USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 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= -0.272 K(o=-0.27,f=-7.4!) 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 180:sc= -0.715 USER MOD Single : A 43 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0265 (180deg=-0.247) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.839 (180deg=0.743) USER MOD Single : A 61 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.014) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 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 95 THR OG1 : rot 180:sc= -0.0884 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.935 K(o=0.93,f=-0.77) USER MOD Single : A 100 MET CE :methyl 166:sc= -0.0781 (180deg=-0.397) USER MOD Single : A 101 THR OG1 : rot 78:sc= 0.746 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 2.54 (180deg=2.3) 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+ 180:sc= 0.435 (180deg=0.435) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 10.962 -8.039 -13.834 1.00 8.65 N ATOM 2 CA LEU A 26 10.856 -8.153 -12.361 1.00 7.71 C ATOM 3 C LEU A 26 10.689 -6.789 -11.699 1.00 6.76 C ATOM 4 O LEU A 26 11.048 -6.601 -10.537 1.00 6.84 O ATOM 5 CB LEU A 26 12.076 -8.903 -11.796 1.00 7.84 C ATOM 6 CG LEU A 26 13.445 -8.517 -12.381 1.00 8.33 C ATOM 7 CD1 LEU A 26 13.864 -7.119 -11.949 1.00 8.50 C ATOM 8 CD2 LEU A 26 14.498 -9.537 -11.972 1.00 8.72 C ATOM 0 HA LEU A 26 9.959 -8.728 -12.131 1.00 7.71 H new ATOM 0 HB2 LEU A 26 12.107 -8.743 -10.718 1.00 7.84 H new ATOM 0 HB3 LEU A 26 11.925 -9.971 -11.955 1.00 7.84 H new ATOM 0 HG LEU A 26 13.355 -8.514 -13.467 1.00 8.33 H new ATOM 0 HD11 LEU A 26 14.836 -6.881 -12.381 1.00 8.50 H new ATOM 0 HD12 LEU A 26 13.126 -6.395 -12.294 1.00 8.50 H new ATOM 0 HD13 LEU A 26 13.931 -7.079 -10.862 1.00 8.50 H new ATOM 0 HD21 LEU A 26 15.463 -9.253 -12.392 1.00 8.72 H new ATOM 0 HD22 LEU A 26 14.571 -9.569 -10.885 1.00 8.72 H new ATOM 0 HD23 LEU A 26 14.216 -10.521 -12.345 1.00 8.72 H new ATOM 20 N ALA A 27 10.117 -5.846 -12.428 1.00 6.18 N ATOM 21 CA ALA A 27 9.901 -4.507 -11.897 1.00 5.48 C ATOM 22 C ALA A 27 8.542 -4.417 -11.210 1.00 4.38 C ATOM 23 O ALA A 27 7.522 -4.160 -11.852 1.00 4.57 O ATOM 24 CB ALA A 27 10.021 -3.461 -13.001 1.00 6.04 C ATOM 0 H ALA A 27 9.794 -5.980 -13.386 1.00 6.18 H new ATOM 0 HA ALA A 27 10.673 -4.304 -11.155 1.00 5.48 H new ATOM 0 HB1 ALA A 27 9.856 -2.469 -12.581 1.00 6.04 H new ATOM 0 HB2 ALA A 27 11.018 -3.508 -13.440 1.00 6.04 H new ATOM 0 HB3 ALA A 27 9.275 -3.658 -13.771 1.00 6.04 H new ATOM 30 N PHE A 28 8.529 -4.666 -9.912 1.00 3.64 N ATOM 31 CA PHE A 28 7.294 -4.632 -9.144 1.00 2.91 C ATOM 32 C PHE A 28 7.195 -3.344 -8.328 1.00 1.94 C ATOM 33 O PHE A 28 8.001 -2.426 -8.501 1.00 2.30 O ATOM 34 CB PHE A 28 7.194 -5.867 -8.237 1.00 3.48 C ATOM 35 CG PHE A 28 8.417 -6.131 -7.398 1.00 4.19 C ATOM 36 CD1 PHE A 28 9.402 -6.999 -7.844 1.00 4.76 C ATOM 37 CD2 PHE A 28 8.576 -5.522 -6.164 1.00 4.70 C ATOM 38 CE1 PHE A 28 10.523 -7.251 -7.077 1.00 5.72 C ATOM 39 CE2 PHE A 28 9.695 -5.771 -5.393 1.00 5.68 C ATOM 40 CZ PHE A 28 10.670 -6.636 -5.850 1.00 6.15 C ATOM 0 H PHE A 28 9.360 -4.894 -9.366 1.00 3.64 H new ATOM 0 HA PHE A 28 6.455 -4.650 -9.840 1.00 2.91 H new ATOM 0 HB2 PHE A 28 6.335 -5.747 -7.576 1.00 3.48 H new ATOM 0 HB3 PHE A 28 6.999 -6.742 -8.857 1.00 3.48 H new ATOM 0 HD1 PHE A 28 9.292 -7.484 -8.803 1.00 4.76 H new ATOM 0 HD2 PHE A 28 7.817 -4.845 -5.801 1.00 4.70 H new ATOM 0 HE1 PHE A 28 11.283 -7.928 -7.437 1.00 5.72 H new ATOM 0 HE2 PHE A 28 9.807 -5.289 -4.433 1.00 5.68 H new ATOM 0 HZ PHE A 28 11.546 -6.831 -5.249 1.00 6.15 H new 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 H GLY A 29 5.550 -4.037 -7.262 1.00 1.43 H new 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 5.078 -4.643 -5.143 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 264 N ALA A 44 2.935 -6.570 -11.233 1.00 1.13 N ATOM 265 CA ALA A 44 4.379 -6.696 -11.358 1.00 1.36 C ATOM 266 C ALA A 44 4.771 -6.804 -12.825 1.00 1.78 C ATOM 267 O ALA A 44 3.969 -7.231 -13.658 1.00 2.50 O ATOM 268 CB ALA A 44 4.880 -7.908 -10.583 1.00 2.05 C ATOM 0 H ALA A 44 2.406 -7.158 -11.878 1.00 1.13 H new ATOM 0 HA ALA A 44 4.843 -5.805 -10.936 1.00 1.36 H new ATOM 0 HB1 ALA A 44 5.962 -7.986 -10.689 1.00 2.05 H new ATOM 0 HB2 ALA A 44 4.625 -7.797 -9.529 1.00 2.05 H new ATOM 0 HB3 ALA A 44 4.412 -8.810 -10.976 1.00 2.05 H new ATOM 274 N ALA A 45 5.986 -6.393 -13.151 1.00 2.22 N ATOM 275 CA ALA A 45 6.467 -6.486 -14.520 1.00 3.09 C ATOM 276 C ALA A 45 7.196 -7.803 -14.748 1.00 3.52 C ATOM 277 O ALA A 45 8.392 -7.910 -14.481 1.00 3.90 O ATOM 278 CB ALA A 45 7.371 -5.311 -14.861 1.00 4.00 C ATOM 0 H ALA A 45 6.654 -5.994 -12.491 1.00 2.22 H new ATOM 0 HA ALA A 45 5.602 -6.453 -15.182 1.00 3.09 H new ATOM 0 HB1 ALA A 45 7.717 -5.405 -15.890 1.00 4.00 H new ATOM 0 HB2 ALA A 45 6.816 -4.380 -14.748 1.00 4.00 H new ATOM 0 HB3 ALA A 45 8.229 -5.305 -14.189 1.00 4.00 H new ATOM 284 N GLU A 46 6.446 -8.794 -15.226 1.00 4.02 N ATOM 285 CA GLU A 46 6.960 -10.134 -15.518 1.00 4.87 C ATOM 286 C GLU A 46 7.366 -10.868 -14.242 1.00 5.45 C ATOM 287 O GLU A 46 8.425 -10.611 -13.661 1.00 5.90 O ATOM 288 CB GLU A 46 8.128 -10.095 -16.507 1.00 5.61 C ATOM 289 CG GLU A 46 8.431 -11.450 -17.125 1.00 5.96 C ATOM 290 CD GLU A 46 7.263 -11.990 -17.930 1.00 6.73 C ATOM 291 OE1 GLU A 46 6.288 -12.484 -17.319 1.00 7.09 O ATOM 292 OE2 GLU A 46 7.309 -11.914 -19.178 1.00 7.21 O ATOM 0 H GLU A 46 5.451 -8.689 -15.425 1.00 4.02 