USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -162:sc= -7.29! (180deg=-9.39!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -6.34! C(o=-14!,f=-16!) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0.418 USER MOD Set 2.2: A 66 ASN : amide:sc= -0.331 K(o=0.087,f=-6.5!) USER MOD Set 3.1: A 51 SER OG : rot 89:sc= -0.303 USER MOD Set 3.2: A 52 HIS : no HE2:sc= -9.11! C(o=-9.4!,f=-12!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.063) USER MOD Single : A 12 THR OG1 : rot 50:sc= -0.191 USER MOD Single : A 14 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.22 K(o=-3.2,f=-8.1!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -100:sc= -1.27 USER MOD Single : A 33 GLN : amide:sc= -7.53! K(o=-7.5!,f=-3.6) USER MOD Single : A 37 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.35) USER MOD Single : A 41 MET CE :methyl -174:sc= -2.59! (180deg=-2.64!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -9.54! C(o=-9.5!,f=-9.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -25:sc= 0.861 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0.491 (180deg=0.253) USER MOD Single : A 69 SER OG : rot 120:sc= -5.87! USER MOD Single : A 74 CYS SG : rot 47:sc= -0.234 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0368 K(o=-0.037,f=-1.4) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -167:sc= -2.12 (180deg=-2.97) USER MOD Single : A 107 HIS : no HD1:sc= -7.79! C(o=-7.8!,f=-8.3!) USER MOD Single : A 110 HIS : no HE2:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 116 SER OG : rot 98:sc= 1.1 USER MOD Single : A 118 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.0038) USER MOD Single : A 122 TYR OH : rot -166:sc= 0.622 USER MOD Single : A 124 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-4.6!) USER MOD Single : A 133 MET CE :methyl 169:sc= -10.7! (180deg=-11.7!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 GLN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 141 MET CE :methyl -120:sc= -5.83! (180deg=-9.73!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 5.372 6.522 -15.481 1.00 1.94 N ATOM 2 CA SER A 3 4.939 7.193 -14.225 1.00 1.63 C ATOM 3 C SER A 3 4.545 6.174 -13.161 1.00 1.31 C ATOM 4 O SER A 3 4.198 5.034 -13.474 1.00 1.66 O ATOM 5 CB SER A 3 3.754 8.110 -14.541 1.00 1.81 C ATOM 6 OG SER A 3 4.195 9.395 -14.942 1.00 2.13 O ATOM 0 HA SER A 3 5.770 7.776 -13.830 1.00 1.63 H new ATOM 0 HB2 SER A 3 3.148 7.667 -15.332 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.115 8.199 -13.662 1.00 1.81 H new ATOM 0 HG SER A 3 3.419 9.960 -15.140 1.00 2.13 H new ATOM 12 N VAL A 4 4.599 6.591 -11.901 1.00 1.30 N ATOM 13 CA VAL A 4 4.245 5.715 -10.792 1.00 1.06 C ATOM 14 C VAL A 4 2.742 5.453 -10.765 1.00 0.93 C ATOM 15 O VAL A 4 1.985 6.174 -10.116 1.00 1.44 O ATOM 16 CB VAL A 4 4.685 6.314 -9.441 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.051 7.680 -9.226 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.343 5.372 -8.297 1.00 2.29 C ATOM 0 H VAL A 4 4.884 7.530 -11.623 1.00 1.30 H new ATOM 0 HA VAL A 4 4.771 4.773 -10.945 1.00 1.06 H new ATOM 0 HB VAL A 4 5.767 6.442 -9.461 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.375 8.085 -8.267 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.358 8.354 -10.026 1.00 1.82 H new ATOM 0 HG13 VAL A 4 2.965 7.582 -9.231 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.662 5.815 -7.353 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.266 5.204 -8.273 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.855 4.421 -8.443 1.00 2.29 H new ATOM 22 N LEU A 5 2.315 4.415 -11.478 1.00 0.94 N ATOM 23 CA LEU A 5 0.904 4.061 -11.535 1.00 1.34 C ATOM 24 C LEU A 5 0.433 3.477 -10.206 1.00 1.09 C ATOM 25 O LEU A 5 0.318 2.261 -10.049 1.00 1.34 O ATOM 26 CB LEU A 5 0.646 3.065 -12.670 1.00 2.05 C ATOM 27 CG LEU A 5 -0.588 3.366 -13.526 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.194 4.128 -14.782 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.313 2.079 -13.888 1.00 3.33 C ATOM 0 H LEU A 5 2.926 3.806 -12.023 1.00 0.94 H new ATOM 0 HA LEU A 5 0.337 4.971 -11.730 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.522 3.040 -13.318 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.538 2.069 -12.242 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.266 3.990 -12.944 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.084 4.333 -15.377 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.280 5.069 -14.503 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.504 3.529 -15.367 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.187 2.312 -14.496 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.642 1.430 -14.451 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.630 1.571 -12.977 1.00 3.33 H new ATOM 35 N VAL A 6 0.159 4.356 -9.252 1.00 0.88 N ATOM 36 CA VAL A 6 -0.307 3.932 -7.941 1.00 0.75 C ATOM 37 C VAL A 6 -1.785 4.267 -7.774 1.00 0.75 C ATOM 38 O VAL A 6 -2.206 5.397 -8.024 1.00 1.03 O ATOM 39 CB VAL A 6 0.514 4.596 -6.814 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.576 6.100 -7.019 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.054 4.254 -5.440 1.00 1.02 C ATOM 0 H VAL A 6 0.252 5.366 -9.362 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.172 2.853 -7.870 1.00 0.75 H new ATOM 0 HB VAL A 6 1.529 4.201 -6.856 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.158 6.553 -6.216 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.048 6.317 -7.977 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.434 6.510 -7.011 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.546 4.736 -4.668 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.083 4.607 -5.374 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.031 3.174 -5.295 1.00 1.02 H new ATOM 45 N ASP A 7 -2.573 3.277 -7.370 1.00 0.72 N ATOM 46 CA ASP A 7 -4.008 3.475 -7.194 1.00 0.83 C ATOM 47 C ASP A 7 -4.428 3.307 -5.738 1.00 0.75 C ATOM 48 O ASP A 7 -4.073 2.326 -5.083 1.00 0.99 O ATOM 49 CB ASP A 7 -4.786 2.495 -8.076 1.00 1.02 C ATOM 50 CG ASP A 7 -5.320 3.149 -9.335 1.00 1.78 C ATOM 51 OD1 ASP A 7 -5.730 4.327 -9.265 1.00 2.52 O ATOM 52 OD2 ASP A 7 -5.329 2.483 -10.392 1.00 2.33 O ATOM 0 H ASP A 7 -2.246 2.334 -7.159 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.239 4.498 -7.492 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.137 1.663 -8.349 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.616 2.078 -7.506 1.00 1.02 H new ATOM 57 N LEU A 8 -5.201 4.271 -5.246 1.00 0.63 N ATOM 58 CA LEU A 8 -5.695 4.241 -3.875 1.00 0.74 C ATOM 59 C LEU A 8 -7.159 3.812 -3.858 1.00 0.59 C ATOM 60 O LEU A 8 -7.958 4.281 -4.669 1.00 0.79 O ATOM 61 CB LEU A 8 -5.541 5.621 -3.227 1.00 1.20 C ATOM 62 CG LEU A 8 -4.759 5.638 -1.915 1.00 0.83 C ATOM 63 CD1 LEU A 8 -5.490 4.840 -0.847 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.354 5.092 -2.125 1.00 1.52 C ATOM 0 H LEU A 8 -5.500 5.087 -5.781 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.109 3.520 -3.305 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.046 6.285 -3.936 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -6.534 6.033 -3.045 1.00 1.20 H new ATOM 0 HG LEU A 8 -4.679 6.671 -1.575 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -4.918 4.864 0.080 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -6.474 5.276 -0.677 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -5.603 3.807 -1.178 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -2.811 5.111 -1.180 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.413 4.066 -2.489 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -2.830 5.707 -2.857 1.00 1.52 H new ATOM 70 N GLN A 9 -7.510 2.913 -2.944 1.00 0.65 N ATOM 71 CA GLN A 9 -8.882 2.428 -2.853 1.00 0.80 C ATOM 72 C GLN A 9 -9.410 2.483 -1.426 1.00 0.79 C ATOM 73 O GLN A 9 -8.861 1.857 -0.518 1.00 0.81 O ATOM 74 CB GLN A 9 -8.974 0.998 -3.388 1.00 1.03 C ATOM 75 CG GLN A 9 -10.356 0.629 -3.902 1.00 1.27 C ATOM 76 CD GLN A 9 -10.308 -0.371 -5.040 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.965 -1.411 -4.996 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.527 -0.060 -6.068 1.00 2.59 N ATOM 0 H GLN A 9 -6.869 2.509 -2.261 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.502 3.085 -3.463 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -8.250 0.873 -4.194 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -8.693 0.304 -2.596 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -10.945 0.214 -3.084 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.867 1.531 -4.238 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -9.000 0.813 -6.062 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.454 -0.694 -6.863 1.00 2.59 H new ATOM 85 N ILE A 10 -10.495 3.230 -1.242 1.00 0.83 N ATOM 86 CA ILE A 10 -11.121 3.366 0.063 1.00 0.86 C ATOM 87 C ILE A 10 -12.508 2.732 0.053 1.00 1.02 C ATOM 88 O ILE A 10 -13.376 3.119 -0.729 1.00 1.23 O ATOM 89 CB ILE A 10 -11.198 4.856 0.494 1.00 0.96 C ATOM 90 CG1 ILE A 10 -10.293 5.090 1.712 1.00 1.21 C ATOM 91 CG2 ILE A 10 -12.636 5.294 0.781 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.029 5.163 3.032 1.00 1.19 C ATOM 0 H ILE A 10 -10.958 3.751 -1.986 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.505 2.841 0.793 1.00 0.86 H new ATOM 0 HB ILE A 10 -10.844 5.469 -0.334 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -9.558 4.286 1.763 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -9.740 6.018 1.566 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -12.644 6.342 1.079 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.241 5.167 -0.117 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.048 4.685 1.585 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -10.315 5.330 3.838 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.744 5.985 3.005 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.559 4.227 3.205 1.00 1.19 H new ATOM 96 N ALA A 11 -12.705 1.747 0.921 1.00 0.97 N ATOM 97 CA ALA A 11 -13.981 1.048 1.006 1.00 1.15 C ATOM 98 C ALA A 11 -14.517 1.046 2.433 1.00 1.15 C ATOM 99 O ALA A 11 -14.867 -0.003 2.974 1.00 1.32 O ATOM 100 CB ALA A 11 -13.832 -0.376 0.492 1.00 1.30 C ATOM 0 H ALA A 11 -11.997 1.414 1.576 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.700 1.578 0.381 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.791 -0.890 0.560 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.504 -0.355 -0.547 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.094 -0.905 1.095 1.00 1.30 H new ATOM 106 N THR A 12 -14.578 2.226 3.039 1.00 1.10 N ATOM 107 CA THR A 12 -15.072 2.353 4.404 1.00 1.29 C ATOM 108 C THR A 12 -16.531 2.792 4.417 1.00 1.72 C ATOM 109 O THR A 12 -16.858 3.909 4.018 1.00 2.07 O ATOM 110 CB THR A 12 -14.219 3.351 5.186 1.00 1.15 C ATOM 111 OG1 THR A 12 -13.691 4.344 4.326 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.057 2.702 5.907 1.00 1.29 C ATOM 0 H THR A 12 -14.293 3.105 2.608 1.00 1.10 H new ATOM 0 HA THR A 12 -15.003 1.375 4.881 1.00 1.29 H new ATOM 0 HB THR A 12 -14.889 3.789 5.926 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.412 4.722 3.781 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.491 3.463 6.443 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.434 1.964 6.615 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.408 2.210 5.182 1.00 1.29 H new ATOM 117 N GLU A 13 -17.405 1.903 4.879 1.00 2.10 N ATOM 118 CA GLU A 13 -18.832 2.195 4.949 1.00 2.62 C ATOM 119 C GLU A 13 -19.088 3.498 5.702 1.00 2.49 C ATOM 120 O GLU A 13 -20.096 4.169 5.477 1.00 2.85 O ATOM 