USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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 32 GLN : amide:sc= -2.71 X(o=-2.7,f=-3!) USER MOD Set 1.2: A 114 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 111 LYS NZ :NH3+ -113:sc= 0.0402 (180deg=-0.0294) USER MOD Set 2.2: A 118 TYR OH : rot 144:sc= 0.0251 USER MOD Set 3.1: A 85 SER OG : rot 110:sc= 1.11 USER MOD Set 3.2: A 87 ASN : amide:sc= 0.81 K(o=1.9,f=-2.5!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0158 K(o=0.016,f=-0.55) USER MOD Single : A 42 TYR OH : rot 87:sc= 1.17 USER MOD Single : A 43 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.0354 (180deg=-0.226) USER MOD Single : A 80 LYS NZ :NH3+ -108:sc= 1.09 (180deg=-0.0327) USER MOD Single : A 89 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.2) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.17) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00306 X(o=-0.0031,f=0) USER MOD Single : A 109 MET CE :methyl -111:sc= -1.2 (180deg=-7.13!) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc=-0.00428 (180deg=-0.0566) USER MOD Single : A 117 SER OG : rot -76:sc= -0.16 USER MOD Single : A 123 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0586) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.207 -3.279 -7.448 1.00 1.43 N ATOM 51 CA GLY A 29 5.990 -2.080 -6.664 1.00 0.99 C ATOM 52 C GLY A 29 4.725 -1.356 -7.059 1.00 0.78 C ATOM 53 O GLY A 29 4.687 -0.129 -7.088 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.940 -2.344 -5.608 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.842 -1.411 -6.785 1.00 0.99 H new ATOM 57 N ALA A 30 3.689 -2.118 -7.370 1.00 0.70 N ATOM 58 CA ALA A 30 2.412 -1.546 -7.756 1.00 0.54 C ATOM 59 C ALA A 30 1.264 -2.392 -7.221 1.00 0.49 C ATOM 60 O ALA A 30 0.995 -3.479 -7.732 1.00 0.60 O ATOM 61 CB ALA A 30 2.323 -1.429 -9.271 1.00 0.68 C ATOM 0 H ALA A 30 3.709 -3.138 -7.362 1.00 0.70 H new ATOM 0 HA ALA A 30 2.335 -0.548 -7.324 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.360 -0.999 -9.547 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.125 -0.786 -9.634 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.420 -2.418 -9.719 1.00 0.68 H new ATOM 67 N ILE A 31 0.599 -1.911 -6.184 1.00 0.40 N ATOM 68 CA ILE A 31 -0.511 -2.643 -5.599 1.00 0.39 C ATOM 69 C ILE A 31 -1.702 -1.731 -5.360 1.00 0.35 C ATOM 70 O ILE A 31 -1.549 -0.552 -5.060 1.00 0.36 O ATOM 71 CB ILE A 31 -0.159 -3.268 -4.480 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.297 -4.100 -3.899 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.399 -2.294 -3.441 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.976 -4.726 -2.556 1.00 0.90 C ATOM 0 H ILE A 31 0.807 -1.021 -5.732 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.806 -3.407 -6.318 1.00 0.39 H new ATOM 0 HB ILE A 31 0.638 -3.961 -4.749 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.179 -3.468 -3.793 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.554 -4.890 -4.605 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.676 -2.842 -2.540 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.279 -1.794 -3.846 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.359 -1.551 -3.195 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.834 -5.302 -2.208 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.114 -5.385 -2.659 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.749 -3.942 -1.834 1.00 0.90 H new ATOM 86 N GLN A 32 -2.879 -2.253 -5.624 1.00 0.38 N ATOM 87 CA GLN A 32 -4.103 -1.526 -5.361 1.00 0.40 C ATOM 88 C GLN A 32 -4.852 -2.148 -4.200 1.00 0.37 C ATOM 89 O GLN A 32 -5.061 -3.365 -4.153 1.00 0.44 O ATOM 90 CB GLN A 32 -4.995 -1.460 -6.603 1.00 0.50 C ATOM 91 CG GLN A 32 -5.345 -2.808 -7.217 1.00 0.55 C ATOM 92 CD GLN A 32 -6.384 -2.731 -8.322 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.359 -3.531 -9.253 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.314 -1.791 -8.228 1.00 0.93 N ATOM 0 H GLN A 32 -3.016 -3.182 -6.022 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.831 -0.505 -5.095 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.920 -0.946 -6.341 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.496 -0.852 -7.358 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.437 -3.261 -7.616 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.712 -3.469 -6.432 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.306 -1.142 -7.441 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.038 -1.717 -8.943 1.00 0.93 H new ATOM 103 N LEU A 33 -5.230 -1.312 -3.256 1.00 0.34 N ATOM 104 CA LEU A 33 -6.007 -1.760 -2.111 1.00 0.36 C ATOM 105 C LEU A 33 -7.235 -0.890 -1.949 1.00 0.35 C ATOM 106 O LEU A 33 -7.291 0.217 -2.474 1.00 0.43 O ATOM 107 CB LEU A 33 -5.140 -1.781 -0.842 1.00 0.45 C ATOM 108 CG LEU A 33 -4.399 -0.480 -0.489 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.328 0.532 0.165 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.216 -0.775 0.420 1.00 0.71 C ATOM 0 H LEU A 33 -5.013 -0.315 -3.256 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.345 -2.782 -2.282 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.777 -2.049 0.001 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.401 -2.575 -0.948 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.033 -0.044 -1.418 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.771 1.439 0.401 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.142 0.774 -0.519 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.738 0.110 1.082 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.702 0.155 0.661 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.571 -1.242 1.339 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.527 -1.450 -0.087 1.00 0.71 H new ATOM 122 N ASP A 34 -8.231 -1.399 -1.259 1.00 0.35 N ATOM 123 CA ASP A 34 -9.471 -0.648 -1.082 1.00 0.45 C ATOM 124 C ASP A 34 -9.373 0.320 0.089 1.00 0.53 C ATOM 125 O ASP A 34 -8.469 0.230 0.922 1.00 0.58 O ATOM 126 CB ASP A 34 -10.700 -1.571 -0.939 1.00 0.55 C ATOM 127 CG ASP A 34 -10.755 -2.387 0.348 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.069 -2.040 1.327 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.525 -3.371 0.388 1.00 1.15 O ATOM 0 H ASP A 34 -8.216 -2.316 -0.814 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.615 -0.064 -1.991 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.601 -0.961 -1.002 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.719 -2.257 -1.786 1.00 0.55 H new ATOM 134 N GLY A 35 -10.309 1.252 0.130 1.00 0.67 N ATOM 135 CA GLY A 35 -10.354 2.238 1.196 1.00 0.84 C ATOM 136 C GLY A 35 -10.945 1.681 2.474 1.00 0.85 C ATOM 137 O GLY A 35 -11.414 2.426 3.335 1.00 1.20 O ATOM 0 H GLY A 35 -11.050 1.347 -0.564 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.346 2.601 1.394 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.943 3.095 0.870 1.00 0.84 H new ATOM 141 N ASP A 36 -10.920 0.366 2.593 1.00 0.69 N ATOM 142 CA ASP A 36 -11.454 -0.319 3.750 1.00 0.83 C ATOM 143 C ASP A 36 -10.332 -0.964 4.546 1.00 0.83 C ATOM 144 O ASP A 36 -10.456 -1.176 5.753 1.00 1.10 O ATOM 145 CB ASP A 36 -12.452 -1.383 3.307 1.00 0.89 C ATOM 146 CG ASP A 36 -13.866 -0.856 3.192 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.236 -0.364 2.103 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.611 -0.911 4.191 1.00 1.77 O ATOM 0 H ASP A 36 -10.527 -0.256 1.887 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.961 0.408 4.384 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.141 -1.786 2.343 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.435 -2.208 4.019 1.00 0.89 H new ATOM 153 N GLY A 37 -9.243 -1.285 3.858 1.00 0.67 N ATOM 154 CA GLY A 37 -8.104 -1.906 4.506 1.00 0.81 C ATOM 155 C GLY A 37 -7.798 -3.270 3.923 1.00 0.78 C ATOM 156 O GLY A 37 -7.001 -4.030 4.477 1.00 1.05 O ATOM 0 H GLY A 37 -9.129 -1.125 2.857 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.231 -1.262 4.401 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.302 -2.003 5.573 1.00 0.81 H new ATOM 160 N ASN A 38 -8.425 -3.579 2.797 1.00 0.61 N ATOM 161 CA ASN A 38 -8.255 -4.870 2.152 1.00 0.73 C ATOM 162 C ASN A 38 -7.463 -4.719 0.864 1.00 0.57 C ATOM 163 O ASN A 38 -7.602 -3.726 0.149 1.00 0.49 O ATOM 164 CB ASN A 38 -9.616 -5.504 1.837 1.00 0.95 C ATOM 165 CG ASN A 38 -10.472 -5.710 3.072 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.376 -6.735 3.748 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.333 -4.746 3.360 1.00 1.38 N ATOM 0 H ASN A 38 -9.060 -2.947 2.309 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.710 -5.518 2.839 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.152 -4.869 1.131 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.459 -6.464 1.346 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.949 -4.837 4.168 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.380 -3.913 2.774 1.00 1.38 H new ATOM 174 N ILE A 39 -6.625 -5.699 0.572 1.00 0.65 N ATOM 175 CA ILE A 39 -5.870 -5.698 -0.661 1.00 0.57 C ATOM 176 C ILE A 39 -6.764 -6.184 -1.798 1.00 0.59 C ATOM 177 O ILE A 39 -7.578 -7.091 -1.612 1.00 0.77 O ATOM 178 CB ILE A 39 -4.794 -6.472 -0.565 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.881 -6.026 0.584 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.009 -6.501 -1.874 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.383 -4.599 0.469 1.00 1.18 C ATOM 0 H ILE A 39 -6.453 -6.504 1.174 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.533 -4.681 -0.864 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.148 -7.481 -0.352 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.421 -6.135 1.525 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.022 -6.695 0.630 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.136 -7.143 -1.760 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.644 -6.889 -2.670 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.686 -5.491 -2.127 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.745 -4.366 1.322 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.812 -4.486 -0.453 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.233 -3.917 0.455 1.00 1.18 H new ATOM 193 N LEU A 40 -6.653 -5.548 -2.953 1.00 0.51 N ATOM 194 CA LEU A 40 -7.507 -5.882 -4.081 1.00 0.61 C ATOM 195 C LEU A 40 -6.730 -6.642 -5.152 1.00 0.60 C ATOM 196 O LEU A 40 -7.143 -7.722 -5.579 1.00 0.72 O ATOM 197 CB LEU A 40 -8.127 -4.612 -4.674 1.00 0.66 C ATOM 198 CG LEU A 40 -9.158 -4.845 -5.782 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.324 -5.672 -5.262 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.650 -3.516 -6.338 1.00 1.54 C ATOM 0 H LEU A 40 -5.983 -4.801 -3.134 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.306 -6.529 -3.720 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.602 -4.050 -3.870 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.327 -3.987 -5.070 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.678 -5.400 -6.588 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.046 -5.827 -6.064 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.958 -6.637 -4.912 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.805 -5.145 -4.438 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.382 -3.699 -7.124 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.113 -2.936 -5.539 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -8.808 -2.959 -6.749 1.00 1.54 H new ATOM 212 N GLN A 41 -5.600 -6.084 -5.574 1.00 0.50 N ATOM 213 CA GLN A 41 -4.814 -6.691 -6.649 1.00 0.55 C ATOM 214 C GLN A 41 -3.395 -6.133 -6.682 1.00 0.46 C ATOM 215 O GLN A 41 -3.166 -4.966 -6.363 1.00 0.46 O ATOM 216 CB GLN A 41 -5.500 -6.453 -8.003 1.00 0.67 C ATOM 217 CG GLN A 41 -4.790 -7.103 -9.185 1.00 1.08 C ATOM 218 CD GLN A 41 -4.706 -8.614 -9.064 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.578 -9.253 -8.475 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.650 -9.194 -9.611 1.00 2.37 N ATOM 0 H GLN A 41 -5.209 -5.222 -5.195 1.00 0.50 H new ATOM 0 HA GLN A 41 -4.753 -7.762 -6.456 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.520 -6.833 -7.953 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.568 -5.380 -8.180 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -5.316 -6.846 -10.105 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.783 -6.693 -9.268 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -2.949 -8.629 -10.091 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.537 -10.206 -9.553 1.00 2.37 H new ATOM 229 N TYR A 42 -2.446 -6.977 -7.072 1.00 0.57 N ATOM 230 CA TYR A 42 -1.055 -6.567 -7.191 1.00 0.58 C ATOM 231 C TYR A 42 -0.615 -6.621 -8.651 1.00 0.65 C ATOM 232 O TYR A 42 -1.145 -7.407 -9.442 1.00 0.79 O ATOM 233 CB TYR A 42 -0.153 -7.460 -6.330 1.00 0.71 C ATOM 234 CG TYR A 42 1.251 -6.922 -6.182 1.00 0.82 C ATOM 235 CD1 TYR A 42 2.304 -7.440 -6.923 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.515 -5.875 -5.312 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.582 -6.929 -6.798 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.787 -5.361 -5.178 1.00 1.02 C ATOM 239 CZ TYR A 42 3.817 -5.889 -5.924 1.00 1.21 C ATOM 240 OH TYR A 42 5.085 -5.371 -5.799 1.00 1.42 O ATOM 0 H TYR A 42 -2.618 -7.953 -7.312 1.00 