H new ATOM 0 HA GLU A 46 6.145 -10.687 -15.986 1.00 4.87 H new ATOM 0 HB2 GLU A 46 7.901 -9.383 -17.300 1.00 5.61 H new ATOM 0 HB3 GLU A 46 9.018 -9.729 -15.995 1.00 5.61 H new ATOM 0 HG2 GLU A 46 9.306 -11.365 -17.770 1.00 5.96 H new ATOM 0 HG3 GLU A 46 8.684 -12.158 -16.336 1.00 5.96 H new ATOM 299 N GLY A 47 6.516 -11.790 -13.822 1.00 5.76 N ATOM 300 CA GLY A 47 6.756 -12.539 -12.608 1.00 6.54 C ATOM 301 C GLY A 47 5.490 -12.700 -11.797 1.00 6.69 C ATOM 302 O GLY A 47 5.523 -12.691 -10.564 1.00 6.97 O ATOM 0 H GLY A 47 5.653 -12.035 -14.307 1.00 5.76 H new ATOM 0 HA2 GLY A 47 7.156 -13.521 -12.858 1.00 6.54 H new ATOM 0 HA3 GLY A 47 7.511 -12.030 -12.009 1.00 6.54 H new ATOM 306 N ASP A 48 4.373 -12.861 -12.495 1.00 6.81 N ATOM 307 CA ASP A 48 3.065 -12.956 -11.858 1.00 7.22 C ATOM 308 C ASP A 48 2.892 -14.324 -11.222 1.00 7.49 C ATOM 309 O ASP A 48 2.581 -15.291 -11.918 1.00 7.74 O ATOM 310 CB ASP A 48 1.944 -12.724 -12.879 1.00 7.72 C ATOM 311 CG ASP A 48 2.031 -11.374 -13.559 1.00 8.18 C ATOM 312 OD1 ASP A 48 2.898 -11.206 -14.444 1.00 8.38 O ATOM 313 OD2 ASP A 48 1.214 -10.485 -13.243 1.00 8.59 O ATOM 0 H ASP A 48 4.347 -12.929 -13.512 1.00 6.81 H new ATOM 0 HA ASP A 48 3.006 -12.186 -11.089 1.00 7.22 H new ATOM 0 HB2 ASP A 48 1.981 -13.508 -13.635 1.00 7.72 H new ATOM 0 HB3 ASP A 48 0.980 -12.810 -12.377 1.00 7.72 H new ATOM 318 N ILE A 49 3.123 -14.385 -9.898 1.00 7.75 N ATOM 319 CA ILE A 49 3.041 -15.621 -9.096 1.00 8.31 C ATOM 320 C ILE A 49 3.483 -16.863 -9.872 1.00 8.64 C ATOM 321 O ILE A 49 2.811 -17.896 -9.870 1.00 9.15 O ATOM 322 CB ILE A 49 1.837 -15.817 -8.552 1.00 8.70 C ATOM 323 CG1 ILE A 49 0.704 -15.797 -9.589 1.00 8.59 C ATOM 324 CG2 ILE A 49 1.594 -14.777 -7.465 1.00 9.24 C ATOM 325 CD1 ILE A 49 -0.662 -16.098 -9.006 1.00 9.12 C ATOM 0 H ILE A 49 3.376 -13.565 -9.346 1.00 7.75 H new ATOM 0 HA ILE A 49 3.747 -15.467 -8.280 1.00 8.31 H new ATOM 0 HB ILE A 49 1.832 -16.815 -8.115 1.00 8.70 H new ATOM 0 HG12 ILE A 49 0.678 -14.817 -10.066 1.00 8.59 H new ATOM 0 HG13 ILE A 49 0.925 -16.526 -10.369 1.00 8.59 H new ATOM 0 HG21 ILE A 49 0.611 -14.937 -7.021 1.00 9.24 H new ATOM 0 HG22 ILE A 49 2.360 -14.870 -6.695 1.00 9.24 H new ATOM 0 HG23 ILE A 49 1.637 -13.779 -7.900 1.00 9.24 H new ATOM 0 HD11 ILE A 49 -1.411 -16.066 -9.798 1.00 9.12 H new ATOM 0 HD12 ILE A 49 -0.654 -17.090 -8.554 1.00 9.12 H new ATOM 0 HD13 ILE A 49 -0.905 -15.355 -8.246 1.00 9.12 H new ATOM 337 N THR A 50 4.626 -16.750 -10.533 1.00 8.56 N ATOM 338 CA THR A 50 5.159 -17.833 -11.340 1.00 9.03 C ATOM 339 C THR A 50 6.138 -18.679 -10.525 1.00 9.23 C ATOM 340 O THR A 50 7.355 -18.472 -10.570 1.00 9.50 O ATOM 341 CB THR A 50 5.766 -17.350 -12.409 1.00 9.31 C ATOM 342 OG1 THR A 50 4.943 -16.330 -13.002 1.00 9.41 O ATOM 343 CG2 THR A 50 6.041 -18.440 -13.436 1.00 9.82 C ATOM 0 H THR A 50 5.205 -15.910 -10.524 1.00 8.56 H new ATOM 0 HA THR A 50 4.329 -18.465 -11.656 1.00 9.03 H new ATOM 0 HB THR A 50 6.723 -16.931 -12.097 1.00 9.31 H new ATOM 0 HG1 THR A 50 5.391 -15.968 -13.795 1.00 9.41 H new ATOM 0 HG21 THR A 50 6.541 -18.006 -14.302 1.00 9.82 H new ATOM 0 HG22 THR A 50 6.680 -19.204 -12.993 1.00 9.82 H new ATOM 0 HG23 THR A 50 5.099 -18.891 -13.749 1.00 9.82 H new ATOM 351 N GLY A 51 5.601 -19.636 -9.786 1.00 9.30 N ATOM 352 CA GLY A 51 6.428 -20.504 -8.981 1.00 9.62 C ATOM 353 C GLY A 51 5.904 -20.628 -7.570 1.00 9.32 C ATOM 354 O GLY A 51 5.256 -21.614 -7.225 1.00 9.37 O ATOM 0 H GLY A 51 4.601 -19.827 -9.730 1.00 9.30 H new ATOM 0 HA2 GLY A 51 6.473 -21.492 -9.440 1.00 9.62 H new ATOM 0 HA3 GLY A 51 7.447 -20.117 -8.958 1.00 9.62 H new ATOM 358 N ARG A 52 6.188 -19.622 -6.753 1.00 9.21 N ATOM 359 CA ARG A 52 5.756 -19.602 -5.363 1.00 9.00 C ATOM 360 C ARG A 52 5.420 -18.172 -4.966 1.00 8.48 C ATOM 361 O ARG A 52 5.912 -17.229 -5.586 1.00 8.73 O ATOM 362 CB ARG A 52 6.871 -20.135 -4.453 1.00 9.54 C ATOM 363 CG ARG A 52 7.503 -21.427 -4.947 1.00 10.23 C ATOM 364 CD ARG A 52 8.708 -21.827 -4.117 1.00 10.92 C ATOM 365 NE ARG A 52 9.685 -22.558 -4.924 1.00 11.43 N ATOM 366 CZ ARG A 52 10.000 -23.842 -4.760 1.00 12.12 C ATOM 367 NH1 ARG A 52 9.408 -24.568 -3.820 1.00 12.40 N ATOM 368 NH2 ARG A 52 10.903 -24.403 -5.555 1.00 12.72 N ATOM 0 H ARG A 52 6.722 -18.800 -7.035 1.00 9.21 H new ATOM 0 HA ARG A 52 4.877 -20.236 -5.252 1.00 9.00 H new ATOM 0 HB2 ARG A 52 7.646 -19.374 -4.361 1.00 9.54 H new ATOM 0 HB3 ARG A 52 6.465 -20.299 -3.455 1.00 9.54 H new ATOM 0 HG2 ARG A 52 6.762 -22.226 -4.919 1.00 10.23 H new ATOM 0 HG3 ARG A 52 7.804 -21.308 -5.988 1.00 10.23 H new ATOM 0 HD2 ARG A 52 9.174 -20.937 -3.695 1.00 10.92 H new ATOM 0 HD3 ARG A 52 8.387 -22.447 -3.280 1.00 10.92 H new ATOM 0 HE ARG A 52 10.160 -22.047 -5.668 1.00 11.43 H new ATOM 0 HH11 ARG A 52 8.705 -24.144 -3.215 1.00 12.40 H new ATOM 0 HH12 ARG A 52 9.656 -25.550 -3.702 1.00 12.40 H new ATOM 0 HH21 ARG A 52 11.351 -23.851 -6.286 1.00 12.72 H new ATOM 0 HH22 ARG A 52 11.148 -25.386 -5.434 1.00 12.72 H new ATOM 382 N ASP A 53 4.582 -18.002 -3.955 1.00 7.97 N ATOM 383 CA ASP A 53 4.287 -16.669 -3.443 1.00 7.57 C ATOM 384 C ASP A 53 5.033 -16.428 -2.134 1.00 7.11 C ATOM 385 O ASP A 53 4.714 -17.008 -1.095 1.00 6.96 O ATOM 386 CB ASP A 53 2.771 -16.432 -3.278 1.00 7.63 C ATOM 387 CG ASP A 53 2.087 -17.376 -2.301 1.00 7.90 C ATOM 388 OD1 ASP A 53 1.867 -16.986 -1.136 1.00 8.01 O ATOM 389 OD2 ASP A 53 1.736 -18.503 -2.703 1.00 8.24 O ATOM 0 H ASP A 53 4.097 -18.761 -3.476 1.00 7.97 H new ATOM 0 HA ASP A 53 4.636 -15.946 -4.180 1.00 7.57 H