121 CB GLU A 13 -19.575 1.042 5.630 1.00 3.24 C ATOM 122 CG GLU A 13 -20.588 0.355 4.730 1.00 3.89 C ATOM 123 CD GLU A 13 -21.698 -0.319 5.512 1.00 4.72 C ATOM 124 OE1 GLU A 13 -22.306 0.350 6.375 1.00 5.17 O ATOM 125 OE2 GLU A 13 -21.960 -1.514 5.262 1.00 5.27 O ATOM 0 H GLU A 13 -17.149 0.973 5.211 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.205 2.309 3.931 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -18.849 0.306 5.974 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.086 1.422 6.514 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.021 1.089 4.050 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.079 -0.387 4.116 1.00 3.89 H new ATOM 132 N ASN A 14 -18.168 3.851 6.594 1.00 2.26 N ATOM 133 CA ASN A 14 -18.292 5.074 7.377 1.00 2.51 C ATOM 134 C ASN A 14 -16.943 5.486 7.959 1.00 1.99 C ATOM 135 O ASN A 14 -16.363 4.771 8.775 1.00 1.78 O ATOM 136 CB ASN A 14 -19.313 4.879 8.503 1.00 3.10 C ATOM 137 CG ASN A 14 -20.528 5.771 8.342 1.00 3.79 C ATOM 138 OD1 ASN A 14 -20.523 6.929 8.763 1.00 4.30 O ATOM 139 ND2 ASN A 14 -21.579 5.236 7.732 1.00 4.18 N ATOM 0 H ASN A 14 -17.328 3.307 6.792 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.638 5.869 6.716 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.631 3.837 8.525 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -18.837 5.087 9.461 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -22.426 5.788 7.596 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.540 4.273 7.399 1.00 4.18 H new ATOM 144 N ILE A 15 -16.453 6.647 7.536 1.00 2.45 N ATOM 145 CA ILE A 15 -15.173 7.159 8.019 1.00 2.24 C ATOM 146 C ILE A 15 -15.315 8.578 8.558 1.00 1.60 C ATOM 147 O ILE A 15 -16.264 9.289 8.227 1.00 1.92 O ATOM 148 CB ILE A 15 -14.077 7.152 6.923 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.684 7.127 5.516 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.145 5.966 7.117 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.605 8.293 5.228 1.00 3.61 C ATOM 0 H ILE A 15 -16.921 7.251 6.861 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.866 6.486 8.819 1.00 2.24 H new ATOM 0 HB ILE A 15 -13.505 8.075 7.020 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.878 7.123 4.782 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.238 6.197 5.386 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.380 5.973 6.340 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.669 6.033 8.095 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.717 5.040 7.054 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.996 8.206 4.214 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.432 8.287 5.937 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.051 9.227 5.325 1.00 3.61 H new ATOM 155 N GLU A 16 -14.357 8.986 9.383 1.00 1.45 N ATOM 156 CA GLU A 16 -14.365 10.325 9.959 1.00 1.67 C ATOM 157 C GLU A 16 -14.106 11.367 8.875 1.00 1.94 C ATOM 158 O GLU A 16 -14.506 12.525 9.000 1.00 2.67 O ATOM 159 CB GLU A 16 -13.309 10.436 11.063 1.00 2.11 C ATOM 160 CG GLU A 16 -13.894 10.698 12.440 1.00 3.11 C ATOM 161 CD GLU A 16 -13.771 12.151 12.859 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.813 12.817 12.415 1.00 4.13 O ATOM 163 OE2 GLU A 16 -14.633 12.621 13.630 1.00 4.53 O ATOM 0 H GLU A 16 -13.566 8.409 9.668 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.346 10.510 10.396 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.729 9.514 11.093 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -12.617 11.240 10.813 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -14.945 10.410 12.445 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -13.388 10.069 13.172 1.00 3.11 H new ATOM 170 N GLY A 17 -13.432 10.942 7.810 1.00 1.95 N ATOM 171 CA GLY A 17 -13.127 11.837 6.711 1.00 2.86 C ATOM 172 C GLY A 17 -12.566 11.095 5.515 1.00 2.74 C ATOM 173 O GLY A 17 -11.359 10.875 5.423 1.00 3.16 O ATOM 0 H GLY A 17 -13.091 9.988 7.690 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -14.031 12.370 6.416 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.409 12.587 7.042 1.00 2.86 H new ATOM 177 N LEU A 18 -13.445 10.704 4.597 1.00 2.64 N ATOM 178 CA LEU A 18 -13.029 9.977 3.402 1.00 2.63 C ATOM 179 C LEU A 18 -11.900 10.713 2.688 1.00 2.01 C ATOM 180 O LEU A 18 -11.976 11.922 2.471 1.00 2.22 O ATOM 181 CB LEU A 18 -14.207 9.795 2.448 1.00 3.46 C ATOM 182 CG LEU A 18 -15.034 11.056 2.208 1.00 3.97 C ATOM 183 CD1 LEU A 18 -14.676 11.678 0.867 1.00 4.46 C ATOM 184 CD2 LEU A 18 -16.520 10.738 2.281 1.00 4.91 C ATOM 0 H LEU A 18 -14.448 10.878 4.657 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.669 8.997 3.714 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.829 9.437 1.490 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.861 9.018 2.844 1.00 3.46 H new ATOM 0 HG LEU A 18 -14.803 11.779 2.990 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -15.274 12.576 0.711 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -13.618 11.941 0.859 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.879 10.964 0.069 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -17.096 11.647 2.108 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -16.772 9.999 1.520 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -16.759 10.340 3.267 1.00 4.91 H new ATOM 190 N PRO A 19 -10.826 9.996 2.327 1.00 1.58 N ATOM 191 CA PRO A 19 -9.675 10.582 1.656 1.00 1.46 C ATOM 192 C PRO A 19 -9.775 10.514 0.135 1.00 1.48 C ATOM 193 O PRO A 19 -10.704 9.919 -0.412 1.00 2.32 O ATOM 194 CB PRO A 19 -8.552 9.692 2.159 1.00 1.63 C ATOM 195 CG PRO A 19 -9.169 8.336 2.237 1.00 1.84 C ATOM 196 CD PRO A 19 -10.630 8.551 2.559 1.00 1.84 C ATOM 0 HA PRO A 19 -9.555 11.645 1.866 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.700 9.704 1.480 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.188 10.021 3.132 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.054 7.802 1.294 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -8.686 7.733 3.006 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.275 7.951 1.917 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.859 8.275 3.588 1.00 1.84 H new ATOM 204 N THR A 20 -8.807 11.125 -0.541 1.00 1.19 N ATOM 205 CA THR A 20 -8.776 11.134 -1.999 1.00 1.25 C ATOM 206 C THR A 20 -7.427 10.635 -2.511 1.00 1.21 C ATOM 207 O THR A 20 -6.374 11.111 -2.085 1.00 1.19 O ATOM 208 CB THR A 20 -9.059 12.542 -2.533 1.00 1.39 C ATOM 209 OG1 THR A 20 -8.577 12.687 -3.858 1.00 1.78 O ATOM 210 CG2 THR A 20 -8.439 13.642 -1.696 1.00 2.03 C ATOM 0 H THR A 20 -8.032 11.621 -0.101 1.00 1.19 H new ATOM 0 HA THR A 20 -9.554 10.462 -2.361 1.00 1.25 H new ATOM 0 HB THR A 20 -10.143 12.647 -2.494 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.770 13.593 -4.179 1.00 1.78 H new ATOM 0 HG21 THR A 20 -8.680 14.611 -2.133 1.00 2.03 H new ATOM 0 HG22 THR A 20 -8.833 13.593 -0.681 1.00 2.03 H new ATOM 0 HG23 THR A 20 -7.357 13.514 -1.671 1.00 2.03 H new ATOM 215 N GLU A 21 -7.468 9.668 -3.423 1.00 1.30 N ATOM 216 CA GLU A 21 -6.254 9.089 -3.992 1.00 1.28 C ATOM 217 C GLU A 21 -5.327 10.158 -4.557 1.00 1.19 C ATOM 218 O GLU A 21 -4.133 10.160 -4.271 1.00 1.10 O ATOM 219 CB GLU A 21 -6.607 8.079 -5.084 1.00 1.44 C ATOM 220 CG GLU A 21 -7.724 8.539 -6.008 1.00 1.56 C ATOM 221 CD GLU A 21 -7.271 8.679 -7.449 1.00 1.94 C ATOM 222 OE1 GLU A 21 -6.061 8.895 -7.672 1.00 2.04 O ATOM 223 OE2 GLU A 21 -8.125 8.572 -8.354 1.00 2.54 O ATOM 0 H GLU A 21 -8.333 9.267 -3.786 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.727 8.581 -3.184 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.717 7.875 -5.679 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.899 7.139 -4.616 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.548 7.827 -5.958 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -8.109 9.497 -5.658 1.00 1.56 H new ATOM 230 N GLU A 22 -5.872 11.064 -5.364 1.00 1.24 N ATOM 231 CA GLU A 22 -5.070 12.126 -5.972 1.00 1.18 C ATOM 232 C GLU A 22 -4.133 12.766 -4.950 1.00 1.05 C ATOM 233 O GLU A 22 -2.917 12.828 -5.159 1.00 0.99 O ATOM 234 CB GLU A 22 -5.982 13.193 -6.581 1.00 1.26 C ATOM 235 CG GLU A 22 -6.787 12.696 -7.771 1.00 1.93 C ATOM 236 CD GLU A 22 -6.130 13.021 -9.098 1.00 2.47 C ATOM 237 OE1 GLU A 22 -5.043 12.471 -9.373 1.00 3.23 O ATOM 238 OE2 GLU A 22 -6.702 13.826 -9.863 1.00 2.76 O ATOM 0 H GLU A 22 -6.861 11.086 -5.612 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.462 11.679 -6.759 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.667 13.554 -5.814 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.375 14.043 -6.893 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -6.919 11.617 -7.690 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.781 13.142 -7.744 1.00 1.93 H new ATOM 245 N GLN A 23 -4.701 13.228 -3.841 1.00 1.02 N ATOM 246 CA GLN A 23 -3.915 13.854 -2.785 1.00 0.93 C ATOM 247 C GLN A 23 -2.862 12.890 -2.249 1.00 0.82 C ATOM 248 O GLN A 23 -1.665 13.090 -2.452 1.00 0.77 O ATOM 249 CB GLN A 23 -4.828 14.317 -1.648 1.00 0.99 C ATOM 250 CG GLN A 23 -4.507 15.712 -1.138 1.00 0.97 C ATOM 251 CD GLN A 23 -3.115 15.810 -0.545 1.00 1.14 C ATOM 252 OE1 GLN A 23 -2.152 15.281 -1.101 1.00 2.08 O ATOM 253 NE2 GLN A 23 -3.003 16.488 0.591 1.00 1.09 N ATOM 0 H GLN A 23 -5.702 13.181 -3.651 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.406 14.721 -3.208 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.862 14.294 -1.992 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.751 13.611 -0.821 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.600 16.425 -1.957 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.240 15.997 -0.383 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.828 16.910 1.017 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -2.092 16.587 1.038 1.00 1.09 H new ATOM 260 N ILE A 24 -3.317 11.841 -1.570 1.00 0.83 N ATOM 261 CA ILE A 24 -2.417 10.837 -1.004 1.00 0.74 C ATOM 262 C ILE A 24 -1.431 10.328 -2.049 1.00 0.69 C ATOM 263 O ILE A 24 -0.217 10.484 -1.906 1.00 0.67 O ATOM 264 CB ILE A 24 -3.206 9.639 -0.437 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.287 10.126 0.532 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.266 8.657 0.252 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.682 9.692 0.142 1.00 1.43 C ATOM 0 H ILE A 24 -4.306 11.662 -1.397 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.868 11.322 -0.197 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.692 9.120 -1.263 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.064 9.752 1.531 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.254 11.214 0.584 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.841 7.819 0.646 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.533 8.289 -0.467 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.751 9.160 1.070 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.398 10.071 0.871 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.924 10.088 -0.844 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.731 8.603 0.118 1.00 1.43 H new ATOM 271 N VAL A 25 -1.968 9.721 -3.102 1.00 0.77 N ATOM 272 CA VAL A 25 -1.156 9.182 -4.186 1.00 0.77 C ATOM 273 C VAL A 25 -0.081 10.176 -4.617 1.00 0.74 C ATOM 274 O VAL A 25 1.112 9.887 -4.527 1.00 0.73 O ATOM 275 CB VAL A 25 -2.036 8.813 -5.402 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.189 8.472 -6.619 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.965 7.658 -5.051 1.00 1.45 C ATOM 0 H VAL A 25 -2.972 9.589 -3.228 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.670 8.281 -3.811 