0.57 H new ATOM 0 HA TYR A 42 -0.964 -5.541 -6.833 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.599 -7.570 -5.342 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.109 -8.455 -6.773 1.00 0.71 H new ATOM 0 HD1 TYR A 42 2.122 -8.255 -7.608 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.709 -5.455 -4.729 1.00 0.82 H new ATOM 0 HE1 TYR A 42 4.392 -7.342 -7.381 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.975 -4.549 -4.492 1.00 1.02 H new ATOM 0 HH TYR A 42 5.222 -4.676 -6.476 1.00 1.42 H new ATOM 250 N ASN A 43 0.338 -5.771 -9.001 1.00 0.63 N ATOM 251 CA ASN A 43 0.853 -5.701 -10.361 1.00 0.75 C ATOM 252 C ASN A 43 2.375 -5.756 -10.351 1.00 0.92 C ATOM 253 O ASN A 43 3.024 -5.080 -9.551 1.00 1.02 O ATOM 254 CB ASN A 43 0.394 -4.408 -11.045 1.00 0.78 C ATOM 255 CG ASN A 43 -1.114 -4.272 -11.104 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.754 -4.696 -12.064 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.694 -3.679 -10.075 1.00 0.88 N ATOM 0 H ASN A 43 0.775 -5.113 -8.355 1.00 0.63 H new ATOM 0 HA ASN A 43 0.464 -6.554 -10.917 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.810 -3.554 -10.511 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.796 -4.377 -12.058 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.707 -3.560 -10.059 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.129 -3.340 -9.297 1.00 0.88 H new ATOM 756 N GLY A 77 1.061 6.698 2.731 1.00 3.20 N ATOM 757 CA GLY A 77 1.177 8.100 2.407 1.00 2.71 C ATOM 758 C GLY A 77 0.113 8.912 3.100 1.00 1.94 C ATOM 759 O GLY A 77 -0.706 9.557 2.448 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.162 8.463 2.699 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.095 8.234 1.328 1.00 2.71 H new ATOM 763 N LYS A 78 0.124 8.858 4.432 1.00 1.39 N ATOM 764 CA LYS A 78 -0.880 9.528 5.257 1.00 1.29 C ATOM 765 C LYS A 78 -2.268 8.962 4.965 1.00 1.03 C ATOM 766 O LYS A 78 -3.256 9.689 4.983 1.00 1.02 O ATOM 767 CB LYS A 78 -0.869 11.044 5.019 1.00 2.10 C ATOM 768 CG LYS A 78 0.466 11.712 5.315 1.00 2.61 C ATOM 769 CD LYS A 78 0.387 13.213 5.084 1.00 3.18 C ATOM 770 CE LYS A 78 1.722 13.897 5.333 1.00 3.78 C ATOM 771 NZ LYS A 78 2.243 13.636 6.700 1.00 4.14 N ATOM 0 H LYS A 78 0.828 8.350 4.968 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.633 9.345 6.303 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.138 11.240 3.981 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.638 11.504 5.640 1.00 2.10 H new ATOM 0 HG2 LYS A 78 0.755 11.514 6.347 1.00 2.61 H new ATOM 0 HG3 LYS A 78 1.240 11.283 4.679 1.00 2.61 H new ATOM 0 HD2 LYS A 78 0.066 13.406 4.061 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.369 13.642 5.742 1.00 3.18 H new ATOM 0 HE2 LYS A 78 2.448 13.550 4.598 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.610 14.972 5.188 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 3.050 14.264 6.890 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 1.493 13.816 7.398 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 2.551 12.645 6.771 1.00 4.14 H new ATOM 785 N PHE A 79 -2.326 7.646 4.745 1.00 0.95 N ATOM 786 CA PHE A 79 -3.557 6.946 4.351 1.00 0.77 C ATOM 787 C PHE A 79 -4.753 7.344 5.219 1.00 0.70 C ATOM 788 O PHE A 79 -5.894 7.402 4.722 1.00 0.64 O ATOM 789 CB PHE A 79 -3.334 5.429 4.432 1.00 0.88 C ATOM 790 CG PHE A 79 -4.492 4.598 3.941 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.439 4.105 4.826 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.628 4.309 2.593 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.499 3.341 4.371 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.684 3.547 2.135 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.621 3.062 3.024 1.00 0.82 C ATOM 0 H PHE A 79 -1.518 7.031 4.835 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.789 7.236 3.326 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.448 5.174 3.851 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.124 5.160 5.467 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.348 4.319 5.881 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.898 4.685 1.891 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.231 2.963 5.069 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.777 3.331 1.081 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.448 2.466 2.667 1.00 0.82 H new ATOM 805 N LYS A 80 -4.475 7.652 6.497 1.00 0.82 N ATOM 806 CA LYS A 80 -5.517 7.995 7.457 1.00 0.89 C ATOM 807 C LYS A 80 -6.246 9.263 7.017 1.00 0.81 C ATOM 808 O LYS A 80 -7.473 9.332 7.047 1.00 0.87 O ATOM 809 CB LYS A 80 -4.893 8.157 8.857 1.00 1.12 C ATOM 810 CG LYS A 80 -5.862 8.579 9.957 1.00 1.66 C ATOM 811 CD LYS A 80 -6.000 10.092 10.038 1.00 2.17 C ATOM 812 CE LYS A 80 -6.931 10.514 11.161 1.00 2.87 C ATOM 813 NZ LYS A 80 -7.097 11.991 11.215 1.00 3.48 N ATOM 0 H LYS A 80 -3.531 7.668 6.882 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.253 7.193 7.501 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.433 7.211 9.144 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.093 8.895 8.797 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.840 8.134 9.771 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -5.514 8.194 10.915 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.018 10.539 10.193 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.378 10.474 9.090 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -7.904 10.044 11.022 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -6.537 10.157 12.113 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -6.595 12.367 12.045 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.705 12.416 10.351 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.108 12.224 11.287 1.00 3.48 H new ATOM 827 N GLU A 81 -5.484 10.252 6.582 1.00 0.78 N ATOM 828 CA GLU A 81 -6.054 11.521 6.159 1.00 0.78 C ATOM 829 C GLU A 81 -6.393 11.464 4.676 1.00 0.62 C ATOM 830 O GLU A 81 -7.256 12.194 4.205 1.00 0.64 O ATOM 831 CB GLU A 81 -5.071 12.656 6.443 1.00 0.96 C ATOM 832 CG GLU A 81 -5.741 13.984 6.758 1.00 1.53 C ATOM 833 CD GLU A 81 -6.621 13.905 7.990 1.00 2.31 C ATOM 834 OE1 GLU A 81 -7.837 14.173 7.881 1.00 3.07 O ATOM 835 OE2 GLU A 81 -6.107 13.562 9.074 1.00 2.63 O ATOM 0 H GLU A 81 -4.468 10.201 6.512 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.970 11.710 6.719 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.436 12.372 7.282 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.419 12.784 5.579 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.978 14.747 6.908 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.342 14.297 5.904 1.00 1.53 