new ATOM 0 HB2 ASP A 53 2.611 -15.407 -2.945 1.00 7.63 H new ATOM 0 HB3 ASP A 53 2.293 -16.529 -4.253 1.00 7.63 H new ATOM 394 N PRO A 54 6.082 -15.597 -2.182 1.00 7.19 N ATOM 395 CA PRO A 54 6.890 -15.280 -1.005 1.00 7.04 C ATOM 396 C PRO A 54 6.218 -14.249 -0.103 1.00 6.40 C ATOM 397 O PRO A 54 6.415 -14.245 1.112 1.00 6.42 O ATOM 398 CB PRO A 54 8.173 -14.714 -1.612 1.00 7.72 C ATOM 399 CG PRO A 54 7.749 -14.104 -2.905 1.00 8.11 C ATOM 400 CD PRO A 54 6.576 -14.914 -3.396 1.00 7.77 C ATOM 0 HA PRO A 54 7.050 -16.148 -0.366 1.00 7.04 H new ATOM 0 HB2 PRO A 54 8.627 -13.972 -0.955 1.00 7.72 H new ATOM 0 HB3 PRO A 54 8.915 -15.497 -1.769 1.00 7.72 H new ATOM 0 HG2 PRO A 54 7.469 -13.060 -2.768 1.00 8.11 H new ATOM 0 HG3 PRO A 54 8.564 -14.123 -3.629 1.00 8.11 H new ATOM 0 HD2 PRO A 54 5.808 -14.278 -3.837 1.00 7.77 H new ATOM 0 HD3 PRO A 54 6.877 -15.629 -4.162 1.00 7.77 H new ATOM 408 N LYS A 55 5.417 -13.385 -0.707 1.00 6.12 N ATOM 409 CA LYS A 55 4.721 -12.336 0.020 1.00 5.80 C ATOM 410 C LYS A 55 3.238 -12.386 -0.303 1.00 5.33 C ATOM 411 O LYS A 55 2.833 -12.117 -1.434 1.00 5.67 O ATOM 412 CB LYS A 55 5.281 -10.959 -0.347 1.00 6.46 C ATOM 413 CG LYS A 55 6.771 -10.811 -0.090 1.00 7.19 C ATOM 414 CD LYS A 55 7.260 -9.422 -0.460 1.00 8.01 C ATOM 415 CE LYS A 55 8.753 -9.265 -0.217 1.00 8.64 C ATOM 416 NZ LYS A 55 9.119 -9.516 1.201 1.00 9.24 N ATOM 0 H LYS A 55 5.232 -13.391 -1.710 1.00 6.12 H new ATOM 0 HA LYS A 55 4.869 -12.498 1.088 1.00 5.80 H new ATOM 0 HB2 LYS A 55 5.083 -10.767 -1.402 1.00 6.46 H new ATOM 0 HB3 LYS A 55 4.747 -10.197 0.221 1.00 6.46 H new ATOM 0 HG2 LYS A 55 6.982 -11.005 0.962 1.00 7.19 H new ATOM 0 HG3 LYS A 55 7.317 -11.557 -0.667 1.00 7.19 H new ATOM 0 HD2 LYS A 55 7.040 -9.227 -1.510 1.00 8.01 H new ATOM 0 HD3 LYS A 55 6.717 -8.678 0.123 1.00 8.01 H new ATOM 0 HE2 LYS A 55 9.299 -9.956 -0.859 1.00 8.64 H new ATOM 0 HE3 LYS A 55 9.061 -8.258 -0.498 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 10.091 -9.189 1.372 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 8.466 -9.000 1.825 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 9.057 -10.535 1.401 1.00 9.24 H new ATOM 430 N GLN A 56 2.431 -12.724 0.684 1.00 4.97 N ATOM 431 CA GLN A 56 1.000 -12.843 0.481 1.00 4.93 C ATOM 432 C GLN A 56 0.290 -11.669 1.141 1.00 4.31 C ATOM 433 O GLN A 56 -0.709 -11.830 1.843 1.00 4.54 O ATOM 434 CB GLN A 56 0.483 -14.174 1.028 1.00 5.58 C ATOM 435 CG GLN A 56 -0.912 -14.527 0.533 1.00 6.20 C ATOM 436 CD GLN A 56 -1.406 -15.862 1.050 1.00 6.94 C ATOM 437 OE1 GLN A 56 -2.034 -15.940 2.106 1.00 7.39 O ATOM 438 NE2 GLN A 56 -1.121 -16.922 0.312 1.00 7.40 N ATOM 0 H GLN A 56 2.742 -12.921 1.635 1.00 4.97 H new ATOM 0 HA GLN A 56 0.791 -12.823 -0.589 1.00 4.93 H new ATOM 0 HB2 GLN A 56 1.173 -14.968 0.744 1.00 5.58 H new ATOM 0 HB3 GLN A 56 0.475 -14.133 2.117 1.00 5.58 H new ATOM 0 HG2 GLN A 56 -1.608 -13.746 0.839 1.00 6.20 H new ATOM 0 HG3 GLN A 56 -0.911 -14.544 -0.557 1.00 6.20 H new ATOM 0 HE21 GLN A 56 -0.598 -16.813 -0.557 1.00 7.40 H new ATOM 0 HE22 GLN A 56 -1.424 -17.849 0.612 1.00 7.40 H new ATOM 447 N VAL A 57 0.846 -10.483 0.936 1.00 3.91 N ATOM 448 CA VAL A 57 0.183 -9.248 1.343 1.00 3.65 C ATOM 449 C VAL A 57 -1.134 -9.093 0.584 1.00 2.70 C ATOM 450 O VAL A 57 -2.140 -8.653 1.141 1.00 3.03 O ATOM 451 CB VAL A 57 0.947 -8.164 1.168 1.00 4.38 C ATOM 452 CG1 VAL A 57 2.122 -8.181 2.139 1.00 5.06 C ATOM 453 CG2 VAL A 57 1.447 -8.004 -0.267 1.00 4.94 C ATOM 0 H VAL A 57 1.754 -10.348 0.491 1.00 3.91 H new ATOM 0 HA VAL A 57 -0.010 -9.326 2.413 1.00 3.65 H new ATOM 0 HB VAL A 57 0.313 -7.302 1.374 1.00 4.38 H new ATOM 0 HG11 VAL A 57 2.735 -7.293 1.985 1.00 5.06 H new ATOM 0 HG12 VAL A 57 1.748 -8.190 3.163 1.00 5.06 H new ATOM 0 HG13 VAL A 57 2.725 -9.072 1.965 1.00 5.06 H new ATOM 0 HG21 VAL A 57 2.060 -7.106 -0.341 1.00 4.94 H new ATOM 0 HG22 VAL A 57 2.043 -8.874 -0.544 1.00 4.94 H new ATOM 0 HG23 VAL A 57 0.595 -7.918 -0.942 1.00 4.94 H new ATOM 463 N ILE A 58 -1.134 -9.526 -0.674 1.00 2.02 N ATOM 464 CA ILE A 58 -2.344 -9.558 -1.474 1.00 1.38 C ATOM 465 C ILE A 58 -3.245 -10.698 -1.001 1.00 1.46 C ATOM 466 O ILE A 58 -2.768 -11.714 -0.492 1.00 1.83 O ATOM 467 CB ILE A 58 -2.070 -9.670 -2.779 1.00 1.94 C ATOM 468 CG1 ILE A 58 -3.338 -9.566 -3.635 1.00 2.47 C ATOM 469 CG2 ILE A 58 -1.319 -10.971 -3.079 1.00 2.66 C ATOM 470 CD1 ILE A 58 -3.092 -9.719 -5.122 1.00 3.17 C ATOM 0 H ILE A 58 -0.301 -9.860 -1.159 1.00 2.02 H new ATOM 0 HA ILE A 58 -2.870 -8.613 -1.340 1.00 1.38 H new ATOM 0 HB ILE A 58 -1.422 -8.835 -3.044 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -4.045 -10.331 -3.314 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -3.809 -8.600 -3.453 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -1.111 -11.033 -4.147 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -0.380 -10.985 -2.525 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -1.931 -11.822 -2.779 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -4.037 -9.633 -5.658 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -2.411 -8.938 -5.460 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -2.651 -10.696 -5.319 1.00 3.17 H new ATOM 482 N GLY A 59 -4.546 -10.491 -1.095 1.00 1.92 N ATOM 483 CA GLY A 59 -5.482 -11.484 -0.620 1.00 2.81 C ATOM 484 C GLY A 59 -6.042 -11.121 0.734 1.00 2.70 C ATOM 485 O GLY A 59 -6.876 -11.841 1.284 1.00 3.24 O ATOM 0 H GLY A 59 -4.971 -9.653 -1.492 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -6.298 -11.587 -1.336 