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.640 9.684 -5.656 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.840 8.217 -7.455 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.574 9.331 -6.886 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.546 7.623 -6.388 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.579 7.409 -5.917 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.373 6.789 -4.764 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.609 7.948 -4.221 1.00 1.45 H new ATOM 281 N GLN A 26 -0.509 11.343 -5.085 1.00 0.76 N ATOM 282 CA GLN A 26 0.425 12.371 -5.531 1.00 0.77 C ATOM 283 C GLN A 26 1.410 12.738 -4.422 1.00 0.72 C ATOM 284 O GLN A 26 2.623 12.669 -4.606 1.00 0.71 O ATOM 285 CB GLN A 26 -0.337 13.617 -5.984 1.00 0.85 C ATOM 286 CG GLN A 26 0.479 14.541 -6.873 1.00 0.94 C ATOM 287 CD GLN A 26 0.283 16.004 -6.528 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.535 16.692 -7.139 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.034 16.486 -5.545 1.00 2.19 N ATOM 0 H GLN A 26 -1.493 11.601 -5.165 1.00 0.76 H new ATOM 0 HA GLN A 26 0.990 11.970 -6.372 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.234 13.309 -6.521 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.667 14.170 -5.105 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.535 14.288 -6.781 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.201 14.377 -7.914 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.699 15.879 -5.066 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.946 17.464 -5.268 1.00 2.19 H new ATOM 296 N TRP A 27 0.879 13.134 -3.272 1.00 0.74 N ATOM 297 CA TRP A 27 1.712 13.522 -2.138 1.00 0.76 C ATOM 298 C TRP A 27 2.799 12.480 -1.857 1.00 0.69 C ATOM 299 O TRP A 27 3.992 12.781 -1.940 1.00 0.67 O ATOM 300 CB TRP A 27 0.818 13.745 -0.904 1.00 0.92 C ATOM 301 CG TRP A 27 1.425 13.339 0.408 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.188 12.183 1.094 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.351 14.093 1.199 1.00 0.79 C ATOM 304 NE1 TRP A 27 1.910 12.171 2.261 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.633 13.330 2.349 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.972 15.337 1.048 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.507 13.771 3.340 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.840 15.773 2.033 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.100 14.990 3.166 1.00 0.87 C ATOM 0 H TRP A 27 -0.124 13.195 -3.099 1.00 0.74 H new ATOM 0 HA TRP A 27 2.225 14.453 -2.379 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.554 14.801 -0.853 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.110 13.191 -1.043 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.529 11.393 0.766 1.00 1.06 H new ATOM 0 HE1 TRP A 27 1.908 11.420 2.951 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.777 15.946 0.178 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.709 13.171 4.215 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.325 16.732 1.927 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.783 15.358 3.917 1.00 0.87 H new ATOM 320 N ALA A 28 2.393 11.260 -1.527 1.00 0.70 N ATOM 321 CA ALA A 28 3.355 10.205 -1.230 1.00 0.72 C ATOM 322 C ALA A 28 3.940 9.589 -2.499 1.00 0.68 C ATOM 323 O ALA A 28 5.073 9.893 -2.880 1.00 0.73 O ATOM 324 CB ALA A 28 2.702 9.134 -0.371 1.00 0.78 C ATOM 0 H ALA A 28 1.415 10.978 -1.459 1.00 0.70 H new ATOM 0 HA ALA A 28 4.182 10.655 -0.680 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.427 8.350 -0.154 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.356 9.577 0.563 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.854 8.706 -0.905 1.00 0.78 H new ATOM 330 N THR A 29 3.169 8.721 -3.144 1.00 0.63 N ATOM 331 CA THR A 29 3.618 8.055 -4.365 1.00 0.67 C ATOM 332 C THR A 29 4.137 9.059 -5.396 1.00 0.64 C ATOM 333 O THR A 29 5.154 8.820 -6.051 1.00 0.72 O ATOM 334 CB THR A 29 2.485 7.219 -4.967 1.00 0.69 C ATOM 335 OG1 THR A 29 1.315 7.307 -4.171 1.00 1.02 O ATOM 336 CG2 THR A 29 2.838 5.752 -5.104 1.00 0.74 C ATOM 0 H THR A 29 2.230 8.461 -2.843 1.00 0.63 H new ATOM 0 HA THR A 29 4.443 7.395 -4.095 1.00 0.67 H new ATOM 0 HB THR A 29 2.315 7.633 -5.961 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.242 6.509 -3.607 1.00 1.02 H new ATOM 0 HG21 THR A 29 1.995 5.214 -5.536 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.707 5.646 -5.753 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.066 5.339 -4.121 1.00 0.74 H new ATOM 341 N GLY A 30 3.433 10.179 -5.539 1.00 0.60 N ATOM 342 CA GLY A 30 3.845 11.190 -6.495 1.00 0.64 C ATOM 343 C GLY A 30 5.224 11.741 -6.200 1.00 0.66 C ATOM 344 O GLY A 30 5.992 12.022 -7.119 1.00 0.72 O ATOM 0 H GLY A 30 2.589 10.403 -5.012 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.835 10.762 -7.498 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.123 12.006 -6.489 1.00 0.64 H new ATOM 348 N ALA A 31 5.547 11.893 -4.916 1.00 0.65 N ATOM 349 CA ALA A 31 6.852 12.409 -4.520 1.00 0.73 C ATOM 350 C ALA A 31 7.940 11.345 -4.676 1.00 0.75 C ATOM 351 O ALA A 31 9.128 11.639 -4.554 1.00 0.83 O ATOM 352 CB ALA A 31 6.807 12.911 -3.086 1.00 0.82 C ATOM 0 H ALA A 31 4.926 11.667 -4.139 1.00 0.65 H new ATOM 0 HA ALA A 31 7.099 13.241 -5.179 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.788 13.293 -2.803 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.069 13.709 -3.003 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.532 12.091 -2.422 1.00 0.82 H new ATOM 358 N VAL A 32 7.525 10.106 -4.936 1.00 0.76 N ATOM 359 CA VAL A 32 8.466 8.998 -5.094 1.00 0.87 C ATOM 360 C VAL A 32 9.133 8.993 -6.465 1.00 0.91 C ATOM 361 O VAL A 32 10.354 9.119 -6.573 1.00 1.03 O ATOM 362 CB VAL A 32 7.773 7.639 -4.903 1.00 1.04 C ATOM 363 CG1 VAL A 32 8.801 6.523 -4.791 1.00 1.07 C ATOM 364 CG2 VAL A 32 6.866 7.670 -3.688 1.00 1.23 C ATOM 0 H VAL A 32 6.545 9.844 -5.042 1.00 0.76 H new ATOM 0 HA VAL A 32 9.224 9.147 -4.325 1.00 0.87 H new ATOM 0 HB VAL A 32 7.156 7.439 -5.779 1.00 1.04 H new ATOM 0 HG11 VAL A 32 8.290 5.570 -4.656 1.00 1.07 H new ATOM 0 HG12 VAL A 32 9.401 6.488 -5.701 1.00 1.07 H new ATOM 0 HG13 VAL A 32 9.450 6.711 -3.936 1.00 1.07 H new ATOM 0 HG21 VAL A 32 6.384 6.700 -3.569 1.00 1.23 H new ATOM 0 HG22 VAL A 32 7.456 7.894 -2.799 1.00 1.23 H new ATOM 0 HG23 VAL A 32 6.105 8.439 -3.822 1.00 1.23 H new ATOM 368 N GLN A 33 8.328 8.816 -7.507 1.00 0.90 N ATOM 369 CA GLN A 33 8.838 8.754 -8.875 1.00 1.04 C ATOM 370 C GLN A 33 8.309 9.896 -9.743 1.00 1.07 C ATOM 371 O GLN A 33 7.891 9.670 -10.880 1.00 1.22 O ATOM 372 CB GLN A 33 8.479 7.410 -9.510 1.00 1.22 C ATOM 373 CG GLN A 33 8.709 6.221 -8.593 1.00 1.37 C ATOM 374 CD GLN A 33 10.169 5.818 -8.518 1.00 1.19 C ATOM 375 OE1 GLN A 33 10.687 5.145 -9.409 1.00 1.67 O ATOM 376 NE2 GLN A 33 10.843 6.229 -7.449 1.00 1.88 N ATOM 0 H GLN A 33 7.316 8.712 -7.431 1.00 0.90 H new ATOM 0 HA GLN A 33 9.922 8.858 -8.820 1.00 1.04 H new ATOM 0 HB2 GLN A 33 7.431 7.428 -9.811 1.00 1.22 H new ATOM 0 HB3 GLN A 33 9.069 7.278 -10.417 1.00 1.22 H new ATOM 0 HG2 GLN A 33 8.351 6.463 -7.593 1.00 1.37 H new ATOM 0 HG3 GLN A 33 8.120 5.375 -8.946 1.00 1.37 H new ATOM 0 HE21 GLN A 33 10.375 6.785 -6.734 1.00 1.88 H new ATOM 0 HE22 GLN A 33 11.829 5.988 -7.344 1.00 1.88 H new ATOM 383 N PRO A 34 8.317 11.143 -9.238 1.00 1.04 N ATOM 384 CA PRO A 34 7.834 12.294 -10.003 1.00 1.23 C ATOM 385 C PRO A 34 8.513 12.387 -11.365 1.00 1.50 C ATOM 386 O PRO A 34 7.853 12.547 -12.392 1.00 1.84 O ATOM 387 CB PRO A 34 8.196 13.504 -9.128 1.00 1.29 C ATOM 388 CG PRO A 34 9.142 12.988 -8.096 1.00 1.15 C ATOM 389 CD PRO A 34 8.814 11.535 -7.912 1.00 0.96 C ATOM 0 HA PRO A 34 6.766 12.228 -10.213 1.00 1.23 H new ATOM 0 HB2 PRO A 34 8.657 14.293 -9.722 1.00 1.29 H new ATOM 0 HB3 PRO A 34 7.307 13.932 -8.665 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.176 13.115 -8.418 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.030 13.533 -7.159 1.00 1.15 H new ATOM 0 HD2 PRO A 34 9.691 10.956 -7.621 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.062 11.385 -7.138 1.00 0.96 H new ATOM 397 N GLU A 35 9.838 12.273 -11.366 1.00 1.43 N ATOM 398 CA GLU A 35 10.614 12.329 -12.599 1.00 1.69 C ATOM 399 C GLU A 35 11.352 11.013 -12.832 1.00 1.95 C ATOM 400 O GLU A 35 12.451 10.996 -13.385 1.00 2.55 O ATOM 401 CB GLU A 35 11.614 13.485 -12.546 1.00 1.58 C ATOM 402 CG GLU A 35 10.971 14.855 -12.696 1.00 2.20 C ATOM 403 CD GLU A 35 11.968 15.928 -13.086 1.00 2.95 C ATOM 404 OE1 GLU A 35 12.824 15.656 -13.955 1.00 3.47 O ATOM 405 OE2 GLU A 35 11.893 17.041 -12.523 1.00 3.53 O ATOM 0 H GLU A 35 10.397 12.141 -10.523 1.00 1.43 H new ATOM 0 HA GLU A 35 9.925 12.494 -13.428 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.151 13.447 -11.598 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.353 13.351 -13.336 1.00 1.58 H new ATOM 0 HG2 GLU A 35 10.186 14.803 -13.450 1.00 2.20 H new ATOM 0 HG3 GLU A 35 10.493 15.133 -11.757 1.00 2.20 H new ATOM 412 N GLY A 36 10.744 9.912 -12.395 1.00 1.77 N ATOM 413 CA GLY A 36 11.366 8.609 -12.555 1.00 2.19 C ATOM 414 C GLY A 36 10.700 7.760 -13.622 1.00 1.74 C ATOM 415 O GLY A 36 10.129 8.285 -14.579 1.00 1.77 O ATOM 0 H GLY A 36 9.834 9.899 -11.934 1.00 1.77 H new ATOM 0 HA2 GLY A 36 12.417 8.743 -12.809 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.334 8.078 -11.604 1.00 2.19 H new ATOM 419 N ASN A 37 10.782 6.442 -13.459 1.00 2.06 N ATOM 420 CA ASN A 37 10.192 5.508 -14.413 1.00 2.08 C ATOM 421 C ASN A 37 8.766 5.135 -14.015 1.00 1.73 C ATOM 422 O ASN A 37 8.242 5.625 -13.013 1.00 1.94 O ATOM 423 CB ASN A 37 11.050 4.246 -14.517 1.00 3.12 C ATOM 424 CG ASN A 37 11.080 3.682 -15.924 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.468 4.366 -16.871 1.00 4.50 O ATOM 426 ND2 ASN A 37 10.672 2.426 -16.067 1.00 4.34 N ATOM 0 H ASN A 37 11.253 5.996 -12.672 1.00 2.06 H new ATOM 0 HA ASN A 37 10.156 6.001 -15.384 1.00 2.08 H new ATOM 0 HB2 ASN A 37 12.067 4.474 -14.198 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.664 3.490 -13.834 1.00 3.12 H new ATOM 0 HD21 ASN A 37 10.672 1.992 -16.990 1.00 4.34 H new ATOM 0 HD22 ASN A 37 10.359 1.896 -15.254 1.00 4.34 H new ATOM 431 N GLU A 38 8.144 4.270 -14.809 1.00 1.77 N ATOM 432 CA GLU A 38 6.777 3.832 -14.548 1.00 1.76 C ATOM 433 C GLU A 38 6.728 2.817 -13.409 1.00 1.90 C ATOM 434 O GLU A 38 7.679 2.067 -13.190 1.00 2.28 O ATOM 435 CB GLU A 38 6.165 3.225 -15.813 1.00 2.18 C ATOM 436 CG GLU A 38 4.693 2.879 -15.674 1.00 2.12 C ATOM 437 CD GLU A 38 4.198 1.977 -16.788 1.00 2.42 C ATOM 438 OE1 GLU A 38 4.863 1.920 -17.844 1.00 2.81 O ATOM 439 OE2 GLU A 38 3.146 1.329 -16.604 1.00 2.88 O ATOM 0 H GLU A 38 8.566 3.857 -15.641 1.00 1.77 H new ATOM 0 HA GLU A 38 6.197 4.706 -14.251 1.00 1.76 H new ATOM 0 HB2 GLU A 38 6.288 3.927 -16.638 1.00 2.18 H new ATOM 0 HB3 GLU A 38 6.718 2.323 -16.077 1.00 2.18 H new ATOM 0 HG2 GLU A 38 4.528 2.389 -14.714 1.00 2.12 H new ATOM 0 HG3 GLU A 38 4.107 3.798 -15.668 1.00 2.12 H new ATOM 446 N VAL A 39 5.607 2.799 -12.690 1.00 1.79 N ATOM 447 CA VAL A 39 5.426 1.875 -11.573 1.00 2.04 C ATOM 448 C VAL A 39 3.961 1.463 -11.444 1.00 1.58 C ATOM 449 O VAL A 39 3.086 2.054 -12.073 1.00 1.86 O ATOM 450 CB VAL A 39 5.893 2.499 -10.240 1.00 2.80 C ATOM 451 CG1 VAL A 39 6.173 1.416 -9.209 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.124 3.368 -10.451 1.00 3.20 C ATOM 0 H VAL A 39 4.811 3.414 -12.861 1.00 1.79 H new ATOM 0 HA VAL A 39 6.036 0.997 -11.783 1.00 2.04 H new ATOM 0 HB VAL A 39 5.090 3.132 -9.863 1.00 2.80 H