H new ATOM 842 N GLY A 82 -5.723 10.563 3.964 1.00 0.55 N ATOM 843 CA GLY A 82 -5.945 10.377 2.557 1.00 0.47 C ATOM 844 C GLY A 82 -7.373 9.998 2.247 1.00 0.46 C ATOM 845 O GLY A 82 -7.950 10.424 1.242 1.00 0.49 O ATOM 0 H GLY A 82 -5.013 9.947 4.358 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.692 11.295 2.027 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.277 9.600 2.186 1.00 0.47 H new ATOM 849 N VAL A 83 -7.933 9.180 3.118 1.00 0.51 N ATOM 850 CA VAL A 83 -9.308 8.735 2.981 1.00 0.61 C ATOM 851 C VAL A 83 -10.270 9.891 3.241 1.00 0.70 C ATOM 852 O VAL A 83 -11.153 10.179 2.430 1.00 0.79 O ATOM 853 CB VAL A 83 -9.563 7.762 3.841 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.008 7.290 3.721 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.615 6.593 3.647 1.00 0.69 C ATOM 0 H VAL A 83 -7.451 8.807 3.936 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.446 8.369 1.964 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.411 8.165 4.842 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.190 6.490 4.439 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.681 8.122 3.926 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.187 6.919 2.712 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.850 5.810 4.368 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.724 6.200 2.636 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.589 6.928 3.797 1.00 0.69 H new ATOM 865 N ALA A 84 -10.033 10.592 4.340 1.00 0.76 N ATOM 866 CA ALA A 84 -10.963 11.597 4.831 1.00 0.94 C ATOM 867 C ALA A 84 -10.827 12.897 4.063 1.00 0.88 C ATOM 868 O ALA A 84 -11.753 13.709 4.024 1.00 1.07 O ATOM 869 CB ALA A 84 -10.752 11.831 6.316 1.00 1.12 C ATOM 0 H ALA A 84 -9.196 10.481 4.913 1.00 0.76 H new ATOM 0 HA ALA A 84 -11.975 11.223 4.675 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.455 12.585 6.669 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.917 10.900 6.858 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.733 12.176 6.489 1.00 1.12 H new ATOM 875 N SER A 85 -9.665 13.109 3.471 1.00 0.76 N ATOM 876 CA SER A 85 -9.482 14.251 2.586 1.00 0.84 C ATOM 877 C SER A 85 -10.331 14.057 1.334 1.00 0.94 C ATOM 878 O SER A 85 -10.785 15.018 0.708 1.00 1.22 O ATOM 879 CB SER A 85 -8.007 14.432 2.209 1.00 1.19 C ATOM 880 OG SER A 85 -7.536 13.348 1.425 1.00 1.88 O ATOM 0 H SER A 85 -8.843 12.516 3.583 1.00 0.76 H new ATOM 0 HA SER A 85 -9.800 15.153 3.108 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.883 15.363 1.657 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.406 14.516 3.115 1.00 1.19 H new ATOM 0 HG SER A 85 -7.387 13.650 0.505 1.00 1.88 H new ATOM 886 N GLY A 86 -10.557 12.794 0.990 1.00 0.96 N ATOM 887 CA GLY A 86 -11.382 12.468 -0.149 1.00 1.46 C ATOM 888 C GLY A 86 -10.605 12.526 -1.439 1.00 1.21 C ATOM 889 O GLY A 86 -11.187 12.619 -2.519 1.00 1.66 O ATOM 0 H GLY A 86 -10.178 11.987 1.487 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.800 11.469 -0.021 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.222 13.161 -0.199 1.00 1.46 H new ATOM 893 N ASN A 87 -9.285 12.455 -1.326 1.00 0.66 N ATOM 894 CA ASN A 87 -8.413 12.568 -2.488 1.00 0.67 C ATOM 895 C ASN A 87 -7.018 12.047 -2.182 1.00 0.52 C ATOM 896 O ASN A 87 -6.022 12.754 -2.336 1.00 0.72 O ATOM 897 CB ASN A 87 -8.354 14.022 -2.987 1.00 0.95 C ATOM 898 CG ASN A 87 -8.044 15.029 -1.889 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.306 14.743 -0.943 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.626 16.211 -1.998 1.00 1.72 N ATOM 0 H ASN A 87 -8.795 12.320 -0.442 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.834 11.950 -3.281 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.595 14.100 -3.765 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.309 14.279 -3.446 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.471 16.924 -1.285 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.230 16.410 -2.795 1.00 1.72 H new ATOM 907 N LEU A 88 -6.959 10.806 -1.733 1.00 0.40 N ATOM 908 CA LEU A 88 -5.698 10.147 -1.468 1.00 0.32 C ATOM 909 C LEU A 88 -4.944 9.864 -2.751 1.00 0.30 C ATOM 910 O LEU A 88 -5.045 8.776 -3.308 1.00 0.34 O ATOM 911 CB LEU A 88 -5.936 8.841 -0.730 1.00 0.37 C ATOM 912 CG LEU A 88 -4.867 8.505 0.280 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.281 7.307 1.116 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.521 8.261 -0.381 1.00 0.48 C ATOM 0 H LEU A 88 -7.780 10.232 -1.543 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.098 10.816 -0.852 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.899 8.893 -0.222 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -6.002 8.031 -1.457 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.754 9.367 0.937 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.498 7.080 1.839 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -6.207 7.534 1.644 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.436 6.446 0.466 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.779 8.022 0.381 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.604 7.429 -1.080 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.212 9.157 -0.919 1.00 0.48 H new ATOM 926 N ASN A 89 -4.224 10.846 -3.236 1.00 0.32 N ATOM 927 CA ASN A 89 -3.329 10.635 -4.351 1.00 0.34 C ATOM 928 C ASN A 89 -2.079 11.506 -4.185 1.00 0.40 C ATOM 929 O ASN A 89 -2.085 12.701 -4.480 1.00 0.50 O ATOM 930 CB ASN A 89 -4.069 10.873 -5.688 1.00 0.41 C ATOM 931 CG ASN A 89 -4.474 12.319 -5.948 1.00 1.12 C ATOM 932 OD1 ASN A 89 -4.801 13.074 -5.031 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.459 12.710 -7.212 1.00 1.62 N ATOM 0 H ASN A 89 -4.239 11.801 -2.877 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.992 9.598 -4.369 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.430 10.537 -6.505 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.964 10.251 -5.707 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.724 13.665 -7.454 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.182 12.057 -7.945 1.00 1.62 H new ATOM 940 N THR A 90 -0.998 10.896 -3.690 1.00 0.39 N ATOM 941 CA THR A 90 0.197 11.638 -3.307 1.00 0.50 C ATOM 942 C THR A 90 1.450 10.804 -3.578 1.00 0.55 C ATOM 943 O THR A 90 1.385 9.573 -3.638 1.00 0.69 O ATOM 944 CB THR A 90 0.152 11.969 -2.013 1.00 0.68 C ATOM 945 OG1 THR A 90 -1.131 12.533 -1.691 1.00 1.67 O ATOM 946 CG2 THR A 90 1.232 12.970 -1.628 1.00 1.22 C ATOM 0 H THR A 90 -0.930 9.888 -3.547 1.00 0.39 H new ATOM 0 HA THR A 90 0.236 12.549 -3.904 1.00 0.50 H new ATOM 0 HB THR A 90 0.322 11.051 -1.451 1.00 0.68 H new ATOM 0 HG1 THR A 90 -1.155 12.771 -0.741 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.150 13.204 -0.567 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.214 12.542 -1.830 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.107 13.882 -2.211 1.00 1.22 H new ATOM 954 N MET A 91 2.565 11.476 -3.823 1.00 0.72 N ATOM 955 CA MET A 91 3.854 10.815 -3.971 1.00 1.00 C ATOM 956 C MET A 91 4.854 11.378 -2.973 1.00 0.88 C ATOM 957 O MET A 91 5.030 12.592 -2.870 1.00 0.92 O ATOM 958 CB MET A 91 4.389 10.964 -5.395 1.00 1.53 C ATOM 959 CG MET A 91 4.321 12.388 -5.926 1.00 2.33 C ATOM 960 SD MET A 91 4.942 12.541 -7.611 1.00 3.24 S ATOM 961 CE MET A 91 4.707 14.298 -7.883 1.00 3.94 C ATOM 0 H MET A 91 2.603 12.490 -3.925 1.00 0.72 H new ATOM 0 HA MET A 91 3.713 9.753 -3.771 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.424 10.624 -5.422 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.821 10.311 -6.058 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.288 12.733 -5.893 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.897 13.042 -5.271 1.00 2.33 H new ATOM 0 HE1 MET A 91 5.044 14.559 -8.886 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.650 14.544 -7.780 1.00 3.94 H new ATOM 0 HE3 MET A 91 5.284 14.860 -7.149 1.00 3.94 H new ATOM 971 N PHE A 92 5.504 10.487 -2.245 1.00 0.98 N ATOM 972 CA PHE A 92 6.443 10.875 -1.206 1.00 1.01 C ATOM 973 C PHE A 92 7.517 9.804 -1.056 1.00 0.90 C ATOM 974 O PHE A 92 7.236 8.617 -1.198 1.00 0.85 O ATOM 975 CB PHE A 92 5.693 11.074 0.121 1.00 1.24 C ATOM 976 CG PHE A 92 6.570 11.438 1.288 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.151 12.695 1.367 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.820 10.524 2.299 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.963 13.032 2.434 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.630 10.857 3.369 1.00 2.01 C ATOM 981 CZ PHE A 92 8.181 12.113 3.453 1.00 2.46 C ATOM 0 H PHE A 92 5.397 9.479 -2.356 1.00 0.98 H new ATOM 0 HA PHE A 92 6.923 11.814 -1.482 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.946 11.856 -0.013 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.155 10.157 0.360 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.967 13.418 0.586 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.377 9.540 2.251 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.426 14.007 2.475 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.830 10.128 4.141 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.782 12.385 4.308 1.00 2.46 H new ATOM 991 N GLU A 93 8.747 10.217 -0.800 1.00 0.98 N ATOM 992 CA GLU A 93 9.818 9.265 -0.550 1.00 0.97 C ATOM 993 C GLU A 93 9.985 9.065 0.946 1.00 1.21 C ATOM 994 O GLU A 93 10.327 10.005 1.673 1.00 1.50 O ATOM 995 CB GLU A 93 11.129 9.738 -1.183 1.00 1.18 C ATOM 996 CG GLU A 93 11.098 9.736 -2.701 1.00 1.33 C ATOM 997 CD GLU A 93 12.414 10.161 -3.313 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.349 9.333 -3.352 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.526 11.325 -3.754 1.00 1.92 O ATOM 0 H GLU A 93 9.028 11.197 -0.760 1.00 0.98 H new ATOM 0 HA GLU A 93 9.554 8.312 -1.008 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.351 10.746 -0.832 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.941 9.096 -0.842 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.844 8.736 -3.054 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.309 10.405 -3.045 1.00 1.33 H new ATOM 1006 N TYR A 94 9.751 7.840 1.399 1.00 1.23 N ATOM 1007 CA TYR A 94 9.777 7.532 2.815 1.00 1.60 C ATOM 1008 C TYR A 94 11.015 6.703 3.110 1.00 1.67 C ATOM 1009 O TYR A 94 11.004 5.476 3.031 1.00 1.62 O ATOM 1010 CB TYR A 94 8.497 6.786 3.216 1.00 1.88 C ATOM 1011 CG TYR A 94 8.244 6.723 4.710 1.00 2.23 C ATOM 1012 CD1 TYR A 94 7.486 5.704 5.271 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.782 7.683 5.559 1.00 2.62 C ATOM 1014 CE1 TYR A 94 7.269 5.643 6.634 1.00 3.18 C ATOM 1015 CE2 TYR A 94 8.569 7.630 6.922 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.745 6.608 7.443 1.00 3.51 C ATOM 1017 OH TYR A 94 7.602 6.548 8.813 1.00 4.29 O ATOM 0 H TYR A 94 9.540 7.042 0.799 1.00 1.23 H new ATOM 0 HA TYR A 94 9.818 8.451 3.400 1.00 1.60 H new ATOM 0 HB2 TYR A 94 7.645 7.269 2.737 1.00 1.88 H new ATOM 0 HB3 TYR A 94 8.548 5.769 2.826 1.00 1.88 H new ATOM 0 HD1 TYR A 94 7.059 4.946 4.631 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.377 8.484 5.145 1.00 2.62 H new ATOM 0 HE1 TYR A 94 6.714 4.816 7.053 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.024 8.357 7.578 1.00 3.33 H new ATOM 0 HH TYR A 94 8.014 7.339 9.220 1.00 4.29 H new ATOM 1170 N LYS A 104 14.975 1.950 2.000 1.00 1.52 N ATOM 1171 CA LYS A 104 14.379 3.213 1.610 1.00 1.37 C ATOM 1172 C LYS A 104 13.263 2.919 0.621 1.00 1.18 C ATOM 1173 O LYS A 104 13.472 2.153 -0.323 1.00 1.26 O ATOM 1174 CB LYS A 104 15.417 4.134 0.962 1.00 1.53 C ATOM 1175 CG LYS A 104 14.823 5.430 0.436 1.00 1.64 C ATOM 1176 CD LYS A 104 15.312 5.741 -0.968 1.00 2.24 C ATOM 1177 CE LYS A 104 14.581 6.936 -1.555 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.923 7.157 -2.986 1.00 3.12 N ATOM 0 HA LYS A 104 13.990 3.721 2.493 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.192 4.367 1.692 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.901 3.604 0.141 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.735 5.358 0.435 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.088 6.250 1.104 1.00 1.64 H new ATOM 0 HD2 LYS A 104 16.383 5.942 -0.946 1.00 2.24 H new ATOM 0 HD3 LYS A 104 15.164 4.871 -1.608 1.00 2.24 H new ATOM 0 HE2 LYS A 104 13.506 6.785 -1.459 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.829 7.829 -0.982 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.293 7.881 -3.386 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 15.910 7.477 -3.062 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.806 6.268 -3.512 1.00 3.12 H new ATOM 1192 N VAL A 105 12.081 3.485 0.840 1.00 1.04 N ATOM 1193 CA VAL A 105 10.971 3.269 -0.070 1.00 0.90 C ATOM 1194 C VAL A 105 10.400 4.588 -0.547 1.00 0.72 C ATOM 1195 O VAL A 105 10.699 5.647 0.002 1.00 0.75 O ATOM 1196 CB VAL A 105 9.997 2.534 0.459 1.00 1.00 C ATOM 1197 CG1 VAL A 105 10.451 1.092 0.649 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.494 3.115 1.772 1.00 1.11 C ATOM 0 H VAL A 105 11.871 4.091 1.633 1.00 1.04 H new ATOM 0 HA VAL A 105 11.381 2.714 -0.914 1.00 0.90 H new ATOM 0 HB VAL A 105 9.164 2.548 -0.244 1.00 1.00 H new ATOM 0 HG11 VAL A 105 9.639 0.509 1.083 1.00 1.23 H new ATOM 0 HG12 VAL A 105 10.727 0.667 -0.316 1.00 1.23 H new ATOM 0 HG13 VAL A 105 11.312 1.067 1.316 