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -4.986 -12.453 -0.561 1.00 2.81 H new ATOM 489 N LYS A 60 -5.586 -9.996 1.275 1.00 2.08 N ATOM 490 CA LYS A 60 -6.087 -9.507 2.549 1.00 2.08 C ATOM 491 C LYS A 60 -7.525 -9.039 2.398 1.00 2.02 C ATOM 492 O LYS A 60 -7.781 -7.902 2.025 1.00 1.74 O ATOM 493 CB LYS A 60 -5.198 -8.368 3.075 1.00 1.96 C ATOM 494 CG LYS A 60 -5.794 -7.585 4.249 1.00 2.22 C ATOM 495 CD LYS A 60 -6.136 -8.478 5.434 1.00 2.80 C ATOM 496 CE LYS A 60 -4.937 -8.719 6.343 1.00 3.43 C ATOM 497 NZ LYS A 60 -4.545 -7.491 7.093 1.00 3.85 N ATOM 0 H LYS A 60 -4.870 -9.407 0.849 1.00 2.08 H new ATOM 0 HA LYS A 60 -6.060 -10.321 3.273 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -4.239 -8.785 3.383 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -4.996 -7.675 2.258 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.086 -6.820 4.568 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -6.694 -7.068 3.917 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -6.940 -8.020 6.011 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -6.510 -9.434 5.069 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -5.173 -9.515 7.050 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -4.093 -9.063 5.745 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -3.781 -7.721 7.760 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -4.214 -6.767 6.424 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -5.366 -7.128 7.618 1.00 3.85 H new ATOM 511 N ASN A 61 -8.455 -9.951 2.618 1.00 2.50 N ATOM 512 CA ASN A 61 -9.873 -9.623 2.644 1.00 2.76 C ATOM 513 C ASN A 61 -10.467 -10.109 3.950 1.00 3.11 C ATOM 514 O ASN A 61 -10.824 -11.278 4.085 1.00 3.53 O ATOM 515 CB ASN A 61 -10.618 -10.265 1.466 1.00 3.24 C ATOM 516 CG ASN A 61 -10.513 -9.479 0.164 1.00 3.68 C ATOM 517 OD1 ASN A 61 -11.415 -9.527 -0.674 1.00 4.05 O ATOM 518 ND2 ASN A 61 -9.427 -8.750 -0.021 1.00 4.18 N ATOM 0 H ASN A 61 -8.252 -10.937 2.783 1.00 2.50 H new ATOM 0 HA ASN A 61 -9.981 -8.542 2.558 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -10.226 -11.269 1.305 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -11.670 -10.372 1.730 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -9.318 -8.206 -0.877 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -8.698 -8.731 0.692 1.00 4.18 H new ATOM 525 N PHE A 62 -10.548 -9.214 4.916 1.00 3.09 N ATOM 526 CA PHE A 62 -10.994 -9.562 6.255 1.00 3.55 C ATOM 527 C PHE A 62 -11.716 -8.387 6.892 1.00 4.05 C ATOM 528 O PHE A 62 -11.205 -7.269 6.903 1.00 4.38 O ATOM 529 CB PHE A 62 -9.804 -9.961 7.139 1.00 4.05 C ATOM 530 CG PHE A 62 -9.210 -11.305 6.818 1.00 4.80 C ATOM 531 CD1 PHE A 62 -9.798 -12.467 7.292 1.00 5.37 C ATOM 532 CD2 PHE A 62 -8.059 -11.406 6.051 1.00 5.28 C ATOM 533 CE1 PHE A 62 -9.250 -13.703 7.005 1.00 6.27 C ATOM 534 CE2 PHE A 62 -7.510 -12.638 5.762 1.00 6.21 C ATOM 535 CZ PHE A 62 -8.105 -13.788 6.239 1.00 6.66 C ATOM 0 H PHE A 62 -10.308 -8.230 4.798 1.00 3.09 H new ATOM 0 HA PHE A 62 -11.676 -10.408 6.172 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -9.027 -9.203 7.044 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -10.125 -9.959 8.181 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -10.694 -12.406 7.892 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -7.587 -10.510 5.676 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -9.717 -14.602 7.380 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -6.614 -12.703 5.162 1.00 6.21 H new ATOM 0 HZ PHE A 62 -7.676 -14.753 6.013 1.00 6.66 H new ATOM 545 N PHE A 63 -12.897 -8.645 7.426 1.00 4.57 N ATOM 546 CA PHE A 63 -13.661 -7.615 8.113 1.00 5.42 C ATOM 547 C PHE A 63 -13.468 -7.735 9.616 1.00 5.92 C ATOM 548 O PHE A 63 -14.060 -6.989 10.396 1.00 6.42 O ATOM 549 CB PHE A 63 -15.147 -7.709 7.758 1.00 6.08 C ATOM 550 CG PHE A 63 -15.453 -7.286 6.348 1.00 6.58 C ATOM 551 CD1 PHE A 63 -15.871 -5.995 6.069 1.00 7.21 C ATOM 552 CD2 PHE A 63 -15.323 -8.186 5.300 1.00 6.73 C ATOM 553 CE1 PHE A 63 -16.155 -5.608 4.774 1.00 7.98 C ATOM 554 CE2 PHE A 63 -15.606 -7.804 4.003 1.00 7.51 C ATOM 555 CZ PHE A 63 -16.014 -6.494 3.743 1.00 8.13 C ATOM 0 H PHE A 63 -13.349 -9.559 7.398 1.00 4.57 H new ATOM 0 HA PHE A 63 -13.295 -6.642 7.786 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -15.483 -8.736 7.902 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -15.718 -7.087 8.448 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -15.976 -5.283 6.874 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -14.997 -9.196 5.500 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -16.490 -4.601 4.575 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -15.512 -8.514 3.195 1.00 7.51 H new ATOM 0 HZ PHE A 63 -16.218 -6.182 2.729 1.00 8.13 H new ATOM 565 N LYS A 64 -12.639 -8.690 10.014 1.00 6.06 N ATOM 566 CA LYS A 64 -12.326 -8.896 11.420 1.00 6.71 C ATOM 567 C LYS A 64 -11.029 -8.183 11.782 1.00 6.68 C ATOM 568 O LYS A 64 -10.735 -7.962 12.956 1.00 6.92 O ATOM 569 CB LYS A 64 -12.184 -10.388 11.731 1.00 7.46 C ATOM 570 CG LYS A 64 -13.382 -11.234 11.328 1.00 8.15 C ATOM 571 CD LYS A 64 -14.674 -10.722 11.942 1.00 8.91 C ATOM 572 CE LYS A 64 -15.791 -11.745 11.812 1.00 9.51 C ATOM 573 NZ LYS A 64 -15.987 -12.195 10.407 1.00 10.05 N ATOM 0 H LYS A 64 -12.170 -9.336 9.380 1.00 6.06 H new ATOM 0 HA LYS A 64 -13.145 -8.486 12.011 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -11.299 -10.769 11.222 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -12.014 -10.508 12.801 