 8.206 2.438 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.553 12.752 4.212 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.304 8.563 4.438 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.602 10.819 5.345 1.00 2.46 H new ATOM 991 N GLU A 93 8.724 10.261 -0.530 1.00 0.98 N ATOM 992 CA GLU A 93 9.991 9.583 -0.669 1.00 0.97 C ATOM 993 C GLU A 93 10.564 9.296 0.708 1.00 1.21 C ATOM 994 O GLU A 93 10.636 10.190 1.563 1.00 1.50 O ATOM 995 CB GLU A 93 10.954 10.423 -1.510 1.00 1.18 C ATOM 996 CG GLU A 93 10.462 10.637 -2.932 1.00 1.33 C ATOM 997 CD GLU A 93 11.337 11.581 -3.728 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.545 11.299 -3.875 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.813 12.596 -4.232 1.00 1.92 O ATOM 0 H GLU A 93 8.787 11.276 -0.454 1.00 0.98 H new ATOM 0 HA GLU A 93 9.843 8.635 -1.187 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.098 11.391 -1.031 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.927 9.933 -1.537 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.417 9.675 -3.443 1.00 1.33 H new ATOM 0 HG3 GLU A 93 9.446 11.030 -2.903 1.00 1.33 H new ATOM 1006 N TYR A 94 10.973 8.053 0.919 1.00 1.23 N ATOM 1007 CA TYR A 94 11.380 7.605 2.236 1.00 1.60 C ATOM 1008 C TYR A 94 12.887 7.410 2.286 1.00 1.67 C ATOM 1009 O TYR A 94 13.464 6.690 1.466 1.00 1.62 O ATOM 1010 CB TYR A 94 10.651 6.305 2.587 1.00 1.88 C ATOM 1011 CG TYR A 94 10.855 5.851 4.015 1.00 2.23 C ATOM 1012 CD1 TYR A 94 11.676 4.771 4.311 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.229 6.507 5.066 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.866 4.357 5.615 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.413 6.099 6.372 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.232 5.024 6.642 1.00 3.51 C ATOM 1017 OH TYR A 94 11.423 4.618 7.942 1.00 4.29 O ATOM 0 H TYR A 94 11.031 7.339 0.193 1.00 1.23 H new ATOM 0 HA TYR A 94 11.114 8.365 2.971 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.584 6.439 2.408 1.00 1.88 H new ATOM 0 HB3 TYR A 94 10.990 5.517 1.914 1.00 1.88 H new ATOM 0 HD1 TYR A 94 12.174 4.246 3.509 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.587 7.351 4.859 1.00 2.62 H new ATOM 0 HE1 TYR A 94 12.508 3.515 5.829 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.918 6.620 7.178 1.00 3.33 H new ATOM 0 HH TYR A 94 10.906 5.194 8.544 1.00 4.29 H new ATOM 1170 N LYS A 104 16.612 4.303 -1.294 1.00 1.52 N ATOM 1171 CA LYS A 104 15.775 5.477 -1.429 1.00 1.37 C ATOM 1172 C LYS A 104 14.516 5.108 -2.189 1.00 1.18 C ATOM 1173 O LYS A 104 14.545 4.946 -3.413 1.00 1.26 O ATOM 1174 CB LYS A 104 16.521 6.592 -2.160 1.00 1.53 C ATOM 1175 CG LYS A 104 15.657 7.808 -2.450 1.00 1.64 C ATOM 1176 CD LYS A 104 16.376 8.801 -3.346 1.00 2.24 C ATOM 1177 CE LYS A 104 15.424 9.853 -3.887 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.870 10.722 -2.816 1.00 3.12 N ATOM 0 HA LYS A 104 15.511 5.840 -0.436 1.00 1.37 H new ATOM 0 HB2 LYS A 104 17.378 6.899 -1.560 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.913 6.202 -3.099 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.730 7.491 -2.927 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.384 8.293 -1.513 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.175 9.286 -2.786 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.844 8.271 -4.176 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.947 10.470 -4.618 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.605 9.362 -4.412 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 13.841 10.811 -2.939 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 15.073 10.300 -1.887 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.308 11.664 -2.872 1.00 3.12 H new ATOM 1192 N VAL A 105 13.423 4.944 -1.463 1.00 1.04 N ATOM 1193 CA VAL A 105 12.169 4.561 -2.070 1.00 0.90 C ATOM 1194 C VAL A 105 11.210 5.726 -2.124 1.00 0.72 C ATOM 1195 O VAL A 105 11.399 6.735 -1.446 1.00 0.75 O ATOM 1196 CB VAL A 105 11.591 3.543 -1.451 1.00 1.00 C ATOM 1197 CG1 