1.00 1.23 H new ATOM 0 HG21 VAL A 105 8.699 2.483 2.169 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.314 3.159 2.488 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.107 4.120 1.601 1.00 1.11 H new ATOM 1208 N LYS A 106 9.631 4.518 -1.610 1.00 0.64 N ATOM 1209 CA LYS A 106 8.931 5.676 -2.133 1.00 0.59 C ATOM 1210 C LYS A 106 7.507 5.283 -2.467 1.00 0.53 C ATOM 1211 O LYS A 106 7.267 4.183 -2.966 1.00 0.68 O ATOM 1212 CB LYS A 106 9.644 6.224 -3.378 1.00 0.79 C ATOM 1213 CG LYS A 106 9.793 5.200 -4.494 1.00 1.39 C ATOM 1214 CD LYS A 106 10.478 5.782 -5.720 1.00 1.61 C ATOM 1215 CE LYS A 106 9.665 6.910 -6.333 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.262 7.387 -7.604 1.00 2.36 N ATOM 0 H LYS A 106 9.471 3.660 -2.138 1.00 0.64 H new ATOM 0 HA LYS A 106 8.924 6.464 -1.379 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.089 7.083 -3.756 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.632 6.584 -3.092 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.367 4.348 -4.129 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.809 4.824 -4.774 1.00 1.39 H new ATOM 0 HD2 LYS A 106 11.465 6.153 -5.444 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.628 4.997 -6.461 1.00 1.61 H new ATOM 0 HE2 LYS A 106 8.646 6.567 -6.515 1.00 2.08 H new ATOM 0 HE3 LYS A 106 9.601 7.738 -5.627 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 9.681 8.156 -7.993 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 11.225 7.737 -7.425 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.300 6.603 -8.286 1.00 2.36 H new ATOM 1230 N VAL A 107 6.560 6.160 -2.179 1.00 0.47 N ATOM 1231 CA VAL A 107 5.168 5.854 -2.433 1.00 0.49 C ATOM 1232 C VAL A 107 4.559 6.782 -3.451 1.00 0.45 C ATOM 1233 O VAL A 107 4.911 7.959 -3.546 1.00 0.74 O ATOM 1234 CB VAL A 107 4.404 5.874 -1.345 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.568 4.587 -0.548 1.00 0.99 C ATOM 1236 CG2 VAL A 107 4.691 7.085 -0.468 1.00 1.11 C ATOM 0 H VAL A 107 6.730 7.080 -1.773 1.00 0.47 H new ATOM 0 HA VAL A 107 5.189 4.834 -2.818 1.00 0.49 H new ATOM 0 HB VAL A 107 3.369 5.951 -1.679 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.934 4.624 0.338 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.278 3.737 -1.166 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.609 4.477 -0.245 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.044 7.060 0.409 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.734 7.066 -0.151 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.501 7.997 -1.034 1.00 1.11 H new ATOM 1246 N HIS A 108 3.719 6.203 -4.271 1.00 0.30 N ATOM 1247 CA HIS A 108 2.805 6.951 -5.087 1.00 0.31 C ATOM 1248 C HIS A 108 1.441 6.317 -4.919 1.00 0.28 C ATOM 1249 O HIS A 108 1.178 5.237 -5.431 1.00 0.31 O ATOM 1250 CB HIS A 108 3.249 6.938 -6.555 1.00 0.43 C ATOM 1251 CG HIS A 108 2.391 7.771 -7.464 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.243 7.501 -8.806 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.641 8.875 -7.222 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.440 8.396 -9.349 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.062 9.241 -8.411 1.00 0.80 N ATOM 0 H HIS A 108 3.652 5.192 -4.390 1.00 0.30 H new ATOM 0 HA HIS A 108 2.777 7.997 -4.781 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.277 7.295 -6.615 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.248 5.909 -6.914 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.522 9.373 -6.271 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.143 8.430 -10.387 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.440 10.038 -8.547 1.00 0.80 H new ATOM 1264 N MET A 109 0.597 6.974 -4.166 1.00 0.31 N ATOM 1265 CA MET A 109 -0.728 6.459 -3.899 1.00 0.33 C ATOM 1266 C MET A 109 -1.724 7.252 -4.691 1.00 0.37 C ATOM 1267 O MET A 109 -1.500 8.431 -4.954 1.00 0.55 O ATOM 1268 CB MET A 109 -1.054 6.539 -2.407 1.00 0.43 C ATOM 1269 CG MET A 109 -0.135 5.704 -1.530 1.00 0.77 C ATOM 1270 SD MET A 109 -0.675 5.660 0.191 1.00 1.28 S ATOM 1271 CE MET A 109 -2.268 4.858 0.016 1.00 2.22 C ATOM 0 H MET A 109 0.801 7.870 -3.724 1.00 0.31 H new ATOM 0 HA MET A 109 -0.771 5.410 -4.193 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.998 7.580 -2.088 1.00 0.43 H new ATOM 0 HB3 MET A 109 -2.083 6.213 -2.252 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.091 4.687 -1.920 1.00 0.77 H new ATOM 0 HG3 MET A 109 0.876 6.108 -1.580 1.00 0.77 H new ATOM 0 HE1 MET A 109 -3.061 5.573 0.235 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.381 4.492 -1.004 1.00 2.22 H new ATOM 0 HE3 MET A 109 -2.332 4.021 0.711 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.799 6.620 -5.105 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.817 7.335 -5.833 1.00 0.30 C ATOM 1283 C LYS A 110 -5.156 6.671 -5.619 1.00 0.24 C ATOM 1284 O LYS A 110 -5.262 5.450 -5.664 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.473 7.411 -7.328 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.586 6.087 -8.071 1.00 0.64 C ATOM 1287 CD LYS A 110 -3.283 6.244 -9.555 1.00 0.78 C ATOM 1288 CE LYS A 110 -4.133 7.334 -10.202 1.00 1.38 C ATOM 1289 NZ LYS A 110 -5.593 7.123 -9.986 1.00 1.73 N ATOM 0 H LYS A 110 -2.988 5.629 -4.953 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.867 8.357 -5.457 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -4.133 8.137 -7.803 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.456 7.787 -7.435 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.897 5.365 -7.634 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.591 5.685 -7.946 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -2.227 6.482 -9.686 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -3.461 5.296 -10.063 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.845 8.304 -9.796 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.928 7.363 -11.272 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -6.131 7.808 -10.555 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -5.850 6.157 -10.273 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -5.818 7.256 -8.979 1.00 1.73 H new ATOM 1303 N LYS A 111 -6.164 7.472 -5.350 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.502 6.982 -5.261 1.00 0.22 C ATOM 1305 C LYS A 111 -7.882 6.286 -6.561 1.00 0.22 C ATOM 1306 O LYS A 111 -7.916 6.898 -7.632 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.394 8.170 -4.972 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.885 7.883 -5.000 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.669 9.171 -4.816 1.00 0.53 C ATOM 1310 CE LYS A 111 -10.833 9.532 -3.345 