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -13.474 -11.238 10.242 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -13.218 -12.266 11.638 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -14.512 -10.489 12.994 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -14.969 -9.794 11.452 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -15.565 -12.608 12.439 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -16.720 -11.314 12.186 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -16.851 -12.771 10.344 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -16.078 -11.366 9.786 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -15.169 -12.764 10.107 1.00 10.05 H new ATOM 587 N ASP A 65 -10.268 -7.813 10.758 1.00 6.69 N ATOM 588 CA ASP A 65 -8.940 -7.238 10.945 1.00 6.98 C ATOM 589 C ASP A 65 -9.048 -5.834 11.537 1.00 7.54 C ATOM 590 O ASP A 65 -9.555 -4.914 10.892 1.00 7.94 O ATOM 591 CB ASP A 65 -8.201 -7.206 9.605 1.00 7.04 C ATOM 592 CG ASP A 65 -6.697 -7.108 9.761 1.00 7.56 C ATOM 593 OD1 ASP A 65 -6.123 -7.918 10.521 1.00 7.91 O ATOM 594 OD2 ASP A 65 -6.075 -6.262 9.088 1.00 7.87 O ATOM 0 H ASP A 65 -10.551 -7.902 9.782 1.00 6.69 H new ATOM 0 HA ASP A 65 -8.376 -7.857 11.643 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -8.444 -8.106 9.040 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -8.556 -6.357 9.020 1.00 7.04 H new ATOM 599 N VAL A 66 -8.596 -5.681 12.776 1.00 7.81 N ATOM 600 CA VAL A 66 -8.758 -4.423 13.496 1.00 8.51 C ATOM 601 C VAL A 66 -7.493 -4.042 14.286 1.00 8.76 C ATOM 602 O VAL A 66 -7.186 -2.855 14.422 1.00 9.29 O ATOM 603 CB VAL A 66 -9.815 -4.497 14.309 1.00 8.83 C ATOM 604 CG1 VAL A 66 -9.645 -5.580 15.372 1.00 9.35 C ATOM 605 CG2 VAL A 66 -10.130 -3.150 14.945 1.00 8.99 C ATOM 0 H VAL A 66 -8.115 -6.411 13.302 1.00 7.81 H new ATOM 0 HA VAL A 66 -8.924 -3.637 12.759 1.00 8.51 H new ATOM 0 HB VAL A 66 -10.667 -4.780 13.691 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -10.528 -5.605 16.011 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -9.520 -6.549 14.888 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -8.765 -5.361 15.977 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -10.996 -3.250 15.600 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -9.272 -2.813 15.527 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -10.348 -2.421 14.164 1.00 8.99 H new ATOM 615 N ALA A 67 -6.728 -5.058 14.713 1.00 8.55 N ATOM 616 CA ALA A 67 -5.578 -4.892 15.615 1.00 8.92 C ATOM 617 C ALA A 67 -4.753 -3.635 15.342 1.00 9.09 C ATOM 618 O ALA A 67 -4.085 -3.527 14.312 1.00 9.14 O ATOM 619 CB ALA A 67 -4.675 -6.111 15.531 1.00 9.16 C ATOM 0 H ALA A 67 -6.892 -6.027 14.439 1.00 8.55 H new ATOM 0 HA ALA A 67 -5.995 -4.783 16.616 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -3.825 -5.981 16.201 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -5.235 -6.999 15.823 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -4.316 -6.228 14.509 1.00 9.16 H new ATOM 625 N PRO A 68 -4.813 -2.655 16.260 1.00 9.42 N ATOM 626 CA PRO A 68 -3.944 -1.481 16.230 1.00 9.81 C ATOM 627 C PRO A 68 -2.534 -1.831 16.691 1.00 10.00 C ATOM 628 O PRO A 68 -1.554 -1.264 16.205 1.00 10.26 O ATOM 629 CB PRO A 68 -4.601 -0.502 17.218 1.00 10.35 C ATOM 630 CG PRO A 68 -5.914 -1.117 17.590 1.00 10.29 C ATOM 631 CD PRO A 68 -5.756 -2.593 17.383 1.00 9.70 C ATOM 0 HA PRO A 68 -3.843 -1.068 15.226 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -3.975 -0.355 18.098 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -4.743 0.477 16.761 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -6.169 -0.894 18.626 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -6.719 -0.721 16.971 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -5.363 -3.088 18.271 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -6.705 -3.073 17.144 1.00 9.70 H new ATOM 639 N CYS A 69 -2.455 -2.785 17.628 1.00 10.09 N ATOM 640 CA CYS A 69 -1.185 -3.259 18.177 1.00 10.43 C ATOM 641 C CYS A 69 -0.421 -2.143 18.892 1.00 10.35 C ATOM 642 O CYS A 69 -0.886 -1.005 18.985 1.00 10.58 O ATOM 643 CB CYS A 69 -0.311 -3.851 17.068 1.00 10.98 C ATOM 644 SG CYS A 69 -1.059 -5.265 16.191 1.00 11.49 S ATOM 0 H CYS A 69 -3.273 -3.248 18.025 1.00 10.09 H new ATOM 0 HA CYS A 69 -1.419 -4.032 18.909 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -0.085 -3.068 16.344 1.00 10.98 H new ATOM 0 HB3 CYS A 69 0.638 -4.168 17.501 1.00 10.98 H new ATOM 649 N THR A 70 0.739 -2.486 19.432 1.00 10.23 N ATOM 650 CA THR A 70 1.657 -1.492 19.948 1.00 10.31 C ATOM 651 C THR A 70 2.415 -0.862 18.786 1.00 10.28 C ATOM 652 O THR A 70 2.515 0.361 18.680 1.00 10.36 O ATOM 653 CB THR A 70 2.500 -2.032 20.805 1.00 10.47 C ATOM 654 OG1 THR A 70 2.957 -3.301 20.310 1.00 10.95 O ATOM 655 CG2 THR A 70 1.857 -2.211 22.171 1.00 10.51 C ATOM 0 H THR A 70 1.064 -3.449 19.523 1.00 10.23 H new ATOM 0 HA THR A 70 1.091 -0.724 20.475 1.00 10.31 H new ATOM 0 HB THR A 70 3.349 -1.358 20.915 1.00 10.47 H new ATOM 0 HG1 THR A 70 3.584 -3.696 20.951 1.00 10.95 H new ATOM 0 HG21 THR A 70 2.577 -2.659 22.856 1.00 10.51 H new ATOM 0 HG22 THR A 70 1.545 -1.240 22.556 1.00 10.51 H new ATOM 0 HG23 THR A 70 0.988 -2.863 22.081 1.00 10.51 H new ATOM 663 N ASP A 71 2.900 -1.712 17.890 1.00 10.38 N ATOM 664 CA ASP A 71 3.494 -1.263 16.639 1.00 10.55 C ATOM 665 C ASP A 71 2.388 -0.911 15.656 1.00 10.46 C ATOM 666 O ASP A 71 1.670 -1.789 15.179 1.00 10.82 O ATOM 667 CB ASP A 71 4.396 -2.347 16.043 1.00 11.00 C ATOM 668 CG ASP A 71 