VAL A 105 12.431 2.283 -1.606 1.00 1.23 C ATOM 1198 CG2 VAL A 105 11.340 3.847 0.019 1.00 1.11 C ATOM 0 H VAL A 105 13.383 5.071 -0.452 1.00 1.04 H new ATOM 0 HA VAL A 105 12.411 4.242 -3.084 1.00 0.90 H new ATOM 0 HB VAL A 105 10.620 3.377 -1.919 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.943 1.455 -1.092 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.535 2.043 -2.664 1.00 1.23 H new ATOM 0 HG13 VAL A 105 13.418 2.448 -1.173 1.00 1.23 H new ATOM 0 HG21 VAL A 105 10.865 2.988 0.492 1.00 1.11 H new ATOM 0 HG22 VAL A 105 12.288 4.056 0.514 1.00 1.11 H new ATOM 0 HG23 VAL A 105 10.687 4.716 0.105 1.00 1.11 H new ATOM 1208 N LYS A 106 10.215 5.602 -2.970 1.00 0.64 N ATOM 1209 CA LYS A 106 9.174 6.601 -3.072 1.00 0.59 C ATOM 1210 C LYS A 106 7.834 5.913 -3.230 1.00 0.53 C ATOM 1211 O LYS A 106 7.671 5.043 -4.085 1.00 0.68 O ATOM 1212 CB LYS A 106 9.432 7.554 -4.251 1.00 0.79 C ATOM 1213 CG LYS A 106 9.382 6.889 -5.623 1.00 1.39 C ATOM 1214 CD LYS A 106 9.555 7.899 -6.747 1.00 1.61 C ATOM 1215 CE LYS A 106 10.969 8.448 -6.798 1.00 2.08 C ATOM 1216 NZ LYS A 106 11.119 9.495 -7.842 1.00 2.36 N ATOM 0 H LYS A 106 10.103 4.811 -3.604 1.00 0.64 H new ATOM 0 HA LYS A 106 9.171 7.199 -2.161 1.00 0.59 H new ATOM 0 HB2 LYS A 106 8.694 8.356 -4.222 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.410 8.017 -4.121 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.165 6.134 -5.689 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.430 6.372 -5.742 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.313 7.428 -7.700 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.851 8.720 -6.610 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.232 8.864 -5.826 1.00 2.08 H new ATOM 0 HE3 LYS A 106 11.667 7.635 -6.996 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 12.099 9.844 -7.845 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.893 9.091 -8.773 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.471 10.283 -7.639 1.00 2.36 H new ATOM 1230 N VAL A 107 6.889 6.267 -2.383 1.00 0.47 N ATOM 1231 CA VAL A 107 5.545 5.733 -2.523 1.00 0.49 C ATOM 1232 C VAL A 107 4.696 6.651 -3.346 1.00 0.45 C ATOM 1233 O VAL A 107 4.893 7.862 -3.339 1.00 0.74 O ATOM 1234 CB VAL A 107 4.898 5.501 -1.384 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.238 4.112 -0.857 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.185 6.553 -0.324 1.00 1.11 C ATOM 0 H VAL A 107 7.020 6.911 -1.603 1.00 0.47 H new ATOM 0 HA VAL A 107 5.699 4.768 -3.005 1.00 0.49 H new ATOM 0 HB VAL A 107 3.832 5.555 -1.605 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.702 3.935 0.075 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.945 3.362 -1.592 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.311 4.044 -0.677 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.632 6.315 0.584 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.253 6.567 -0.105 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.877 7.532 -0.690 1.00 1.11 H new ATOM 1246 N HIS A 108 3.815 6.073 -4.121 1.00 0.30 N ATOM 1247 CA HIS A 108 2.744 6.832 -4.687 1.00 0.31 C ATOM 1248 C HIS A 108 1.468 6.064 -4.444 1.00 0.28 C ATOM 1249 O HIS A 108 1.181 5.068 -5.109 1.00 0.31 O ATOM 1250 CB HIS A 108 2.970 7.094 -6.180 1.00 0.43 C ATOM 1251 CG HIS A 108 2.038 8.116 -6.766 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.640 8.113 -8.086 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.440 9.193 -6.205 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.842 9.141 -8.307 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.705 9.814 -7.183 1.00 0.80 N ATOM 0 H HIS A 108 3.822 5.084 -4.370 1.00 0.30 H new ATOM 0 HA HIS A 108 2.686 7.813 -4.216 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.998 7.426 -6.329 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.855 6.157 -6.725 1.00 0.43 H new ATOM 0 HD1 HIS A 108 1.919 7.423 -8.784 1.00 0.94 H new ATOM 0 HD2 HIS A 108 1.526 9.506 -5.175 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.379 