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.828 8.664 -2.654 1.00 1.78 N ATOM 0 H LYS A 111 -6.069 8.475 -5.189 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.610 6.245 -4.465 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -8.135 8.568 -3.991 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -8.177 8.952 -5.700 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -10.155 7.416 -5.947 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.142 7.176 -4.211 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.159 9.983 -5.334 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -11.652 9.066 -5.276 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -9.869 9.446 -2.843 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.144 10.573 -3.262 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.655 9.233 -2.382 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.128 7.901 -3.295 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.397 8.251 -1.803 1.00 1.78 H new ATOM 1325 N ALA A 112 -8.115 4.989 -6.445 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.342 4.133 -7.590 1.00 0.26 C ATOM 1327 C ALA A 112 -9.603 4.540 -8.327 1.00 0.38 C ATOM 1328 O ALA A 112 -10.627 4.834 -7.704 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.444 2.684 -7.142 1.00 0.33 C ATOM 0 H ALA A 112 -8.151 4.502 -5.550 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.498 4.239 -8.272 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.615 2.046 -8.009 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.517 2.389 -6.651 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.274 2.577 -6.444 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.535 4.543 -9.649 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.698 4.850 -10.468 1.00 0.64 C ATOM 1337 C LEU A 113 -11.696 3.701 -10.406 1.00 0.76 C ATOM 1338 O LEU A 113 -12.822 3.809 -10.888 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.283 5.133 -11.914 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.351 6.337 -12.090 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.018 6.543 -13.556 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -9.983 7.594 -11.510 1.00 2.39 C ATOM 0 H LEU A 113 -8.688 4.337 -10.178 1.00 0.47 H new ATOM 0 HA LEU A 113 -11.176 5.748 -10.076 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.790 4.248 -12.316 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -11.181 5.296 -12.510 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.427 6.134 -11.549 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.355 7.402 -13.661 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.523 5.653 -13.945 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.936 6.722 -14.116 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -9.306 8.437 -11.645 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -10.923 7.798 -12.022 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -10.173 7.448 -10.447 1.00 2.39 H new ATOM 1354 N SER A 114 -11.265 2.602 -9.798 1.00 0.73 N ATOM 1355 CA SER A 114 -12.134 1.465 -9.548 1.00 0.92 C ATOM 1356 C SER A 114 -13.236 1.853 -8.560 1.00 0.93 C ATOM 1357 O SER A 114 -14.379 1.408 -8.676 1.00 1.27 O ATOM 1358 CB SER A 114 -11.310 0.306 -8.989 1.00 1.04 C ATOM 1359 OG SER A 114 -10.113 0.132 -9.733 1.00 1.66 O ATOM 0 H SER A 114 -10.308 2.477 -9.467 1.00 0.73 H new ATOM 0 HA SER A 114 -12.599 1.155 -10.484 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.069 0.497 -7.943 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.898 -0.611 -9.018 1.00 1.04 H new ATOM 0 HG SER A 114 -9.764 -0.771 -9.584 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.880 2.703 -7.598 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.842 3.171 -6.616 1.00 0.79 C ATOM 1367 C GLY A 115 -13.619 2.552 -5.251 1.00 0.78 C ATOM 1368 O GLY A 115 -13.303 1.364 -5.150 1.00 1.52 O ATOM 0 H GLY A 115 -11.938 3.076 -7.482 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.777 4.256 -6.535 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.850 2.937 -6.958 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.769 3.374 -4.208 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.570 2.956 -2.812 1.00 0.85 C ATOM 1374 C ASP A 116 -12.278 2.179 -2.627 1.00 0.80 C ATOM 1375 O ASP A 116 -12.233 1.165 -1.931 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.764 2.148 -2.298 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.788 3.029 -1.617 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.726 3.181 -0.379 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.676 3.559 -2.318 1.00 2.79 O ATOM 0 H ASP A 116 -14.033 4.354 -4.306 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.492 3.867 -2.219 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.233 1.623 -3.130 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.415 1.389 -1.598 1.00 1.25 H new ATOM 1384 N SER A 117 -11.224 2.691 -3.227 1.00 0.42 N ATOM 1385 CA SER A 117 -9.925 2.058 -3.182 1.00 0.29 C ATOM 1386 C SER A 117 -8.831 3.071 -3.486 1.00 0.22 C ATOM 1387 O SER A 117 -9.087 4.117 -4.085 1.00 0.25 O ATOM 1388 CB SER A 117 -9.883 0.895 -4.164 1.00 0.34 C ATOM 1389 OG SER A 117 -10.570 1.205 -5.365 1.00 0.44 O ATOM 0 H SER A 117 -11.245 3.560 -3.761 1.00 0.42 H new ATOM 0 HA SER A 117 -9.751 1.669 -2.179 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.846 0.646 -4.390 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.330 0.013 -3.705 1.00 0.34 H new ATOM 0 HG SER A 117 -11.537 1.160 -5.210 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.626 2.773 -3.035 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.472 3.631 -3.265 1.00 0.19 C ATOM 1397 C TYR A 118 -5.259 2.772 -3.590 1.00 0.20 C ATOM 1398 O TYR A 118 -5.041 1.737 -2.962 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.176 4.490 -2.029 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.376 5.205 -1.477 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.083 4.674 -0.418 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.793 6.410 -2.012 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.179 5.328 0.105 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.892 7.074 -1.501 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.600 6.521 -0.474 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.664 7.184 0.090 1.00 0.42 O ATOM 0 H TYR A 118 -7.417 1.931 -2.499 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.693 4.294 -4.102 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.755 3.854 -1.250 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.414 5.226 -2.285 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.773 