5.644 -2.597 16.867 1.00 11.33 C ATOM 669 OD1 ASP A 71 5.539 -3.241 17.932 1.00 11.56 O ATOM 670 OD2 ASP A 71 6.738 -2.158 16.455 1.00 11.54 O ATOM 0 H ASP A 71 2.893 -2.725 18.009 1.00 10.38 H new ATOM 0 HA ASP A 71 4.106 -0.383 16.837 1.00 10.55 H new ATOM 0 HB2 ASP A 71 3.831 -3.275 15.958 1.00 11.00 H new ATOM 0 HB3 ASP A 71 4.686 -2.056 15.033 1.00 11.00 H new ATOM 675 N SER A 72 2.239 0.372 15.376 1.00 10.16 N ATOM 676 CA SER A 72 1.158 0.850 14.523 1.00 10.18 C ATOM 677 C SER A 72 1.371 0.422 13.070 1.00 9.81 C ATOM 678 O SER A 72 2.492 0.483 12.558 1.00 9.67 O ATOM 679 CB SER A 72 1.054 2.378 14.618 1.00 10.51 C ATOM 680 OG SER A 72 -0.018 2.878 13.831 1.00 10.96 O ATOM 0 H SER A 72 2.854 1.106 15.727 1.00 10.16 H new ATOM 0 HA SER A 72 0.226 0.405 14.870 1.00 10.18 H new ATOM 0 HB2 SER A 72 0.910 2.670 15.658 1.00 10.51 H new ATOM 0 HB3 SER A 72 1.990 2.828 14.288 1.00 10.51 H new ATOM 0 HG SER A 72 -0.058 3.854 13.915 1.00 10.96 H new ATOM 686 N PRO A 73 0.294 -0.026 12.393 1.00 9.90 N ATOM 687 CA PRO A 73 0.341 -0.413 10.976 1.00 9.80 C ATOM 688 C PRO A 73 0.835 0.724 10.081 1.00 9.46 C ATOM 689 O PRO A 73 0.793 1.899 10.469 1.00 9.61 O ATOM 690 CB PRO A 73 -1.114 -0.760 10.644 1.00 10.31 C ATOM 691 CG PRO A 73 -1.743 -1.078 11.957 1.00 10.68 C ATOM 692 CD PRO A 73 -1.053 -0.208 12.967 1.00 10.39 C ATOM 0 HA PRO A 73 1.035 -1.236 10.805 1.00 9.80 H new ATOM 0 HB2 PRO A 73 -1.618 0.075 10.157 1.00 10.31 H new ATOM 0 HB3 PRO A 73 -1.172 -1.609 9.963 1.00 10.31 H new ATOM 0 HG2 PRO A 73 -2.814 -0.877 11.936 1.00 10.68 H new ATOM 0 HG3 PRO A 73 -1.622 -2.133 12.203 1.00 10.68 H new ATOM 0 HD2 PRO A 73 -1.567 0.744 13.096 1.00 10.39 H new ATOM 0 HD3 PRO A 73 -1.012 -0.684 13.947 1.00 10.39 H new ATOM 700 N GLU A 74 1.286 0.373 8.880 1.00 9.22 N ATOM 701 CA GLU A 74 1.867 1.341 7.954 1.00 9.06 C ATOM 702 C GLU A 74 0.815 2.329 7.456 1.00 8.23 C ATOM 703 O GLU A 74 -0.217 1.932 6.917 1.00 8.21 O ATOM 704 CB GLU A 74 2.510 0.621 6.766 1.00 9.74 C ATOM 705 CG GLU A 74 3.631 -0.329 7.162 1.00 10.53 C ATOM 706 CD GLU A 74 4.243 -1.039 5.971 1.00 11.29 C ATOM 707 OE1 GLU A 74 5.208 -0.507 5.384 1.00 11.57 O ATOM 708 OE2 GLU A 74 3.768 -2.138 5.624 1.00 11.76 O ATOM 0 H GLU A 74 1.260 -0.582 8.523 1.00 9.22 H new ATOM 0 HA GLU A 74 2.633 1.900 8.492 1.00 9.06 H new ATOM 0 HB2 GLU A 74 1.742 0.061 6.233 1.00 9.74 H new ATOM 0 HB3 GLU A 74 2.903 1.364 6.072 1.00 9.74 H new ATOM 0 HG2 GLU A 74 4.407 0.229 7.685 1.00 10.53 H new ATOM 0 HG3 GLU A 74 3.244 -1.070 7.862 1.00 10.53 H new ATOM 715 N PHE A 75 1.085 3.615 7.644 1.00 7.77 N ATOM 716 CA PHE A 75 0.171 4.663 7.197 1.00 7.11 C ATOM 717 C PHE A 75 0.409 5.009 5.729 1.00 6.04 C ATOM 718 O PHE A 75 -0.317 5.817 5.151 1.00 6.09 O ATOM 719 CB PHE A 75 0.305 5.921 8.073 1.00 7.64 C ATOM 720 CG PHE A 75 1.628 6.631 7.958 1.00 8.33 C ATOM 721 CD1 PHE A 75 2.726 6.212 8.690 1.00 8.82 C ATOM 722 CD2 PHE A 75 1.765 7.728 7.123 1.00 8.70 C ATOM 723 CE1 PHE A 75 3.938 6.871 8.590 1.00 9.64 C ATOM 724 CE2 PHE A 75 2.972 8.392 7.019 1.00 9.54 C ATOM 725 CZ PHE A 75 4.061 7.963 7.753 1.00 10.00 C ATOM 0 H PHE A 75 1.929 3.959 8.103 1.00 7.77 H new ATOM 0 HA PHE A 75 -0.845 4.281 7.298 1.00 7.11 H new ATOM 0 HB2 PHE A 75 -0.490 6.618 7.808 1.00 7.64 H new ATOM 0 HB3 PHE A 75 0.148 5.640 9.114 1.00 7.64 H new ATOM 0 HD1 PHE A 75 2.635 5.360 9.347 1.00 8.82 H new ATOM 0 HD2 PHE A 75 0.918 8.068 6.546 1.00 8.70 H new ATOM 0 HE1 PHE A 75 4.787 6.532 9.165 1.00 9.64 H new ATOM 0 HE2 PHE A 75 3.064 9.246 6.364 1.00 9.54 H new ATOM 0 HZ PHE A 75 5.006 8.480 7.673 1.00 10.00 H new ATOM 735 N TYR A 76 1.428 4.385 5.142 1.00 5.40 N ATOM 736 CA TYR A 76 1.790 4.597 3.739 1.00 4.59 C ATOM 737 C TYR A 76 2.007 6.084 3.435 1.00 3.79 C ATOM 738 O TYR A 76 3.004 6.666 3.858 1.00 3.92 O ATOM 739 CB TYR A 76 0.727 4.007 2.804 1.00 4.75 C ATOM 740 CG TYR A 76 0.478 2.529 3.006 1.00 5.22 C ATOM 741 CD1 TYR A 76 1.433 1.588 2.648 1.00 5.71 C ATOM 742 CD2 TYR A 76 -0.721 2.076 3.545 1.00 5.53 C ATOM 743 CE1 TYR A 76 1.204 0.237 2.822 1.00 6.42 C ATOM 744 CE2 TYR A 76 -0.958 0.726 3.723 1.00 6.25 C ATOM 745 CZ TYR A 76 0.008 -0.190 3.359 1.00 6.65 C ATOM 746 OH TYR A 76 -0.223 -1.535 3.531 1.00 7.53 O ATOM 0 H TYR A 76 2.028 3.717 5.625 1.00 5.40 H new ATOM 0 HA TYR A 76 2.732 4.078 3.562 1.00 4.59 H new ATOM 0 HB2 TYR A 76 -0.209 4.545 2.950 1.00 4.75 H new ATOM 0 HB3 TYR A 76 1.033 4.175 1.771 1.00 4.75 H new ATOM 0 HD1 TYR A 76 2.371 1.918 2.226 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -1.479 2.791 3.829 1.00 5.53 H new ATOM 0 HE1 TYR A 76 1.959 -0.482 2.539 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -1.894 0.390 4.145 1.00 6.25 H new ATOM 0 HH TYR A 76 -1.112 -1.667 3.921 1.00 7.53 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 H GLY A 77 0.217 6.245 2.381 1.00 3.20 H new 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 1027 N THR A 95 12.096 7.394 3.404 1.00 1.95 N ATOM 1028 CA THR A 95 13.383 6.757 3.548 1.00 2.19 C ATOM 1029 C THR A 95 13.588 6.202 4.955 1.00 2.45 C ATOM 1030 O THR A 95 13.054 6.725 5.934 1.00 2.63 O ATOM 1031 CB THR A 95 14.367 7.594 3.229 1.00 2.45 C ATOM 1032 OG1 THR A 95 15.647 6.960 3.396 1.00 2.89 O ATOM 1033 CG2 THR A 95 14.315 8.877 4.050 1.00 2.83 C ATOM 0 H THR A 95 12.106 8.404 3.548 1.00 1.95 H new ATOM 0 HA THR A 95 13.404 5.916 2.855 1.00 2.19 H new ATOM 0 HB THR A 95 14.231 7.861 2.181 1.00 2.45 H new ATOM 0 HG1 THR A 95 16.358 7.590 3.155 1.00 2.89 H new ATOM 0 HG21 THR A 95 15.136 9.530 3.756 