new ATOM 0 HG11 VAL A 39 6.501 1.877 -8.277 1.00 3.56 H new ATOM 0 HG12 VAL A 39 5.265 0.841 -9.030 1.00 3.56 H new ATOM 0 HG13 VAL A 39 6.955 0.753 -9.581 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.434 3.797 -9.498 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.933 2.760 -10.856 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.888 4.170 -11.150 1.00 3.20 H new ATOM 456 N GLU A 40 3.697 0.445 -10.628 1.00 1.19 N ATOM 457 CA GLU A 40 2.334 -0.037 -10.424 1.00 0.87 C ATOM 458 C GLU A 40 2.098 -0.396 -8.960 1.00 0.72 C ATOM 459 O GLU A 40 2.380 -1.518 -8.532 1.00 0.71 O ATOM 460 CB GLU A 40 2.062 -1.254 -11.312 1.00 0.85 C ATOM 461 CG GLU A 40 0.605 -1.688 -11.320 1.00 0.98 C ATOM 462 CD GLU A 40 0.376 -2.978 -10.556 1.00 1.62 C ATOM 463 OE1 GLU A 40 1.300 -3.816 -10.514 1.00 2.10 O ATOM 464 OE2 GLU A 40 -0.729 -3.150 -9.999 1.00 2.29 O ATOM 0 H GLU A 40 4.407 -0.061 -10.099 1.00 1.19 H new ATOM 0 HA GLU A 40 1.647 0.763 -10.698 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.370 -1.025 -12.332 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.678 -2.086 -10.972 1.00 0.85 H new ATOM 0 HG2 GLU A 40 -0.008 -0.899 -10.885 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.274 -1.817 -12.350 1.00 0.98 H new ATOM 471 N MET A 41 1.588 0.566 -8.192 1.00 0.77 N ATOM 472 CA MET A 41 1.329 0.350 -6.770 1.00 0.73 C ATOM 473 C MET A 41 -0.140 0.578 -6.422 1.00 0.68 C ATOM 474 O MET A 41 -0.579 1.711 -6.234 1.00 0.72 O ATOM 475 CB MET A 41 2.213 1.275 -5.929 1.00 0.88 C ATOM 476 CG MET A 41 2.175 0.973 -4.438 1.00 1.06 C ATOM 477 SD MET A 41 2.767 2.351 -3.435 1.00 1.42 S ATOM 478 CE MET A 41 4.129 1.582 -2.560 1.00 1.11 C ATOM 0 H MET A 41 1.347 1.498 -8.529 1.00 0.77 H new ATOM 0 HA MET A 41 1.568 -0.689 -6.544 1.00 0.73 H new ATOM 0 HB2 MET A 41 3.242 1.197 -6.280 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.899 2.306 -6.089 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.153 0.729 -4.147 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.784 0.092 -4.234 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.527 2.279 -1.823 1.00 1.11 H new ATOM 0 HE2 MET A 41 3.776 0.683 -2.056 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.913 1.316 -3.269 1.00 1.11 H new ATOM 488 N THR A 42 -0.895 -0.510 -6.322 1.00 0.81 N ATOM 489 CA THR A 42 -2.309 -0.424 -5.980 1.00 0.79 C ATOM 490 C THR A 42 -2.523 -0.765 -4.508 1.00 0.77 C ATOM 491 O THR A 42 -1.923 -1.704 -3.988 1.00 1.11 O ATOM 492 CB THR A 42 -3.129 -1.364 -6.864 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.839 -1.145 -8.233 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.623 -1.206 -6.681 1.00 1.61 C ATOM 0 H THR A 42 -0.553 -1.459 -6.472 1.00 0.81 H new ATOM 0 HA THR A 42 -2.644 0.599 -6.153 1.00 0.79 H new ATOM 0 HB THR A 42 -2.846 -2.370 -6.556 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.372 -1.757 -8.782 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.146 -1.902 -7.337 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.887 -1.417 -5.645 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.914 -0.185 -6.929 1.00 1.61 H new ATOM 499 N VAL A 43 -3.375 0.005 -3.839 1.00 0.65 N ATOM 500 CA VAL A 43 -3.653 -0.223 -2.426 1.00 0.64 C ATOM 501 C VAL A 43 -5.129 -0.014 -2.108 1.00 0.58 C ATOM 502 O VAL A 43 -5.803 0.802 -2.738 1.00 0.71 O ATOM 503 CB VAL A 43 -2.811 0.703 -1.529 1.00 0.75 C ATOM 504 CG1 VAL A 43 -1.354 0.269 -1.531 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.945 2.151 -1.979 1.00 1.51 C ATOM 0 H VAL A 43 -3.882 0.788 -4.250 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.386 -1.259 -2.220 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.186 0.628 -0.508 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -0.775 0.935 -0.892 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -1.278 -0.751 -1.155 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -0.963 0.311 -2.548 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.343 2.790 -1.333 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -2.598 2.246 -3.008 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -3.990 2.456 -1.919 1.00 1.51 H new ATOM 509 N ARG A 44 -5.625 -0.757 -1.124 1.00 0.55 N ATOM 510 CA ARG A 44 -7.019 -0.657 -0.716 1.00 0.54 C ATOM 511 C ARG A 44 -7.154 -0.776 0.799 1.00 0.57 C ATOM 512 O ARG A 44 -6.476 -1.588 1.431 1.00 0.69 O ATOM 513 CB ARG A 44 -7.852 -1.744 -1.400 1.00 0.61 C ATOM 514 CG ARG A 44 -9.345 -1.623 -1.139 1.00 1.19 C ATOM 515 CD ARG A 44 -9.973 -2.975 -0.839 1.00 1.98 C ATOM 516 NE ARG A 44 -11.382 -3.022 -1.222 1.00 2.48 N ATOM 517 CZ ARG A 44 -12.166 -4.083 -1.041 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.682 -5.186 -0.485 1.00 3.54 N ATOM 519 NH2 ARG A 44 -13.436 -4.039 -1.419 1.00 3.77 N ATOM 0 H ARG A 44 -5.079 -1.436 -0.594 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.390 0.322 -1.020 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.675 -1.703 -2.475 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.510 -2.721 -1.058 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.515 -0.948 -0.300 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.832 -1.180 -2.008 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.427 -3.754 -1.371 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.879 -3.190 0.226 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.790 -2.193 -1.654 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -10.705 -5.224 -0.194 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.287 -5.996 -0.349 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -13.811 -3.193 -1.848 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -14.038 -4.851 -1.281 1.00 3.77 H new ATOM 533 N ILE A 45 -8.035 0.033 1.377 1.00 0.55 N ATOM 534 CA ILE A 45 -8.258 0.010 2.818 1.00 0.61 C ATOM 535 C ILE A 45 -9.729 -0.239 3.138 1.00 0.59 C ATOM 536 O ILE A 45 -10.555 0.670 3.060 1.00 0.60 O ATOM 537 CB ILE A 45 -7.812 1.323 3.489 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.344 2.530 2.714 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.296 1.380 3.602 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.463 2.963 1.557 1.00 0.63 C ATOM 0 H ILE A 45 -8.605 0.711 0.871 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.654 -0.806 3.215 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.229 1.353 4.496 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -9.337 2.293 2.331 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.459 3.368 3.402 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.002 2.315 4.079 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -5.944 0.541 4.202 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -5.855 1.325 2.607 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.911 3.824 1.061 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.476 3.234 1.933 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.368 2.143 0.845 1.00 0.63 H new ATOM 544 N VAL A 46 -10.051 -1.477 3.495 1.00 0.63 N ATOM 545 CA VAL A 46 -11.422 -1.845 3.822 1.00 0.63 C ATOM 546 C VAL A 46 -11.493 -2.574 5.161 1.00 0.64 C ATOM 547 O VAL A 46 -10.487 -3.080 5.657 1.00 0.68 O ATOM 548 CB VAL A 46 -12.036 -2.731 2.718 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.273 -4.042 2.592 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.512 -2.986 2.988 1.00 1.52 C ATOM 0 H VAL A 46 -9.381 -2.243 3.565 1.00 0.63 H new ATOM 0 HA VAL A 46 -11.996 -0.921 3.894 1.00 0.63 H new ATOM 0 HB VAL A 46 -11.953 -2.199 1.770 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.723 -4.651 1.808 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.233 -3.835 2.339 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.316 -4.580 3.539 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.924 -3.613 2.197 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.624 -3.492 3.947 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.047 -2.036 3.014 1.00 1.52 H new ATOM 554 N ASP A 47 -12.690 -2.618 5.745 1.00 0.66 N ATOM 555 CA ASP A 47 -12.900 -3.279 7.032 1.00 0.71 C ATOM 556 C ASP A 47 -12.269 -4.670 7.058 1.00 0.74 C ATOM 557 O ASP A 47 -11.756 -5.153 6.049 1.00 0.81 O ATOM 558 CB ASP A 47 -14.395 -3.383 7.336 1.00 0.75 C ATOM 559 CG ASP A 47 -14.948 -2.116 7.958 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.198 -1.438 8.691 1.00 1.88 O ATOM 561 OD2 ASP A 47 -16.132 -1.800 7.712 1.00 2.11 O ATOM 0 H ASP A 47 -13.531 -2.202 5.345 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.415 -2.673 7.797 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.936 -3.598 6.415 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.568 -4.221 8.011 1.00 0.75 H new ATOM 566 N GLU A 48 -12.308 -5.303 8.227 1.00 0.76 N ATOM 567 CA GLU A 48 -11.739 -6.634 8.401 1.00 0.82 C ATOM 568 C GLU A 48 -12.549 -7.691 7.653 1.00 0.79 C ATOM 569 O GLU A 48 -12.059 -8.305 6.706 1.00 0.83 O ATOM 570 CB GLU A 48 -11.678 -6.986 9.890 1.00 0.92 C ATOM 571 CG GLU A 48 -10.576 -7.973 10.239 1.00 1.39 C ATOM 572 CD GLU A 48 -10.113 -7.849 11.678 1.00 1.59 C ATOM 573 OE1 GLU A 48 -10.787 -7.146 12.461 1.00 1.81 O ATOM 574 OE2 GLU A 48 -9.076 -8.454 12.022 1.00 2.30 O ATOM 0 H GLU A 48 -12.729 -4.913 9.070 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.731 -6.624 7.985 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.530 -6.072 10.465 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -12.638 -7.403 10.195 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -10.933 -8.988 10.063 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.727 -7.814 9.574 1.00 1.39 H new ATOM 581 N ALA A 49 -13.788 -7.902 8.090 1.00 0.86 N ATOM 582 CA ALA A 49 -14.666 -8.890 7.471 1.00 0.89 C ATOM 583 C ALA A 49 -14.723 -8.729 5.955 1.00 0.83 C ATOM 584 O ALA A 49 -14.596 -9.703 5.211 1.00 0.80 O ATOM 585 CB ALA A 49 -16.063 -8.795 8.064 1.00 0.99 C ATOM 0 H ALA A 49 -14.207 -7.400 8.873 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.252 -9.876 7.681 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.709 -9.537 7.594 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.016 -8.982 9.137 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.467 -7.798 7.886 1.00 0.99 H new ATOM 591 N GLU A 50 -14.917 -7.497 5.505 1.00 0.87 N ATOM 592 CA GLU A 50 -14.997 -7.205 4.077 1.00 0.88 C ATOM 593 C GLU A 50 -13.771 -7.730 3.336 1.00 0.84 C ATOM 594 O GLU A 50 -13.883 -8.594 2.468 1.00 0.85 O ATOM 595 CB GLU A 50 -15.138 -5.700 3.848 1.00 0.98 C ATOM 596 CG GLU A 50 -16.300 -5.331 2.942 1.00 1.52 C ATOM 597 CD GLU A 50 -17.501 -4.819 3.713 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.416 -3.704 4.272 1.00 2.17 O ATOM 599 OE2 GLU A 50 -18.526 -5.531 3.760 1.00 1.85 O ATOM 0 H GLU A 50 -15.022 -6.681 6.108 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.878 -7.711 3.683 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.266 -5.205 4.810 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.214 -5.318 3.414 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.976 -4.569 2.234 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.593 -6.204 2.359 1.00 1.52 H new ATOM 606 N SER A 51 -12.599 -7.204 3.684 1.00 0.87 N ATOM 607 CA SER A 51 -11.351 -7.624 3.051 1.00 0.92 C ATOM 608 C SER A 51 -11.220 -9.143 3.063 1.00 0.84 C ATOM 609 O SER A 51 -11.078 -9.778 2.016 1.00 0.83 O ATOM 610 CB SER A 51 -10.154 -6.998 3.770 1.00 1.04 C ATOM 611 OG SER A 51 -10.050 -7.479 5.099 1.00 1.90 O ATOM 0 H SER A 51 -12.487 -6.487 4.400 1.00 0.87 H new ATOM 0 HA SER A 51 -11.367 -7.283 2.016 