3.731 0.008 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.251 6.839 -2.842 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.705 4.918 0.955 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.189 8.027 -1.913 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.519 8.151 0.024 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.479 3.180 -4.575 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.312 2.427 -4.954 1.00 0.22 C ATOM 1418 C TRP A 119 -2.131 2.774 -4.084 1.00 0.25 C ATOM 1419 O TRP A 119 -2.103 3.815 -3.432 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.929 2.706 -6.396 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.851 2.113 -7.398 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.137 2.474 -7.657 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.536 1.054 -8.287 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.653 1.669 -8.653 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.679 0.791 -9.055 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.386 0.297 -8.501 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.702 -0.208 -10.025 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.406 -0.682 -9.453 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.557 -0.935 -10.210 1.00 0.42 C ATOM 0 H TRP A 119 -4.637 4.027 -5.121 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.565 1.374 -4.831 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.891 3.785 -6.548 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.924 2.324 -6.573 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.673 3.269 -7.159 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.600 1.719 -9.027 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.493 0.482 -7.923 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.590 -0.402 -10.609 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.518 -1.272 -9.625 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.541 -1.718 -10.953 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.161 1.888 -4.106 1.00 0.28 N ATOM 1441 CA VAL A 120 0.097 2.067 -3.411 1.00 0.32 C ATOM 1442 C VAL A 120 1.233 1.607 -4.318 1.00 0.34 C ATOM 1443 O VAL A 120 1.552 0.417 -4.388 1.00 0.43 O ATOM 1444 CB VAL A 120 0.141 1.360 -2.286 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.465 1.578 -1.555 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.025 1.672 -1.359 1.00 0.62 C ATOM 0 H VAL A 120 -1.224 1.007 -4.616 1.00 0.28 H new ATOM 0 HA VAL A 120 0.197 3.123 -3.159 1.00 0.32 H new ATOM 0 HB VAL A 120 0.061 0.312 -2.574 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.476 0.989 -0.638 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.290 1.267 -2.196 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.575 2.634 -1.309 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.943 1.069 -0.455 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -1.006 2.729 -1.093 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.963 1.442 -1.864 1.00 0.62 H new ATOM 1456 N PHE A 121 1.839 2.541 -5.022 1.00 0.34 N ATOM 1457 CA PHE A 121 3.034 2.234 -5.785 1.00 0.42 C ATOM 1458 C PHE A 121 4.244 2.472 -4.898 1.00 0.40 C ATOM 1459 O PHE A 121 4.638 3.618 -4.672 1.00 0.49 O ATOM 1460 CB PHE A 121 3.139 3.102 -7.045 1.00 0.61 C ATOM 1461 CG PHE A 121 1.988 2.956 -8.007 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.893 3.797 -7.925 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.996 1.973 -8.984 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.171 3.662 -8.799 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.938 1.833 -9.860 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.123 2.697 -9.798 1.00 1.45 C ATOM 0 H PHE A 121 1.528 3.511 -5.083 1.00 0.34 H new ATOM 0 HA PHE A 121 2.988 1.193 -6.106 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.214 4.147 -6.745 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.064 2.853 -7.565 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.868 4.568 -7.170 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.842 1.307 -9.061 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.035 4.303 -8.705 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.947 1.042 -10.595 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.920 2.629 -10.523 1.00 1.45 H new ATOM 1476 N VAL A 122 4.807 1.402 -4.367 1.00 0.49 N ATOM 1477 CA VAL A 122 5.945 1.510 -3.475 1.00 0.61 C ATOM 1478 C VAL A 122 7.166 0.825 -4.082 1.00 0.73 C ATOM 1479 O VAL A 122 7.060 -0.255 -4.659 1.00 0.95 O ATOM 1480 CB VAL A 122 5.667 1.029 -2.261 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.239 -0.438 -2.322 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.831 1.223 -1.300 1.00 1.52 C ATOM 0 H VAL A 122 4.493 0.447 -4.539 1.00 0.49 H new ATOM 0 HA VAL A 122 6.176 2.568 -3.351 1.00 0.61 H new ATOM 0 HB VAL A 122 4.824 1.602 -1.875 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.021 -0.795 -1.316 1.00 1.61 H new ATOM 0 HG12 VAL A 122 4.347 -0.531 -2.942 1.00 1.61 H new ATOM 0 HG13 VAL A 122 6.044 -1.034 -2.752 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.567 0.819 -0.323 1.00 1.52 H new ATOM 0 HG22 VAL A 122 7.709 0.703 -1.682 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.052 2.286 -1.206 1.00 1.52 H new ATOM 1492 N LYS A 123 8.306 1.498 -4.027 1.00 0.76 N ATOM 1493 CA LYS A 123 9.522 0.991 -4.636 1.00 0.97 C ATOM 1494 C LYS A 123 10.715 1.331 -3.763 1.00 1.04 C ATOM 1495 O LYS A 123 10.745 2.385 -3.128 1.00 1.02 O ATOM 1496 CB LYS A 123 9.699 1.574 -6.047 1.00 1.11 C ATOM 1497 CG LYS A 123 8.601 1.163 -7.018 1.00 1.66 C ATOM 1498 CD LYS A 123 8.726 1.875 -8.354 1.00 2.03 C ATOM 1499 CE LYS A 123 7.574 1.518 -9.282 1.00 2.74 C ATOM 1500 NZ LYS A 123 7.595 0.082 -9.677 1.00 3.45 N ATOM 0 H LYS A 123 8.412 2.401 -3.564 1.00 0.76 H new ATOM 0 HA LYS A 123 9.449 -0.093 -4.724 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.726 2.662 -5.981 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.662 1.255 -6.445 1.00 1.11 H new ATOM 0 HG2 LYS A 123 8.642 0.085 -7.176 1.00 1.66 H new ATOM 0 HG3 LYS A 123 7.628 1.384 -6.579 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.745 2.953 -8.193 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.672 1.606 -8.825 1.00 2.03 H new ATOM 0 HE2 LYS A 123 6.629 1.744 -8.789 1.00 2.74 H new ATOM 0 HE3 LYS A 123 7.623 2.140 -10.176 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 6.867 -0.090 -10.399 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 8.530 -0.158 -10.064 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 7.403 -0.510 -8.844 1.00 3.45 H new