1.00 2.83 H new ATOM 0 HG22 THR A 95 13.367 9.384 3.873 1.00 2.83 H new ATOM 0 HG23 THR A 95 14.405 8.635 5.109 1.00 2.83 H new ATOM 1041 N PHE A 96 14.291 5.082 5.027 1.00 2.62 N ATOM 1042 CA PHE A 96 14.729 4.518 6.287 1.00 3.02 C ATOM 1043 C PHE A 96 16.231 4.306 6.204 1.00 3.39 C ATOM 1044 O PHE A 96 16.708 3.558 5.349 1.00 3.84 O ATOM 1045 CB PHE A 96 14.038 3.184 6.580 1.00 3.29 C ATOM 1046 CG PHE A 96 12.534 3.229 6.589 1.00 3.71 C ATOM 1047 CD1 PHE A 96 11.847 4.054 7.462 1.00 4.45 C ATOM 1048 CD2 PHE A 96 11.810 2.423 5.727 1.00 3.78 C ATOM 1049 CE1 PHE A 96 10.465 4.073 7.471 1.00 5.24 C ATOM 1050 CE2 PHE A 96 10.435 2.437 5.727 1.00 4.50 C ATOM 1051 CZ PHE A 96 9.758 3.263 6.601 1.00 5.25 C ATOM 0 H PHE A 96 14.572 4.540 4.210 1.00 2.62 H new ATOM 0 HA PHE A 96 14.470 5.203 7.095 1.00 3.02 H new ATOM 0 HB2 PHE A 96 14.359 2.456 5.835 1.00 3.29 H new ATOM 0 HB3 PHE A 96 14.380 2.821 7.549 1.00 3.29 H new ATOM 0 HD1 PHE A 96 12.395 4.689 8.142 1.00 4.45 H new ATOM 0 HD2 PHE A 96 12.334 1.772 5.043 1.00 3.78 H new ATOM 0 HE1 PHE A 96 9.938 4.720 8.157 1.00 5.24 H new ATOM 0 HE2 PHE A 96 9.887 1.804 5.045 1.00 4.50 H new ATOM 0 HZ PHE A 96 8.678 3.277 6.606 1.00 5.25 H new ATOM 1061 N ASP A 97 16.976 4.983 7.060 1.00 3.71 N ATOM 1062 CA ASP A 97 18.431 4.939 6.998 1.00 4.37 C ATOM 1063 C ASP A 97 18.996 3.726 7.741 1.00 4.59 C ATOM 1064 O ASP A 97 18.636 2.584 7.445 1.00 4.90 O ATOM 1065 CB ASP A 97 19.035 6.249 7.525 1.00 5.00 C ATOM 1066 CG ASP A 97 18.511 6.643 8.891 1.00 5.62 C ATOM 1067 OD1 ASP A 97 19.195 6.362 9.898 1.00 5.98 O ATOM 1068 OD2 ASP A 97 17.403 7.214 8.963 1.00 6.06 O ATOM 0 H ASP A 97 16.601 5.569 7.806 1.00 3.71 H new ATOM 0 HA ASP A 97 18.715 4.830 5.951 1.00 4.37 H new ATOM 0 HB2 ASP A 97 20.119 6.147 7.575 1.00 5.00 H new ATOM 0 HB3 ASP A 97 18.822 7.050 6.817 1.00 5.00 H new ATOM 1073 N TYR A 98 19.869 3.968 8.708 1.00 4.86 N ATOM 1074 CA TYR A 98 20.594 2.890 9.364 1.00 5.39 C ATOM 1075 C TYR A 98 20.078 2.676 10.785 1.00 5.39 C ATOM 1076 O TYR A 98 20.662 1.924 11.565 1.00 5.65 O ATOM 1077 CB TYR A 98 22.091 3.215 9.377 1.00 6.08 C ATOM 1078 CG TYR A 98 22.980 1.998 9.468 1.00 6.83 C ATOM 1079 CD1 TYR A 98 23.009 1.064 8.440 1.00 7.42 C ATOM 1080 CD2 TYR A 98 23.795 1.789 10.570 1.00 7.24 C ATOM 1081 CE1 TYR A 98 23.824 -0.046 8.509 1.00 8.35 C ATOM 1082 CE2 TYR A 98 24.614 0.679 10.647 1.00 8.16 C ATOM 1083 CZ TYR A 98 24.624 -0.236 9.613 1.00 8.70 C ATOM 1084 OH TYR A 98 25.441 -1.342 9.686 1.00 9.77 O ATOM 0 H TYR A 98 20.092 4.901 9.055 1.00 4.86 H new ATOM 0 HA TYR A 98 20.434 1.966 8.809 1.00 5.39 H new ATOM 0 HB2 TYR A 98 22.341 3.768 8.472 1.00 6.08 H new ATOM 0 HB3 TYR A 98 22.303 3.872 10.221 1.00 6.08 H new ATOM 0 HD1 TYR A 98 22.383 1.210 7.572 1.00 7.42 H new ATOM 0 HD2 TYR A 98 23.790 2.504 11.380 1.00 7.24 H new ATOM 0 HE1 TYR A 98 23.835 -0.763 7.701 1.00 8.35 H new ATOM 0 HE2 TYR A 98 25.243 0.528 11.512 1.00 8.16 H new ATOM 0 HH TYR A 98 25.940 -1.325 10.529 1.00 9.77 H new ATOM 1094 N GLN A 99 18.975 3.331 11.114 1.00 5.51 N ATOM 1095 CA GLN A 99 18.381 3.211 12.439 1.00 5.83 C ATOM 1096 C GLN A 99 17.489 1.972 12.533 1.00 5.62 C ATOM 1097 O GLN A 99 16.264 2.085 12.577 1.00 5.86 O ATOM 1098 CB GLN A 99 17.590 4.477 12.784 1.00 6.51 C ATOM 1099 CG GLN A 99 16.719 4.992 11.648 1.00 7.10 C ATOM 1100 CD GLN A 99 15.908 6.208 12.047 1.00 7.79 C ATOM 1101 OE1 GLN A 99 15.526 6.354 13.208 1.00 8.08 O ATOM 1102 NE2 GLN A 99 15.659 7.101 11.103 1.00 8.34 N ATOM 0 H GLN A 99 18.471 3.953 10.481 1.00 5.51 H new ATOM 0 HA GLN A 99 19.187 3.096 13.164 1.00 5.83 H new ATOM 0 HB2 GLN A 99 16.958 4.274 13.649 1.00 6.51 H new ATOM 0 HB3 GLN A 99 18.289 5.261 13.077 1.00 6.51 H new ATOM 0 HG2 GLN A 99 17.350 5.243 10.795 1.00 7.10 H new ATOM 0 HG3 GLN A 99 16.045 4.200 11.323 1.00 7.10 H new ATOM 0 HE21 GLN A 99 15.993 6.944 10.152 1.00 8.34 H new ATOM 0 HE22 GLN A 99 15.134 7.946 11.326 1.00 8.34 H new ATOM 1111 N MET A 100 18.134 0.796 12.548 1.00 5.51 N ATOM 1112 CA MET A 100 17.467 -0.521 12.560 1.00 5.61 C ATOM 1113 C MET A 100 16.366 -0.627 11.501 1.00 5.03 C ATOM 1114 O MET A 100 15.480 -1.479 11.592 1.00 5.20 O ATOM 1115 CB MET A 100 16.910 -0.874 13.954 1.00 6.33 C ATOM 1116 CG MET A 100 15.661 -0.107 14.371 1.00 6.86 C ATOM 1117 SD MET A 100 14.931 -0.736 15.897 1.00 7.54 S ATOM 1118 CE MET A 100 16.285 -0.510 17.048 1.00 8.19 C ATOM 0 H MET A 100 19.152 0.729 12.552 1.00 5.51 H new ATOM 0 HA MET A 100 18.238 -1.250 12.309 1.00 5.61 H new ATOM 0 HB2 MET A 100 16.686 -1.940 13.978 1.00 6.33 H new ATOM 0 HB3 MET A 100 17.690 -0.695 14.694 1.00 6.33 H new ATOM 0 HG2 MET A 100 15.913 0.945 14.501 1.00 6.86 H new ATOM 0 HG3 MET A 100 14.923 -0.161 13.571 1.00 6.86 H new ATOM 0 HE1 MET A 100 15.917 -0.615 18.068 1.00 8.19 H new ATOM 0 HE2 MET A 100 17.052 -1.261 16.860 1.00 8.19 H new ATOM 0 HE3 MET A 100 16.712 0.484 16.917 1.00 8.19 H new ATOM 1128 N THR A 101 16.447 0.211 10.482 1.00 4.63 N ATOM 1129 CA THR A 101 15.460 0.226 9.426 1.00 4.25 C ATOM 1130 C THR A 101 15.910 -0.618 8.235 1.00 3.46 C ATOM 1131 O THR A 101 17.109 -0.828 8.034 1.00 3.35 O ATOM 1132 CB THR A 101 15.208 1.461 9.048 1.00 4.65 C ATOM 1133 OG1 THR A 101 16.427 2.225 9.043 1.00 5.10 O ATOM 1134 CG2 THR A 101 14.193 2.119 9.971 1.00 5.07 C ATOM 0 H THR A 101 17.195 0.895 10.367 1.00 4.63 H new ATOM 0 HA THR A 101 14.543 -0.212 9.819 1.00 4.25 H new ATOM 0 HB THR A 101 14.788 1.433 8.042 1.00 4.65 H new ATOM 0 HG1 THR A 101 16.945 2.009 8.240 1.00 5.10 H new ATOM 0 