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.238 -7.226 3.225 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.258 -5.913 3.779 1.00 1.04 H new ATOM 0 HG SER A 51 -9.505 -8.293 5.110 1.00 1.90 H new ATOM 617 N HIS A 52 -11.272 -9.718 4.259 1.00 0.86 N ATOM 618 CA HIS A 52 -11.162 -11.162 4.424 1.00 0.86 C ATOM 619 C HIS A 52 -12.131 -11.889 3.503 1.00 0.83 C ATOM 620 O HIS A 52 -11.740 -12.796 2.769 1.00 0.90 O ATOM 621 CB HIS A 52 -11.423 -11.541 5.878 1.00 0.94 C ATOM 622 CG HIS A 52 -10.509 -10.836 6.827 1.00 0.99 C ATOM 623 ND1 HIS A 52 -9.369 -10.182 6.417 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.567 -10.685 8.170 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.763 -9.661 7.466 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.468 -9.949 8.545 1.00 1.39 N ATOM 0 H HIS A 52 -11.390 -9.204 5.132 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.150 -11.465 4.155 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.457 -11.305 6.131 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.304 -12.618 5.996 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -9.044 -10.111 5.453 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -11.334 -11.071 8.826 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.844 -9.094 7.446 1.00 1.28 H new ATOM 635 N GLU A 53 -13.390 -11.475 3.529 1.00 0.86 N ATOM 636 CA GLU A 53 -14.397 -12.081 2.675 1.00 0.95 C ATOM 637 C GLU A 53 -14.041 -11.854 1.212 1.00 0.94 C ATOM 638 O GLU A 53 -14.144 -12.759 0.387 1.00 0.95 O ATOM 639 CB GLU A 53 -15.779 -11.498 2.978 1.00 1.10 C ATOM 640 CG GLU A 53 -16.569 -12.302 3.997 1.00 1.68 C ATOM 641 CD GLU A 53 -17.497 -13.311 3.349 1.00 2.38 C ATOM 642 OE1 GLU A 53 -17.124 -13.872 2.298 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.598 -13.540 3.893 1.00 2.71 O ATOM 0 H GLU A 53 -13.735 -10.726 4.129 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.424 -13.153 2.873 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.661 -10.478 3.345 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.350 -11.440 2.052 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.877 -12.823 4.659 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.153 -11.622 4.617 1.00 1.68 H new ATOM 650 N LEU A 54 -13.609 -10.636 0.904 1.00 0.95 N ATOM 651 CA LEU A 54 -13.225 -10.272 -0.455 1.00 1.00 C ATOM 652 C LEU A 54 -12.161 -11.221 -1.000 1.00 0.89 C ATOM 653 O LEU A 54 -12.264 -11.702 -2.129 1.00 0.93 O ATOM 654 CB LEU A 54 -12.705 -8.829 -0.485 1.00 1.06 C ATOM 655 CG LEU A 54 -12.074 -8.377 -1.807 1.00 1.15 C ATOM 656 CD1 LEU A 54 -10.657 -8.910 -1.940 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.928 -8.819 -2.989 1.00 1.24 C ATOM 0 H LEU A 54 -13.516 -9.880 1.582 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.108 -10.351 -1.089 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.532 -8.159 -0.251 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.966 -8.712 0.308 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.028 -7.288 -1.806 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.230 -8.576 -2.886 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.049 -8.537 -1.116 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -10.674 -10.000 -1.914 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.463 -8.488 -3.918 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.011 -9.906 -2.992 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -13.922 -8.379 -2.904 1.00 1.24 H new ATOM 663 N ASN A 55 -11.136 -11.479 -0.196 1.00 0.78 N ATOM 664 CA ASN A 55 -10.050 -12.365 -0.611 1.00 0.71 C ATOM 665 C ASN A 55 -10.519 -13.812 -0.659 1.00 0.69 C ATOM 666 O ASN A 55 -10.385 -14.492 -1.677 1.00 0.74 O ATOM 667 CB ASN A 55 -8.841 -12.262 0.335 1.00 0.68 C ATOM 668 CG ASN A 55 -8.815 -10.992 1.169 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.950 -9.887 0.644 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.637 -11.150 2.478 1.00 1.42 N ATOM 0 H ASN A 55 -11.032 -11.091 0.742 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.745 -12.046 -1.608 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.841 -13.123 1.003 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.926 -12.316 -0.255 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.608 -10.335 3.091 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.530 -12.086 2.869 1.00 1.42 H new ATOM 675 N LEU A 56 -11.041 -14.280 0.464 1.00 0.71 N ATOM 676 CA LEU A 56 -11.506 -15.656 0.589 1.00 0.79 C ATOM 677 C LEU A 56 -12.680 -15.975 -0.338 1.00 0.87 C ATOM 678 O LEU A 56 -12.930 -17.143 -0.640 1.00 0.97 O ATOM 679 CB LEU A 56 -11.894 -15.945 2.038 1.00 0.84 C ATOM 680 CG LEU A 56 -10.743 -16.425 2.924 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.839 -15.262 3.308 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.282 -17.118 4.166 1.00 0.92 C ATOM 0 H LEU A 56 -11.155 -13.722 1.310 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.679 -16.299 0.287 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.317 -15.040 2.474 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.680 -16.700 2.046 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.150 -17.144 2.358 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.027 -15.625 3.938 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.425 -14.810 2.407 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.417 -14.517 3.855 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.450 -17.453 4.785 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.899 -16.421 4.733 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.884 -17.977 3.871 1.00 0.92 H new ATOM 688 N THR A 57 -13.409 -14.956 -0.779 1.00 0.93 N ATOM 689 CA THR A 57 -14.558 -15.182 -1.654 1.00 1.09 C ATOM 690 C THR A 57 -14.142 -15.330 -3.116 1.00 1.14 C ATOM 691 O THR A 57 -14.808 -16.024 -3.884 1.00 1.27 O ATOM 692 CB THR A 57 -15.581 -14.049 -1.518 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.812 -14.415 -2.116 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.139 -12.745 -2.151 1.00 1.45 C ATOM 0 H THR A 57 -13.230 -13.978 -0.550 1.00 0.93 H new ATOM 0 HA THR A 57 -15.017 -16.118 -1.337 1.00 1.09 H new ATOM 0 HB THR A 57 -15.685 -13.890 -0.445 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.454 -13.681 -2.019 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.915 -11.992 -2.014 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.217 -12.406 -1.679 1.00 1.45 H new ATOM 0 HG23 THR A 57 -14.966 -12.898 -3.216 1.00 1.45 H new ATOM 699 N TYR A 58 -13.059 -14.665 -3.508 1.00 1.08 N ATOM 700 CA TYR A 58 -12.603 -14.727 -4.893 1.00 1.17 C ATOM 701 C TYR A 58 -11.243 -15.417 -5.040 1.00 1.08 C ATOM 702 O TYR A 58 -10.717 -15.509 -6.149 1.00 1.19 O ATOM 703 CB TYR A 58 -12.554 -13.314 -5.492 1.00 1.25 C ATOM 704 CG TYR A 58 -11.187 -12.661 -5.455 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.461 -12.586 -4.272 1.00 1.25 C ATOM 706 CD2 TYR A 58 -10.624 -12.122 -6.605 1.00 1.67 C ATOM 707 CE1 TYR A 58 -9.213 -11.993 -4.237 1.00 1.55 C ATOM 708 CE2 TYR A 58 -9.377 -11.528 -6.578 1.00 2.23 C ATOM 709 CZ TYR A 58 -8.676 -11.465 -5.393 1.00 2.11 C ATOM 710 OH TYR A 58 -7.434 -10.875 -5.364 1.00 2.74 O ATOM 0 H TYR A 58 -12.487 -14.084 -2.895 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.323 -15.334 -5.442 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -12.892 -13.360 -6.527 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.260 -12.681 -4.954 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -10.879 -12.998 -3.365 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -11.170 -12.168 -7.536 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -8.661 -11.943 -3.310 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -8.953 -11.115 -7.481 1.00 2.23 H new ATOM 0 HH TYR A 58 -7.246 -10.553 -4.458 1.00 2.74 H new ATOM 720 N ARG A 59 -10.665 -15.895 -3.939 1.00 0.99 N ATOM 721 CA ARG A 59 -9.361 -16.555 -4.020 1.00 0.99 C ATOM 722 C ARG A 59 -9.116 -17.543 -2.878 1.00 0.90 C ATOM 723 O ARG A 59 -8.423 -18.544 -3.063 1.00 0.97 O ATOM 724 CB ARG A 59 -8.247 -15.506 -4.036 1.00 1.05 C ATOM 725 CG ARG A 59 -6.856 -16.099 -4.185 1.00 1.58 C ATOM 726 CD ARG A 59 -6.205 -16.340 -2.833 1.00 1.65 C ATOM 727 NE ARG A 59 -4.745 -16.308 -2.917 1.00 2.22 N ATOM 728 CZ ARG A 59 -3.936 -16.946 -2.073 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.434 -17.675 -1.083 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.621 -16.854 -2.223 1.00 3.32 N ATOM 0 H ARG A 59 -11.065 -15.841 -3.002 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.358 -17.129 -4.946 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.426 -14.810 -4.856 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.290 -14.928 -3.113 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.917 -17.039 -4.733 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.234 -15.426 -4.775 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.545 -15.583 -2.126 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.525 -17.306 -2.443 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.320 -15.764 -3.668 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.444 -17.750 -0.963 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.807 -18.160 -0.441 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.232 -16.296 -2.983 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -1.999 -17.341 -1.578 1.00 3.32 H new ATOM 744 N GLY A 60 -9.659 -17.261 -1.699 1.00 0.81 N ATOM 745 CA GLY A 60 -9.444 -18.146 -0.564 1.00 0.80 C ATOM 746 C GLY A 60 -8.168 -17.794 0.177 1.00 0.78 C ATOM 747 O GLY A 60 -7.440 -18.674 0.636 1.00 0.88 O ATOM 0 H GLY A 60 -10.239 -16.444 -1.507 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.292 -18.080 0.117 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.393 -19.178 -0.910 1.00 0.80 H new ATOM 751 N LYS A 61 -7.894 -16.497 0.267 1.00 0.76 N ATOM 752 CA LYS A 61 -6.692 -15.997 0.929 1.00 0.90 C ATOM 753 C LYS A 61 -6.612 -16.431 2.390 1.00 0.95 C ATOM 754 O LYS A 61 -7.321 -17.337 2.827 1.00 1.42 O ATOM 755 CB LYS A 61 -6.638 -14.472 0.827 1.00 1.17 C ATOM 756 CG LYS A 61 -5.254 -13.936 0.493 1.00 1.31 C ATOM 757 CD LYS A 61 -5.305 -12.903 -0.622 1.00 1.00 C ATOM 758 CE LYS A 61 -4.211 -13.135 -1.651 1.00 1.42 C ATOM 759 NZ LYS A 61 -3.078 -12.185 -1.481 1.00 2.13 N ATOM 0 H LYS A 61 -8.494 -15.766 -0.114 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.832 -16.430 0.418 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.341 -14.142 0.063 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.968 -14.040 1.772 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.812 -13.489 1.383 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.606 -14.761 0.196 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -6.279 -12.942 -1.110 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.201 -11.904 -0.198 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.843 -14.158 -1.565 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -4.627 -13.029 -2.653 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.571 -12.084 -2.384 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.444 -11.258 -1.183 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.426 -12.548 -0.757 1.00 2.13 H new ATOM 773 N ASP A 62 -5.714 -15.780 3.128 1.00 1.17 N ATOM 774 CA ASP A 62 -5.483 -16.078 4.539 1.00 1.25 C ATOM 775 C ASP A 62 -6.763 -15.959 5.377 1.00 1.66 C ATOM 776 O ASP A 62 -7.866 -16.176 4.882 1.00 2.50 O ATOM 777 CB ASP A 62 -4.397 -15.144 5.083 1.00 1.84 C ATOM 778 CG