9.389 -9.251 1.00 1.01 H new ATOM 1264 N MET A 109 0.726 6.527 -3.469 1.00 0.31 N ATOM 1265 CA MET A 109 -0.540 5.926 -3.131 1.00 0.33 C ATOM 1266 C MET A 109 -1.625 6.792 -3.709 1.00 0.37 C ATOM 1267 O MET A 109 -1.666 7.991 -3.447 1.00 0.55 O ATOM 1268 CB MET A 109 -0.686 5.748 -1.613 1.00 0.43 C ATOM 1269 CG MET A 109 -0.227 6.941 -0.788 1.00 0.77 C ATOM 1270 SD MET A 109 -0.285 6.611 0.986 1.00 1.28 S ATOM 1271 CE MET A 109 0.824 5.210 1.108 1.00 2.22 C ATOM 0 H MET A 109 0.981 7.327 -2.890 1.00 0.31 H new ATOM 0 HA MET A 109 -0.610 4.924 -3.554 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.732 5.545 -1.383 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.116 4.871 -1.307 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.791 7.207 -1.073 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.856 7.801 -1.016 1.00 0.77 H new ATOM 0 HE1 MET A 109 1.400 5.281 2.030 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.245 4.287 1.113 1.00 2.22 H new ATOM 0 HE3 MET A 109 1.503 5.208 0.255 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.478 6.204 -4.525 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.346 6.991 -5.365 1.00 0.30 C ATOM 1283 C LYS A 110 -4.738 6.412 -5.394 1.00 0.24 C ATOM 1284 O LYS A 110 -4.918 5.211 -5.556 1.00 0.24 O ATOM 1285 CB LYS A 110 -2.765 7.075 -6.783 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.447 5.714 -7.397 1.00 0.64 C ATOM 1287 CD LYS A 110 -1.852 5.836 -8.791 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.826 6.469 -9.772 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.261 6.509 -11.143 1.00 1.73 N ATOM 0 H LYS A 110 -2.585 5.194 -4.621 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.412 7.997 -4.951 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.473 7.597 -7.426 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -1.855 7.674 -6.758 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -1.749 5.181 -6.752 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.358 5.117 -7.444 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -0.942 6.435 -8.746 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.566 4.848 -9.151 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.759 5.905 -9.777 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.067 7.481 -9.446 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.949 6.946 -11.789 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -1.384 7.068 -11.141 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.054 5.541 -11.461 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.710 7.278 -5.228 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.090 6.911 -5.321 1.00 0.22 C ATOM 1305 C LYS A 111 -7.399 6.274 -6.668 1.00 0.22 C ATOM 1306 O LYS A 111 -7.275 6.903 -7.721 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.886 8.180 -5.109 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.384 8.032 -5.284 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.077 9.365 -5.082 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.567 9.267 -5.359 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.228 8.259 -4.487 1.00 1.78 N ATOM 0 H LYS A 111 -5.556 8.265 -5.023 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.350 6.164 -4.571 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.688 8.552 -4.104 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.527 8.937 -5.806 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.603 7.649 -6.281 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.769 7.304 -4.570 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.918 9.707 -4.059 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.632 10.111 -5.741 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.030 10.241 -5.203 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.725 9.002 -6.404 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.254 8.427 -4.479 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.036 7.304 -4.853 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.856 