HG21 THR A 101 14.003 3.139 9.635 1.00 5.07 H new ATOM 0 HG22 THR A 101 13.262 1.552 9.952 1.00 5.07 H new ATOM 0 HG23 THR A 101 14.585 2.139 10.988 1.00 5.07 H new ATOM 1142 N PRO A 102 14.956 -1.173 7.472 1.00 3.42 N ATOM 1143 CA PRO A 102 15.256 -2.086 6.373 1.00 3.17 C ATOM 1144 C PRO A 102 15.690 -1.373 5.092 1.00 2.61 C ATOM 1145 O PRO A 102 16.870 -1.380 4.733 1.00 2.79 O ATOM 1146 CB PRO A 102 13.929 -2.834 6.145 1.00 3.96 C ATOM 1147 CG PRO A 102 12.972 -2.316 7.178 1.00 4.51 C ATOM 1148 CD PRO A 102 13.512 -0.991 7.630 1.00 4.18 C ATOM 0 HA PRO A 102 16.095 -2.735 6.623 1.00 3.17 H new ATOM 0 HB2 PRO A 102 13.550 -2.655 5.139 1.00 3.96 H new ATOM 0 HB3 PRO A 102 14.067 -3.910 6.247 1.00 3.96 H new ATOM 0 HG2 PRO A 102 11.972 -2.205 6.760 1.00 4.51 H new ATOM 0 HG3 PRO A 102 12.892 -3.009 8.016 1.00 4.51 H new ATOM 0 HD2 PRO A 102 13.136 -0.169 7.020 1.00 4.18 H new ATOM 0 HD3 PRO A 102 13.240 -0.772 8.663 1.00 4.18 H new ATOM 1156 N THR A 103 14.736 -0.756 4.412 1.00 2.26 N ATOM 1157 CA THR A 103 14.978 -0.177 3.102 1.00 1.91 C ATOM 1158 C THR A 103 14.520 1.263 3.025 1.00 1.65 C ATOM 1159 O THR A 103 13.813 1.748 3.892 1.00 1.74 O ATOM 1160 CB THR A 103 14.326 -0.851 2.174 1.00 2.12 C ATOM 1161 OG1 THR A 103 12.962 -1.032 2.584 1.00 2.59 O ATOM 1162 CG2 THR A 103 14.954 -2.201 1.906 1.00 2.29 C ATOM 0 H THR A 103 13.780 -0.644 4.750 1.00 2.26 H new ATOM 0 HA THR A 103 16.054 -0.224 2.937 1.00 1.91 H new ATOM 0 HB THR A 103 14.372 -0.274 1.251 1.00 2.12 H new ATOM 0 HG1 THR A 103 12.477 -1.531 1.894 1.00 2.59 H new ATOM 0 HG21 THR A 103 14.384 -2.721 1.136 1.00 2.29 H new ATOM 0 HG22 THR A 103 15.981 -2.064 1.568 1.00 2.29 H new ATOM 0 HG23 THR A 103 14.950 -2.793 2.822 1.00 2.29 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 H LYS A 104 15.759 1.655 1.418 1.00 1.52 H new 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 6.793 -0.116 -10.309 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 8.485 -0.129 -10.171 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 7.521 -0.513 -8.827 1.00 3.45 H new ATOM 1514 N ARG A 124 11.682 0.431 -3.715 1.00 1.23 N ATOM 1515 CA ARG A 124 12.850 0.627 -2.872 1.00 1.40 C ATOM 1516 C ARG A 124 13.866 1.536 -3.548 1.00 1.63 C ATOM 1517 O ARG A 124 13.899 1.638 -4.778 1.00 1.81 O ATOM 1518 CB ARG A 124 13.506 -0.712 -2.519 1.00 1.65 C ATOM 1519 CG ARG A 124 14.021 -1.484 -3.725 1.00 1.97 C ATOM 1520 CD ARG A 124 14.880 -2.665 -3.306 1.00 2.31 C ATOM 1521 NE ARG A 124 14.161 -3.589 -2.427 1.00 2.83 N ATOM 1522 CZ ARG A 124 14.706 -4.199 -1.373 1.00 3.38 C ATOM 1523 NH1 ARG A 124 15.994 -4.049 -1.103 1.00 3.50 N ATOM 1524 NH2 ARG A 124 13.963 -4.990 -0.604 1.00 4.23 N ATOM 0 H ARG A 124 11.683 -0.439 -4.247 1.00 1.23 H new ATOM 0 HA ARG A 124 12.511 1.104 -1.952 1.00 1.40 H new ATOM 0 HB2 ARG A 124 14.335 -0.530 -1.835 1.00 1.65 H new ATOM 0 HB3 ARG A 124 12.783 -1.330 -1.986 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.178 -1.838 -4.318 1.00 1.97 H new ATOM 0 HG3 ARG A 124 14.602 -0.818 -4.363 1.00 1.97 H new ATOM 0 HD2 ARG A 124 15.217 -3.200 -4.194 1.00 2.31 H new ATOM 0 HD3 ARG A 124 15.771 -2.300 -2.796 1.00 2.31 H new ATOM 0 HE ARG A 124 13.180 -3.779 -2.634 1.00 2.83 H new ATOM 0 HH11 ARG A 124 16.576 -3.464 -1.703 1.00 3.50 H new ATOM 0 HH12 ARG A 124 16.404 -4.518 -0.295 1.00 3.50 H new ATOM 0 HH21 ARG A 124 12.976 -5.130 -0.820 1.00 4.23 H new ATOM 0 HH22 ARG A 124 14.380 -5.456 0.202 1.00 4.23 H new ATOM 1538 N VAL A 125 14.680 2.176 -2.704 1.00 1.80 N ATOM 1539 CA VAL A 125 15.781 3.063 -3.103 1.00 2.18 C ATOM 1540 C VAL A 125 15.490 3.868 -4.376 1.00 2.76 C ATOM 1541 O VAL A 125 14.667 4.808 -4.297 1.00 3.34 O ATOM 1542 CB VAL A 125 16.952 2.425 -3.190 1.00 2.48 C ATOM 1543 CG1 VAL A 125 17.435 2.054 -1.796 1.00 3.01 C ATOM 1544 CG2 VAL A 125 16.905 1.180 -4.075 1.00 3.14 C ATOM 1545 OXT VAL A 125 16.094 3.591 -5.434 1.00 3.27 O ATOM 0 H VAL A 125 14.590 2.090 -1.692 1.00 1.80 H new ATOM 0 HA VAL A 125 15.863 3.787 -2.292 1.00 2.18 H new ATOM 0 HB VAL A 125 17.650 3.113 -3.666 1.00 2.48 H new ATOM 0 HG11 VAL A 125 18.390 1.534 -1.868 1.00 3.01 H new ATOM 0 HG12 VAL A 125 17.559 2.959 -1.201 1.00 3.01 H new ATOM 0 HG13 VAL A 125 16.703 1.403 -1.318 1.00 3.01 H new ATOM 0 HG21 VAL A 125 17.890 0.713 -4.099 1.00 3.14 H new ATOM 0 HG22 VAL A 125 16.179 0.474 -3.672 1.00 3.14 H new ATOM 0 HG23 VAL A 125 16.613 1.463 -5.086 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 0.211 -5.536 14.913 1.00 12.02 C HETATM 1557 O1 HC4 A 169 0.825 -4.593 14.445 1.00 12.16 O HETATM 1558 C2 HC4 A 169 0.401 -7.023 14.524 1.00 12.51 C HETATM 1559 C3 HC4 A 169 1.265 -7.528 13.615 1.00 13.15 C HETATM 1560 C1' HC4 A 169 2.253 -6.869 12.747 1.00 13.58 C HETATM 1561 C2' HC4 A 169 3.023 -7.661 11.898 1.00 14.40 C HETATM 1562 C3' HC4 A 169 3.968 -7.112 11.052 1.00 14.99 C HETATM 1563 C4' HC4 A 169 4.163 -5.752 11.040 1.00 14.81 C HETATM 1564 C5' HC4 A 169 3.422 -4.943 11.865 1.00 14.03 C HETATM 1565 C6' HC4 A 169 2.479 -5.500 12.707 1.00 13.40 C HETATM 1566 O4' HC4 A 169 5.099 -5.199 10.198 1.00 15.56 O HETATM 0 HO4' HC4 A 169 5.109 -4.226 10.314 1.00 15.56 H new HETATM 0 H6' HC4 A 169 1.897 -4.847 13.357 1.00 13.40 H new HETATM 0 H5' HC4 A 169 3.577 -3.864 11.856 1.00 14.03 H new HETATM 0 H3' HC4 A 169 4.556 -7.755 10.397 1.00 14.99 H new HETATM 0 H3 HC4 A 169 1.222 -8.612 13.506 1.00 13.15 H new HETATM 0 H2' HC4 A 169 2.876 -8.741 11.901 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -0.233 -7.743 15.041 1.00 12.51 H new