ASP A 62 -3.437 -15.857 6.016 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.834 -16.155 7.161 1.00 3.06 O ATOM 780 OD2 ASP A 62 -2.289 -16.116 5.600 1.00 2.95 O ATOM 0 H ASP A 62 -5.126 -15.031 2.763 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.153 -17.114 4.615 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.839 -14.715 4.250 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.866 -14.315 5.613 1.00 1.84 H new ATOM 785 N ARG A 63 -6.596 -15.625 6.658 1.00 1.71 N ATOM 786 CA ARG A 63 -7.713 -15.487 7.586 1.00 2.49 C ATOM 787 C ARG A 63 -7.573 -14.170 8.354 1.00 2.22 C ATOM 788 O ARG A 63 -6.646 -13.411 8.082 1.00 1.77 O ATOM 789 CB ARG A 63 -7.720 -16.687 8.540 1.00 3.33 C ATOM 790 CG ARG A 63 -8.752 -17.751 8.187 1.00 4.23 C ATOM 791 CD ARG A 63 -10.171 -17.207 8.239 1.00 4.88 C ATOM 792 NE ARG A 63 -11.105 -18.037 7.480 1.00 5.84 N ATOM 793 CZ ARG A 63 -11.630 -19.170 7.937 1.00 6.66 C ATOM 794 NH1 ARG A 63 -11.313 -19.617 9.145 1.00 6.76 N ATOM 795 NH2 ARG A 63 -12.477 -19.859 7.183 1.00 7.66 N ATOM 0 H ARG A 63 -5.684 -15.444 7.078 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.659 -15.468 7.045 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.730 -17.142 8.543 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.910 -16.332 9.553 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.548 -18.137 7.188 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -8.659 -18.589 8.878 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -10.499 -17.149 9.277 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -10.184 -16.192 7.843 1.00 4.88 H new ATOM 0 HE ARG A 63 -11.370 -17.729 6.544 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -10.663 -19.091 9.729 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -11.719 -20.487 9.490 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -12.725 -19.519 6.254 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -12.880 -20.728 7.533 1.00 7.66 H new ATOM 809 N PRO A 64 -8.478 -13.864 9.317 1.00 3.04 N ATOM 810 CA PRO A 64 -8.418 -12.624 10.096 1.00 3.30 C ATOM 811 C PRO A 64 -6.998 -12.105 10.291 1.00 2.79 C ATOM 812 O PRO A 64 -6.311 -12.462 11.249 1.00 3.00 O ATOM 813 CB PRO A 64 -9.041 -13.057 11.413 1.00 4.45 C ATOM 814 CG PRO A 64 -10.125 -13.994 10.993 1.00 4.81 C ATOM 815 CD PRO A 64 -9.638 -14.681 9.735 1.00 4.12 C ATOM 0 HA PRO A 64 -8.924 -11.791 9.608 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.313 -13.548 12.059 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.438 -12.207 11.968 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.333 -14.722 11.777 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.053 -13.454 10.805 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.351 -15.715 9.929 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.410 -14.703 8.966 1.00 4.12 H new ATOM 823 N THR A 65 -6.568 -11.269 9.353 1.00 2.27 N ATOM 824 CA THR A 65 -5.231 -10.694 9.372 1.00 2.01 C ATOM 825 C THR A 65 -5.258 -9.245 9.859 1.00 1.59 C ATOM 826 O THR A 65 -6.242 -8.794 10.447 1.00 1.81 O ATOM 827 CB THR A 65 -4.629 -10.768 7.963 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.228 -10.567 8.002 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.214 -9.752 7.002 1.00 2.82 C ATOM 0 H THR A 65 -7.136 -10.972 8.560 1.00 2.27 H new ATOM 0 HA THR A 65 -4.615 -11.265 10.066 1.00 2.01 H new ATOM 0 HB THR A 65 -4.874 -11.766 7.601 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.865 -10.620 7.093 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.742 -9.861 6.025 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.287 -9.917 6.907 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.033 -8.746 7.381 1.00 2.82 H new ATOM 834 N ASN A 66 -4.174 -8.523 9.595 1.00 1.36 N ATOM 835 CA ASN A 66 -4.064 -7.123 9.987 1.00 1.09 C ATOM 836 C ASN A 66 -3.774 -6.255 8.767 1.00 0.83 C ATOM 837 O ASN A 66 -4.383 -5.202 8.580 1.00 1.09 O ATOM 838 CB ASN A 66 -2.958 -6.946 11.029 1.00 1.37 C ATOM 839 CG ASN A 66 -1.599 -7.372 10.507 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.475 -8.385 9.817 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.571 -6.600 10.836 1.00 1.35 N ATOM 0 H ASN A 66 -3.355 -8.887 9.108 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.012 -6.811 10.426 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -2.915 -5.901 11.336 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.202 -7.529 11.917 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.368 -6.837 10.515 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -0.720 -5.770 11.410 1.00 1.35 H new ATOM 846 N VAL A 67 -2.841 -6.713 7.936 1.00 0.71 N ATOM 847 CA VAL A 67 -2.463 -5.991 6.728 1.00 0.79 C ATOM 848 C VAL A 67 -2.225 -6.958 5.570 1.00 0.79 C ATOM 849 O VAL A 67 -1.084 -7.282 5.243 1.00 0.81 O ATOM 850 CB VAL A 67 -1.191 -5.145 6.957 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.714 -4.514 5.655 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.440 -4.079 8.015 1.00 1.51 C ATOM 0 H VAL A 67 -2.332 -7.585 8.080 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.288 -5.325 6.477 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.404 -5.807 7.317 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.183 -3.924 5.844 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.487 -5.298 4.933 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.496 -3.868 5.256 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.532 -3.494 8.162 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -2.246 -3.423 7.687 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.720 -4.557 8.954 1.00 1.51 H new ATOM 856 N LEU A 68 -3.311 -7.415 4.954 1.00 0.86 N ATOM 857 CA LEU A 68 -3.224 -8.345 3.832 1.00 0.89 C ATOM 858 C LEU A 68 -2.963 -7.599 2.525 1.00 0.81 C ATOM 859 O LEU A 68 -3.534 -6.536 2.280 1.00 0.75 O ATOM 860 CB LEU A 68 -4.513 -9.166 3.728 1.00 0.99 C ATOM 861 CG LEU A 68 -4.606 -10.092 2.512 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.098 -11.485 2.859 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.039 -10.162 2.006 1.00 1.10 C ATOM 0 H LEU A 68 -4.263 -7.156 5.213 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.387 -9.021 4.010 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.614 -9.769 4.631 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.360 -8.480 3.707 1.00 0.99 H new ATOM 0 HG LEU A 68 -3.977 -9.683 1.721 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.172 -12.128 1.982 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.057 -11.424 3.177 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.700 -11.901 3.666 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.088 -10.824 1.142 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.685 -10.547 2.795 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.372 -9.165 1.718 1.00 1.10 H new ATOM 869 N SER A 69 -2.092 -8.162 1.691 1.00 0.96 N ATOM 870 CA SER A 69 -1.750 -7.548 0.411 1.00 0.97 C ATOM 871 C SER A 69 -2.176 -8.433 -0.756 1.00 0.86 C ATOM 872 O SER A 69 -2.888 -9.421 -0.574 1.00 0.89 O ATOM 873 CB SER A 69 -0.246 -7.283 0.338 1.00 1.18 C ATOM 874 OG SER A 69 0.482 -8.495 0.247 1.00 1.85 O ATOM 0 H SER A 69 -1.611 -9.042 1.879 1.00 0.96 H new ATOM 0 HA SER A 69 -2.287 -6.602 0.338 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.026 -6.657 -0.527 1.00 1.18 H new ATOM 0 HB3 SER A 69 0.072 -6.730 1.222 1.00 1.18 H new ATOM 0 HG SER A 69 1.000 -8.504 -0.585 1.00 1.85 H new ATOM 880 N PHE A 70 -1.732 -8.071 -1.957 1.00 0.81 N ATOM 881 CA PHE A 70 -2.062 -8.829 -3.159 1.00 0.82 C ATOM 882 C PHE A 70 -0.984 -8.655 -4.226 1.00 0.91 C ATOM 883 O PHE A 70 -1.127 -7.837 -5.135 1.00 1.03 O ATOM 884 CB PHE A 70 -3.417 -8.384 -3.713 1.00 0.89 C ATOM 885 CG PHE A 70 -4.589 -9.042 -3.045 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.156 -8.484 -1.912 1.00 1.16 C ATOM 887 CD2 PHE A 70 -5.126 -10.216 -3.551 1.00 1.81 C ATOM 888 CE1 PHE A 70 -6.239 -9.083 -1.295 1.00 1.33 C ATOM 889 CE2 PHE A 70 -6.207 -10.820 -2.937 1.00 2.03 C ATOM 890 CZ PHE A 70 -6.764 -10.252 -1.809 1.00 1.48 C ATOM 0 H PHE A 70 -1.142 -7.256 -2.123 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.115 -9.884 -2.889 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.507 -7.303 -3.603 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.451 -8.599 -4.781 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.748 -7.570 -1.505 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -4.695 -10.663 -4.434 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -6.673 -8.637 -0.412 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -6.615 -11.735 -3.339 1.00 2.03 H new ATOM 0 HZ PHE A 70 -7.610 -10.722 -1.329 1.00 1.48 H new ATOM 900 N PRO A 71 0.113 -9.425 -4.129 1.00 0.95 N ATOM 901 CA PRO A 71 1.216 -9.352 -5.090 1.00 1.11 C ATOM 902 C PRO A 71 0.889 -10.061 -6.400 1.00 1.11 C ATOM 903 O PRO A 71 0.091 -10.998 -6.428 1.00 1.14 O ATOM 904 CB PRO A 71 2.354 -10.067 -4.366 1.00 1.18 C ATOM 905 CG PRO A 71 1.674 -11.053 -3.480 1.00 1.13 C ATOM 906 CD PRO A 71 0.366 -10.426 -3.074 1.00 0.95 C ATOM 0 HA PRO A 71 1.448 -8.325 -5.373 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.023 -10.562 -5.070 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.959 -9.367 -3.790 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.508 -11.995 -4.002 1.00 1.13 H new ATOM 0 HG3 PRO A 71 2.286 -11.277 -2.606 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.433 -11.165 -3.024 1.00 0.95 H new ATOM 0 HD3 PRO A 71 0.433 -9.962 -2.090 1.00 0.95 H new ATOM 914 N PHE A 72 1.512 -9.608 -7.484 1.00 1.22 N ATOM 915 CA PHE A 72 1.285 -10.201 -8.796 1.00 1.28 C ATOM 916 C PHE A 72 1.940 -11.578 -8.895 1.00 1.36 C ATOM 917 O PHE A 72 2.578 -12.042 -7.950 1.00 1.47 O ATOM 918 CB PHE A 72 1.813 -9.274 -9.900 1.00 1.36 C ATOM 919 CG PHE A 72 3.306 -9.322 -10.097 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.159 -9.591 -9.036 1.00 1.38 C ATOM 921 CD2 PHE A 72 3.854 -9.092 -11.349 1.00 1.65 C ATOM 922 CE1 PHE A 72 5.528 -9.631 -9.224 1.00 1.46 C ATOM 923 CE2 PHE A 72 5.222 -9.130 -11.541 1.00 1.83 C ATOM 924 CZ PHE A 72 6.059 -9.400 -10.477 1.00 1.39 C ATOM 0 H PHE A 72 2.176 -8.834 -7.479 1.00 1.22 H new ATOM 0 HA PHE A 72 0.211 -10.328 -8.930 1.00 1.28 H new ATOM 0 HB2 PHE A 72 1.327 -9.536 -10.840 1.00 1.36 H new ATOM 0 HB3 PHE A 72 1.523 -8.250 -9.666 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.749 -9.771 -8.053 1.00 1.38 H new ATOM 0 HD2 PHE A 72 3.204 -8.880 -12.185 1.00 1.65 H new ATOM 0 HE1 PHE A 72 6.182 -9.843 -8.391 1.00 1.46 H new ATOM 0 HE2 PHE A 72 5.636 -8.949 -12.522 1.00 1.83 H new ATOM 0 HZ PHE A 72 7.128 -9.430 -10.625 1.00 1.39 H new ATOM 934 N GLU A 73 1.774 -12.226 -10.043 1.00 1.56 N ATOM 935 CA GLU A 73 2.343 -13.551 -10.265 1.00 1.67 C ATOM 936 C GLU A 73 3.866 -13.518 -10.176 1.00 1.31 C ATOM 937 O GLU A 73 4.506 -12.574 -10.639 1.00 1.43 O ATOM 938 CB GLU A 73 1.915 -14.089 -11.632 1.00 2.21 C ATOM 939 CG GLU A 73 2.236 -13.151 -12.784 1.00 2.25 C ATOM 940 CD GLU A 73 1.153 -13.140 -13.845 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.178 -14.022 -14.728 1.00 2.62 O ATOM 942 OE2 GLU A 73 0.281 -12.246 -13.794 1.00 2.89 O ATOM 0 H GLU A 73 1.249 -11.855 -10.835 1.00 1.56 H new ATOM 0 HA GLU A 73 1.967 -14.212 -9.484 1.00 1.67 H new ATOM 0 HB2 GLU A 73 2.407 -15.046 -11.806 1.00 2.21 H new ATOM 0 HB3 GLU A 73 0.842 -14.280 -11.618 1.00 2.21 H new ATOM 0 HG2 GLU A 73 2.372 -12.141 -12.398 1.00 2.25 H new ATOM 0 HG3 GLU A 73 3.181 -13.449 -13.238 1.00 