8.340 -3.519 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.772 5.003 -6.603 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.070 4.207 -7.775 1.00 0.26 C ATOM 1327 C ALA A 112 -9.217 4.830 -8.564 1.00 0.38 C ATOM 1328 O ALA A 112 -10.126 5.426 -7.982 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.421 2.786 -7.369 1.00 0.33 C ATOM 0 H ALA A 112 -7.876 4.495 -5.724 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.186 4.181 -8.412 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.643 2.198 -8.259 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.579 2.340 -6.840 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.294 2.799 -6.716 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.181 4.683 -9.878 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.192 5.282 -10.743 1.00 0.64 C ATOM 1337 C LEU A 113 -11.546 4.586 -10.582 1.00 0.76 C ATOM 1338 O LEU A 113 -12.539 4.995 -11.187 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.752 5.231 -12.214 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.595 6.161 -12.614 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.873 7.590 -12.173 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.264 5.671 -12.057 1.00 2.39 C ATOM 0 H LEU A 113 -8.463 4.154 -10.373 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.302 6.324 -10.442 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.464 4.206 -12.449 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.614 5.470 -12.837 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.522 6.146 -13.701 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.041 8.230 -12.467 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -9.788 7.945 -12.646 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.989 7.620 -11.090 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -6.470 6.353 -12.360 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.316 5.635 -10.969 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.053 4.674 -12.443 1.00 2.39 H new ATOM 1354 N SER A 114 -11.583 3.540 -9.768 1.00 0.73 N ATOM 1355 CA SER A 114 -12.809 2.804 -9.516 1.00 0.92 C ATOM 1356 C SER A 114 -13.639 3.464 -8.410 1.00 0.93 C ATOM 1357 O SER A 114 -14.835 3.198 -8.277 1.00 1.27 O ATOM 1358 CB SER A 114 -12.465 1.361 -9.153 1.00 1.04 C ATOM 1359 OG SER A 114 -11.323 1.314 -8.316 1.00 1.66 O ATOM 0 H SER A 114 -10.769 3.182 -9.268 1.00 0.73 H new ATOM 0 HA SER A 114 -13.417 2.812 -10.421 1.00 0.92 H new ATOM 0 HB2 SER A 114 -13.312 0.896 -8.648 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.281 0.786 -10.061 1.00 1.04 H new ATOM 0 HG SER A 114 -11.119 0.382 -8.093 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.010 4.328 -7.617 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.742 5.047 -6.591 1.00 0.79 C ATOM 1367 C GLY A 115 -13.116 4.924 -5.217 1.00 0.78 C ATOM 1368 O GLY A 115 -12.052 5.495 -4.957 1.00 1.52 O ATOM 0 H GLY A 115 -12.014 4.541 -7.666 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.799 6.101 -6.865 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.765 4.672 -6.553 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.769 4.176 -4.334 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.308 4.049 -2.956 1.00 0.85 C ATOM 1374 C ASP A 116 -12.255 2.953 -2.832 1.00 0.80 C ATOM 1375 O ASP A 116 -12.476 1.894 -2.251 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.481 3.818 -1.989 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.225 2.512 -2.213 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.531 1.826 -1.218 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.522 2.173 -3.377 1.00 2.79 O ATOM 0 H ASP A 116 -14.617 3.650 -4.547 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.840 4.992 -2.673 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.104 3.837 -0.967 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.185 4.645 -2.085 1.00 1.25 H new ATOM 1384 N SER A 117 -11.108 3.225 -3.416 1.00 0.42 N ATOM 1385 CA SER A 117 -9.955 2.357 -3.337 1.00 