2.25 H new ATOM 949 N CYS A 74 4.440 -14.561 -9.580 1.00 1.48 N ATOM 950 CA CYS A 74 5.888 -14.660 -9.432 1.00 1.68 C ATOM 951 C CYS A 74 6.435 -15.822 -10.259 1.00 1.76 C ATOM 952 O CYS A 74 6.514 -16.952 -9.779 1.00 2.31 O ATOM 953 CB CYS A 74 6.259 -14.848 -7.959 1.00 2.63 C ATOM 954 SG CYS A 74 5.416 -16.232 -7.157 1.00 3.95 S ATOM 0 H CYS A 74 3.923 -15.350 -9.192 1.00 1.48 H new ATOM 0 HA CYS A 74 6.333 -13.734 -9.795 1.00 1.68 H new ATOM 0 HB2 CYS A 74 7.336 -14.999 -7.883 1.00 2.63 H new ATOM 0 HB3 CYS A 74 6.027 -13.931 -7.417 1.00 2.63 H new ATOM 0 HG CYS A 74 5.490 -17.284 -7.917 1.00 3.95 H new ATOM 960 N PRO A 75 6.812 -15.559 -11.524 1.00 1.68 N ATOM 961 CA PRO A 75 7.341 -16.591 -12.419 1.00 2.01 C ATOM 962 C PRO A 75 8.742 -17.070 -12.016 1.00 2.43 C ATOM 963 O PRO A 75 8.874 -17.975 -11.192 1.00 3.08 O ATOM 964 CB PRO A 75 7.354 -15.899 -13.786 1.00 2.13 C ATOM 965 CG PRO A 75 7.475 -14.446 -13.474 1.00 2.21 C ATOM 966 CD PRO A 75 6.740 -14.239 -12.178 1.00 1.89 C ATOM 0 HA PRO A 75 6.738 -17.499 -12.399 1.00 2.01 H new ATOM 0 HB2 PRO A 75 8.189 -16.244 -14.396 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.442 -16.109 -14.345 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.521 -14.152 -13.381 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.043 -13.839 -14.269 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.208 -13.465 -11.571 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.708 -13.931 -12.347 1.00 1.89 H new ATOM 974 N ASP A 76 9.784 -16.472 -12.596 1.00 2.55 N ATOM 975 CA ASP A 76 11.156 -16.864 -12.285 1.00 3.28 C ATOM 976 C ASP A 76 11.958 -15.685 -11.735 1.00 3.54 C ATOM 977 O ASP A 76 12.054 -15.501 -10.522 1.00 4.33 O ATOM 978 CB ASP A 76 11.832 -17.424 -13.538 1.00 3.70 C ATOM 979 CG ASP A 76 11.614 -18.916 -13.696 1.00 4.37 C ATOM 980 OD1 ASP A 76 11.750 -19.645 -12.693 1.00 4.93 O ATOM 981 OD2 ASP A 76 11.307 -19.353 -14.825 1.00 4.70 O ATOM 0 H ASP A 76 9.703 -15.719 -13.279 1.00 2.55 H new ATOM 0 HA ASP A 76 11.125 -17.635 -11.516 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.445 -16.908 -14.417 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.902 -17.219 -13.493 1.00 3.70 H new ATOM 986 N GLU A 77 12.529 -14.890 -12.635 1.00 3.34 N ATOM 987 CA GLU A 77 13.318 -13.728 -12.247 1.00 4.10 C ATOM 988 C GLU A 77 12.573 -12.445 -12.594 1.00 4.12 C ATOM 989 O GLU A 77 12.661 -11.450 -11.877 1.00 4.72 O ATOM 990 CB GLU A 77 14.680 -13.750 -12.943 1.00 4.59 C ATOM 991 CG GLU A 77 15.790 -14.339 -12.087 1.00 5.37 C ATOM 992 CD GLU A 77 16.008 -15.816 -12.351 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.677 -16.148 -13.352 1.00 6.39 O ATOM 994 OE2 GLU A 77 15.508 -16.640 -11.557 1.00 6.84 O ATOM 0 H GLU A 77 12.459 -15.031 -13.643 1.00 3.34 H new ATOM 0 HA GLU A 77 13.477 -13.762 -11.169 1.00 4.10 H new ATOM 0 HB2 GLU A 77 14.599 -14.326 -13.865 1.00 4.59 H new ATOM 0 HB3 GLU A 77 14.951 -12.733 -13.226 1.00 4.59 H new ATOM 0 HG2 GLU A 77 16.717 -13.799 -12.279 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.548 -14.194 -11.034 1.00 5.37 H new ATOM 1001 N VAL A 78 11.829 -12.494 -13.697 1.00 3.88 N ATOM 1002 CA VAL A 78 11.040 -11.356 -14.165 1.00 4.32 C ATOM 1003 C VAL A 78 11.902 -10.114 -14.383 1.00 4.59 C ATOM 1004 O VAL A 78 12.183 -9.740 -15.522 1.00 4.66 O ATOM 1005 CB VAL A 78 9.876 -11.007 -13.201 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.556 -11.006 -13.952 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.806 -11.971 -12.022 1.00 4.61 C ATOM 0 H VAL A 78 11.756 -13.321 -14.290 1.00 3.88 H new ATOM 0 HA VAL A 78 10.617 -11.666 -15.120 1.00 4.32 H new ATOM 0 HB VAL A 78 10.068 -10.011 -12.802 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.747 -10.760 -13.265 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.592 -10.265 -14.750 1.00 3.62 H new ATOM 0 HG13 VAL A 78 8.380 -11.993 -14.381 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.977 -11.691 -11.372 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.652 -12.985 -12.390 1.00 4.61 H new ATOM 0 HG23 VAL A 78 10.739 -11.927 -11.460 1.00 4.61 H new ATOM 1011 N GLU A 79 12.311 -9.476 -13.290 1.00 5.02 N ATOM 1012 CA GLU A 79 13.135 -8.272 -13.360 1.00 5.37 C ATOM 1013 C GLU A 79 12.350 -7.108 -13.957 1.00 4.83 C ATOM 1014 O GLU A 79 12.416 -6.847 -15.158 1.00 5.25 O ATOM 1015 CB GLU A 79 14.408 -8.530 -14.169 1.00 6.47 C ATOM 1016 CG GLU A 79 15.441 -9.360 -13.421 1.00 7.05 C ATOM 1017 CD GLU A 79 16.814 -9.295 -14.061 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.933 -9.658 -15.250 1.00 8.58 O ATOM 1019 OE2 GLU A 79 17.771 -8.884 -13.372 1.00 8.13 O ATOM 0 H GLU A 79 12.084 -9.774 -12.341 1.00 5.02 H new ATOM 0 HA GLU A 79 13.423 -8.004 -12.343 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.144 -9.041 -15.095 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.853 -7.575 -14.447 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.507 -9.009 -12.391 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.110 -10.398 -13.384 1.00 7.05 H new ATOM 1026 N LEU A 80 11.605 -6.415 -13.100 1.00 4.12 N ATOM 1027 CA LEU A 80 10.796 -5.275 -13.519 1.00 3.69 C ATOM 1028 C LEU A 80 10.116 -4.629 -12.313 1.00 3.19 C ATOM 1029 O LEU A 80 9.896 -5.283 -11.295 1.00 2.62 O ATOM 1030 CB LEU A 80 9.745 -5.710 -14.550 1.00 3.48 C ATOM 1031 CG LEU A 80 8.622 -6.615 -14.025 1.00 3.52 C ATOM 1032 CD1 LEU A 80 9.181 -7.723 -13.145 1.00 4.01 C ATOM 1033 CD2 LEU A 80 7.586 -5.802 -13.262 1.00 3.62 C ATOM 0 H LEU A 80 11.545 -6.626 -12.104 1.00 4.12 H new ATOM 0 HA LEU A 80 11.455 -4.540 -13.982 1.00 3.69 H new ATOM 0 HB2 LEU A 80 9.293 -4.815 -14.979 1.00 3.48 H new ATOM 0 HB3 LEU A 80 10.254 -6.230 -15.361 1.00 3.48 H new ATOM 0 HG LEU A 80 8.135 -7.076 -14.884 1.00 3.52 H new ATOM 0 HD11 LEU A 80 8.364 -8.350 -12.786 1.00 4.01 H new ATOM 0 HD12 LEU A 80 9.877 -8.330 -13.723 1.00 4.01 H new ATOM 0 HD13 LEU A 80 9.702 -7.284 -12.294 1.00 4.01 H new ATOM 0 HD21 LEU A 80 6.800 -6.464 -12.899 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.063 -5.307 -12.416 1.00 3.62 H new ATOM 0 HD23 LEU A 80 7.153 -5.052 -13.924 1.00 3.62 H new ATOM 1039 N PRO A 81 9.776 -3.332 -12.409 1.00 3.80 N ATOM 1040 CA PRO A 81 9.123 -2.605 -11.314 1.00 3.74 C ATOM 1041 C PRO A 81 7.659 -3.002 -11.140 1.00 2.98 C ATOM 1042 O PRO A 81 6.940 -3.206 -12.118 1.00 3.21 O ATOM 1043 CB PRO A 81 9.232 -1.144 -11.751 1.00 4.99 C ATOM 1044 CG PRO A 81 9.281 -1.199 -13.238 1.00 5.53 C ATOM 1045 CD PRO A 81 10.009 -2.470 -13.584 1.00 4.94 C ATOM 0 HA PRO A 81 9.588 -2.815 -10.351 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.378 -0.562 -11.404 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.126 -0.674 -11.342 1.00 4.99 H new ATOM 0 HG2 PRO A 81 8.277 -1.197 -13.661 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.799 -0.330 -13.643 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.618 -2.921 -14.496 1.00 4.94 H new ATOM 0 HD3 PRO A 81 11.072 -2.292 -13.747 1.00 4.94 H new ATOM 1053 N LEU A 82 7.224 -3.106 -9.886 1.00 2.52 N ATOM 1054 CA LEU A 82 5.843 -3.475 -9.581 1.00 1.87 C ATOM 1055 C LEU A 82 5.585 -3.437 -8.076 1.00 1.58 C ATOM 1056 O LEU A 82 6.477 -3.713 -7.274 1.00 2.06 O ATOM 1057 CB LEU A 82 5.522 -4.869 -10.140 1.00 1.92 C ATOM 1058 CG LEU A 82 6.163 -6.054 -9.402 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.635 -5.795 -9.126 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.416 -6.349 -8.109 1.00 2.10 C ATOM 0 H LEU A 82 7.807 -2.940 -9.066 1.00 2.52 H new ATOM 0 HA LEU A 82 5.188 -2.746 -10.058 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.440 -5.002 -10.130 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.838 -4.902 -11.183 1.00 1.92 H new ATOM 0 HG LEU A 82 6.092 -6.930 -10.047 1.00 1.91 H new ATOM 0 HD11 LEU A 82 8.063 -6.650 -8.603 1.00 2.25 H new ATOM 0 HD12 LEU A 82 8.161 -5.646 -10.069 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.738 -4.903 -8.508 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.886 -7.192 -7.602 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.448 -5.472 -7.462 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.379 -6.595 -8.336 1.00 2.10 H new ATOM 1066 N LEU A 83 4.358 -3.092 -7.698 1.00 1.15 N ATOM 1067 CA LEU A 83 3.987 -3.019 -6.286 1.00 1.18 C ATOM 1068 C LEU A 83 2.745 -3.865 -5.986 1.00 1.05 C ATOM 1069 O LEU A 83 2.446 -4.145 -4.826 1.00 1.39 O ATOM 1070 CB LEU A 83 3.752 -1.566 -5.873 1.00 1.20 C ATOM 1071 CG LEU A 83 4.922 -0.906 -5.144 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.090 -1.503 -3.755 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.203 -1.058 -5.950 1.00 2.48 C ATOM 0 H LEU A 83 3.605 -2.859 -8.346 1.00 1.15 H new ATOM 0 HA LEU A 83 4.814 -3.425 -5.704 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.523 -0.983 -6.765 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.873 -1.524 -5.230 1.00 1.20 H new ATOM 0 HG LEU A 83 4.707 0.157 -5.036 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.928 -1.021 -3.251 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.179 -1.344 -3.178 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.284 -2.572 -3.840 1.00 3.13 H new ATOM 0 HD21 LEU A 83 7.027 -0.583 -5.417 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.423 -2.117 -6.088 1.00 2.48 H new ATOM 0 HD23 LEU A 83 6.079 -0.584 -6.923 1.00 2.48 H new ATOM 1079 N GLY A 84 2.030 -4.273 -7.033 1.00 0.86 N ATOM 1080 CA GLY A 84 0.842 -5.090 -6.850 1.00 1.17 C ATOM 1081 C GLY A 84 -0.279 -4.367 -6.126 1.00 1.02 C ATOM 1082 O GLY A 84 -0.287 -3.139 -6.045 1.00 0.95 O ATOM 0 H GLY A 84 2.252 -4.052 -8.004 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.482 -5.419 -7.825 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.109 -5.986 -6.289 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.234 -5.138 -5.605 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.375 -4.574 -4.890 1.00 0.88 C ATOM 1088 C ASP A 85 -2.225 -4.758 -3.381 1.00 0.82 C ATOM 1089 O ASP A 85 -1.404 -5.553 -2.922 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.675 -5.223 -5.372 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.658 -4.209 -5.922 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.389 -3.592 -5.117 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -4.697 -4.028 -7.157 1.00 2.12 O ATOM 0 H ASP A 85 -1.238 -6.156 -5.666 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.410 -3.505 -5.100 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.446 -5.959 -6.143 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.137 -5.762 -4.545 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.018 -4.013 -2.616 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.968 -4.090 -1.160 1.00 0.69 C ATOM 1100 C LEU A 86 -4.369 -4.016 -0.552 1.00 0.60 C ATOM 1101 O LEU A 86 -5.282 -3.434 -1.137 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.103 -2.954 -0.606 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.081 -3.369 0.452 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.006 -4.235 -0.167 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -0.471 -2.142 1.111 1.00 1.10 C ATOM 0 H LEU A 86 -3.702 -3.350 -2.980 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.529 -5.050 -0.888 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.573 -2.485 -1.435 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.758 -2.196 -0.177 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.594 -3.953 1.216 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.725 -4.521 0.601 1.00 1.41 H