0.29 C ATOM 1386 C SER A 117 -8.717 3.168 -3.633 1.00 0.22 C ATOM 1387 O SER A 117 -8.799 4.204 -4.291 1.00 0.25 O ATOM 1388 CB SER A 117 -10.091 1.182 -4.297 1.00 0.34 C ATOM 1389 OG SER A 117 -10.690 1.580 -5.515 1.00 0.44 O ATOM 0 H SER A 117 -10.949 4.068 -3.967 1.00 0.42 H new ATOM 0 HA SER A 117 -9.879 1.939 -2.333 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.108 0.756 -4.495 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.690 0.398 -3.833 1.00 0.34 H new ATOM 0 HG SER A 117 -10.476 0.927 -6.214 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.588 2.733 -3.119 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.349 3.487 -3.261 1.00 0.19 C ATOM 1397 C TYR A 118 -5.180 2.543 -3.517 1.00 0.20 C ATOM 1398 O TYR A 118 -5.058 1.504 -2.872 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.087 4.331 -2.004 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.260 5.178 -1.589 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.133 4.743 -0.614 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.476 6.418 -2.162 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.198 5.522 -0.208 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.543 7.208 -1.768 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.444 6.729 -0.861 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.455 7.532 -0.369 1.00 0.42 O ATOM 0 H TYR A 118 -7.496 1.861 -2.598 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.449 4.158 -4.114 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.820 3.668 -1.181 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.228 4.978 -2.184 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.981 3.775 -0.160 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.803 6.775 -2.927 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.832 5.201 0.605 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.662 8.200 -2.177 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.809 7.143 0.458 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.327 2.899 -4.463 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.194 2.076 -4.803 1.00 0.22 C ATOM 1418 C TRP A 119 -2.023 2.413 -3.913 1.00 0.25 C ATOM 1419 O TRP A 119 -1.978 3.479 -3.310 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.763 2.324 -6.239 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.731 1.895 -7.291 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.964 2.419 -7.558 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.512 0.870 -8.253 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.533 1.752 -8.621 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.657 0.794 -9.061 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.455 -0.004 -8.497 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.771 -0.122 -10.103 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.564 -0.907 -9.521 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.714 -0.968 -10.319 1.00 0.42 C ATOM 0 H TRP A 119 -4.404 3.758 -5.008 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.491 1.035 -4.673 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.571 3.390 -6.362 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.818 1.808 -6.409 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.424 3.233 -7.017 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.455 1.940 -9.016 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.564 0.030 -7.888 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.658 -0.165 -10.718 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.747 -1.586 -9.717 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.769 -1.693 -11.117 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.078 1.498 -3.859 1.00 0.28 N ATOM 1441 CA VAL A 120 0.170 1.688 -3.139 1.00 0.32 C ATOM 1442 C VAL A 120 1.311 1.096 -3.961 1.00 0.34 C ATOM 1443 O VAL A 120 1.579 -0.104 -3.898 1.00 0.43 O ATOM 1444 CB VAL A 120 0.147 1.080 -1.952 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.464 1.289 -1.208 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.016 1.537 -1.082 1.00 0.62 C ATOM 0 H VAL A 120 -1.153 0.590 -4.318 1.00 0.28 H new ATOM 0 HA VAL A 120 0.311 2.757 -2.981 1.00 0.32 H new ATOM 0 HB VAL A 120 0.009 0.018 -2.153 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.421 0.784 -0.243 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.284 0.877 -1.797 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.629 2.355 -1.052 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.986 1.010 -0.128 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.939 2.610 -0.906 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.957 1.318 -1.588 1.00 0.62 H new ATOM 1456 N PHE A 121 1.990 1.922 -4.732 1.00 0.34 N ATOM 1457 CA PHE A 121 3.139 1.446 -5.463 1.00 0.42 C ATOM 1458 C PHE A 121 4.388 2.204 -5.045 1.00 0.40 C ATOM 1459 O PHE A 121 4.338 3.409 -4.781 1.00 0.49 O ATOM 1460 CB PHE A 121 2.875 1.517 -6.967 1.00 0.61 C ATOM 1461 CG PHE A 121 3.034 2.856 -7.631 1.00 0.49 C ATOM 1462 CD1 PHE A 121 1.925 3.642 -7.885 1.00 0.52 C ATOM 1463 CD2 PHE A 121 4.281 3.303 -8.048 1.00 0.98 C ATOM 1464 CE1 PHE A 121 2.052 4.852 -8.539 1.00 0.96 C ATOM 1465 CE2 PHE A 121 4.415 4.515 -8.695 1.00 1.49 C ATOM 1466 CZ PHE A 121 3.300 5.289 -8.944 1.00 1.45 C ATOM 0 H PHE A 121 1.769 2.909 -4.865 1.00 0.34 H new ATOM 0 HA PHE A 121 3.315 0.398 -5.221 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.545 0.814 -7.461 1.00 0.61 H new ATOM 0 HB3 PHE A 121 1.858 1.169 -7.148 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.949 3.306 -7.568 1.00 0.52 H new ATOM 0 HD2 PHE A 121 5.155 2.696 -7.864 1.00 0.98 H new ATOM 0 HE1 PHE A 121 1.178 5.456 -8.734 1.00 0.96 H new ATOM 0 HE2 PHE A 121 5.391 4.857 -9.006 1.00 1.49 H new ATOM 0 HZ PHE A 121 3.402 6.235 -9.455 1.00 1.45 H new ATOM 1476 N VAL A 122 5.493 1.482 -4.953 1.00 0.49 N ATOM 1477 CA VAL A 122 6.742 2.038 -4.466 1.00 0.61 C ATOM 1478 C VAL A 122 7.844 1.850 -5.505 1.00 0.73 C ATOM 1479 O VAL A 122 7.769 0.952 -6.345 1.00 0.95 O ATOM 1480 CB VAL A 122 7.080 1.487 -3.295 1.00 0.77 C ATOM 1481 CG1 VAL A 122 7.403 0.003 -3.446 1.00 1.61 C ATOM 1482 CG2 VAL A 122 8.221 2.229 -2.615 1.00 1.52 C ATOM 0 H VAL A 122 5.548 0.497 -5.213 1.00 0.49 H new ATOM 0 HA VAL A 122 6.609 3.107 -4.302 1.00 0.61 H new ATOM 0 HB VAL A 122 6.208 1.576 -2.647 1.00 0.77 H new ATOM 0 HG11 VAL A 122 7.673 -0.411 -2.475 1.00 1.61 H new ATOM 0 HG12 VAL A 122 6.530 -0.522 -3.834 1.00 1.61 H new ATOM 0 HG13 VAL A 122 8.237 -0.119 -4.137 1.00 1.61 H new ATOM 0 HG21 VAL A 122 8.458 1.743 -1.669 1.00 1.52 H new ATOM 0 HG22 VAL A 122 9.100 2.215 -3.260 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.924 3.261 -2.429 1.00 1.52 H new ATOM 1492 N LYS A 123 8.822 2.742 -5.499 1.00 0.76 N ATOM 1493 CA LYS A 123 9.913 2.678 -6.450 1.00 0.97 C ATOM 1494 C LYS A 123 11.209 3.110 -5.787 1.00 1.04 C ATOM 1495 O LYS A 123 11.214 4.038 -4.984 1.00 1.02 O ATOM 1496 CB LYS A 123 9.612 3.571 -7.657 1.00 1.11 C ATOM 1497 CG LYS A 123 9.897 2.904 -8.992 1.00 1.66 C ATOM 1498 CD LYS A 123 9.064 1.645 -9.165 1.00 2.03 C ATOM 1499 CE LYS A 123 9.329 0.968 -10.497 1.00 2.74 C ATOM 1500 NZ LYS A 123 8.554 -0.293 -10.640 1.00 3.45 N ATOM 0 H LYS A 123 8.880 3.520 -4.842 1.00 0.76 H new ATOM 0 HA LYS A 123 10.021 1.649 -6.794 1.00 0.97 H new ATOM 0 HB2 LYS A 123 8.564 3.869 -7.626 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.205 4.482 -7.581 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.682 3.600 -9.803 1.00 1.66 H new ATOM 0 HG3 LYS A 123 10.956 2.655 -9.058 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.284 0.950 -8.355 1.00 2.03 H new ATOM 0 HD3 LYS A 123 8.006 1.897 -9.090 1.00 2.03 H new ATOM 0 HE2 LYS A 123 9.069 1.648 -11.308 1.00 2.74 H new ATOM 0 HE3 LYS A 123 10.394 0.753 -10.590 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 8.762 -0.726 -11.563 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 8.820 -0.952 -9.881 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 7.537 -0.085 -10.577 1.00 3.45 H new