new ATOM 0 HD12 LEU A 86 -0.443 -5.131 -0.596 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.516 -3.674 -0.950 1.00 1.41 H new ATOM 0 HD21 LEU A 86 0.255 -2.455 1.862 1.00 1.10 H new ATOM 0 HD22 LEU A 86 0.027 -1.534 0.356 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.257 -1.557 1.588 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.523 -4.603 0.632 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.804 -4.599 1.334 1.00 0.59 C ATOM 1113 C VAL A 87 -5.587 -4.536 2.843 1.00 0.66 C ATOM 1114 O VAL A 87 -5.458 -5.565 3.506 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.646 -5.844 0.990 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.001 -5.781 1.679 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.814 -5.969 -0.516 1.00 1.15 C ATOM 0 H VAL A 87 -3.775 -5.089 1.127 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.349 -3.714 1.006 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.121 -6.728 1.353 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.580 -6.668 1.424 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.858 -5.739 2.759 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.536 -4.891 1.349 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.411 -6.852 -0.743 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.318 -5.082 -0.901 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.834 -6.062 -0.985 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.533 -3.320 3.376 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.314 -3.121 4.804 1.00 0.66 C ATOM 1123 C ILE A 88 -6.599 -2.709 5.521 1.00 0.74 C ATOM 1124 O ILE A 88 -7.530 -2.190 4.906 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.232 -2.045 5.051 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.882 -2.513 4.501 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.122 -1.712 6.532 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.342 -1.631 3.398 1.00 1.94 C ATOM 0 H ILE A 88 -5.638 -2.458 2.841 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.979 -4.076 5.207 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.527 -1.137 4.525 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.159 -2.547 5.316 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.985 -3.531 4.124 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.354 -0.953 6.678 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.079 -1.334 6.892 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.854 -2.610 7.088 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.384 -2.022 3.056 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.046 -1.617 2.566 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.207 -0.618 3.776 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.630 -2.935 6.832 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.784 -2.577 7.645 1.00 0.89 C ATOM 1134 C CYS A 89 -7.636 -1.150 8.166 1.00 0.78 C ATOM 1135 O CYS A 89 -6.674 -0.831 8.864 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.934 -3.551 8.815 1.00 1.12 C ATOM 1137 SG CYS A 89 -7.988 -5.290 8.324 1.00 1.32 S ATOM 0 H CYS A 89 -5.866 -3.366 7.353 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.679 -2.636 7.025 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.103 -3.405 9.505 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.847 -3.310 9.360 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.114 -6.036 9.381 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.586 -0.294 7.811 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.556 1.103 8.229 1.00 0.91 C ATOM 1145 C ARG A 90 -8.904 1.264 9.710 1.00 0.81 C ATOM 1146 O ARG A 90 -8.850 2.369 10.245 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.526 1.925 7.379 1.00 1.14 C ATOM 1148 CG ARG A 90 -9.459 3.421 7.653 1.00 2.09 C ATOM 1149 CD ARG A 90 -10.778 3.950 8.197 1.00 2.56 C ATOM 1150 NE ARG A 90 -10.894 3.757 9.641 1.00 3.28 N ATOM 1151 CZ ARG A 90 -12.054 3.723 10.295 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -13.199 3.871 9.641 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.068 3.540 11.608 1.00 5.12 N ATOM 0 H ARG A 90 -9.389 -0.543 7.233 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.539 1.466 8.084 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.313 1.747 6.325 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.542 1.576 7.562 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -8.662 3.625 8.368 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -9.206 3.949 6.734 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -10.866 5.012 7.965 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.605 3.445 7.697 1.00 2.56 H new ATOM 0 HE ARG A 90 -10.036 3.641 10.180 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.195 4.012 8.631 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.083 3.844 10.148 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -11.191 3.425 12.116 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.956 3.514 12.110 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.272 0.170 10.369 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.636 0.224 11.780 1.00 0.63 C ATOM 1169 C GLN A 91 -8.408 0.320 12.684 1.00 0.58 C ATOM 1170 O GLN A 91 -8.398 1.084 13.650 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.466 -1.006 12.159 1.00 0.69 C ATOM 1172 CG GLN A 91 -9.691 -2.312 12.087 1.00 0.83 C ATOM 1173 CD GLN A 91 -10.520 -3.505 12.520 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.401 -3.388 13.372 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -10.241 -4.664 11.934 1.00 1.12 N ATOM 0 H GLN A 91 -9.326 -0.759 9.952 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.229 1.126 11.929 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.850 -0.877 13.171 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -11.329 -1.069 11.497 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -9.342 -2.468 11.066 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -8.806 -2.240 12.719 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -9.502 -4.716 11.233 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -10.766 -5.502 12.185 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.382 -0.469 12.382 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.164 -0.481 13.189 1.00 0.60 C ATOM 1184 C VAL A 92 -5.235 0.689 12.861 1.00 0.55 C ATOM 1185 O VAL A 92 -4.767 1.390 13.762 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.392 -1.805 13.016 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -6.243 -2.981 13.470 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.945 -1.989 11.574 1.00 1.68 C ATOM 0 H VAL A 92 -7.368 -1.107 11.587 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.487 -0.380 14.225 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.500 -1.763 13.642 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -5.683 -3.907 13.341 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -6.503 -2.858 14.521 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -7.154 -3.022 12.874 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.403 -2.930 11.478 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -5.818 -2.005 10.922 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.293 -1.164 11.287 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.958 0.892 11.577 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.070 1.971 11.158 1.00 0.49 C ATOM 1194 C VAL A 93 -4.653 3.336 11.512 1.00 0.54 C ATOM 1195 O VAL A 93 -3.962 4.188 12.072 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.747 1.899 9.646 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.412 0.471 9.244 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.894 2.431 8.802 1.00 0.69 C ATOM 0 H VAL A 93 -5.332 0.328 10.814 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.136 1.842 11.705 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.879 2.533 9.462 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.187 0.436 8.178 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.545 0.128 9.809 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.263 -0.176 9.456 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.630 2.364 7.746 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.790 1.839 8.990 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.086 3.472 9.063 1.00 0.69 H new ATOM 1202 N GLU A 94 -5.930 3.536 11.202 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.592 4.796 11.514 1.00 0.69 C ATOM 1204 C GLU A 94 -6.618 5.006 13.021 1.00 0.67 C ATOM 1205 O GLU A 94 -6.509 6.133 13.505 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.016 4.815 10.959 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.657 6.193 10.972 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.259 7.033 9.774 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -8.207 6.482 8.654 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -7.998 8.240 9.955 1.00 2.25 O ATOM 0 H GLU A 94 -6.523 2.847 10.739 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.032 5.605 11.046 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.003 4.439 9.936 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.633 4.131 11.542 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.741 6.085 10.991 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.372 6.713 11.887 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.745 3.907 13.759 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.764 3.967 15.213 1.00 0.61 C ATOM 1219 C ARG A 95 -5.404 4.415 15.728 1.00 0.70 C ATOM 1220 O ARG A 95 -5.306 5.336 16.540 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.130 2.603 15.803 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.127 2.576 17.323 1.00 0.87 C ATOM 1223 CD ARG A 95 -7.405 1.181 17.856 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.157 1.212 19.108 1.00 2.18 N ATOM 1225 CZ ARG A 95 -8.555 0.123 19.761 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -8.274 -1.085 19.286 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.233 0.240 20.894 1.00 3.75 N ATOM 0 H ARG A 95 -6.836 2.967 13.373 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.519 4.689 15.524 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.118 2.315 15.445 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.427 1.856 15.433 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.161 2.922 17.692 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.879 3.268 17.702 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -7.964 0.613 17.112 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -6.461 0.658 18.013 1.00 1.58 H new ATOM 0 HE ARG A 95 -8.391 2.122 19.505 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -7.750 -1.182 18.416 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -8.582 -1.916 19.791 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.450 1.165 21.265 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -9.538 -0.595 21.394 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.352 3.768 15.233 1.00 0.73 N ATOM 1242 CA GLU A 96 -2.993 4.113 15.629 1.00 0.86 C ATOM 1243 C GLU A 96 -2.682 5.553 15.233 1.00 0.90 C ATOM 1244 O GLU A 96 -2.130 6.322 16.021 1.00 1.05 O ATOM 1245 CB GLU A 96 -1.988 3.157 14.979 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.045 2.498 15.972 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.982 0.992 15.806 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -1.872 0.298 16.341 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -0.042 0.508 15.142 1.00 1.89 O ATOM 0 H GLU A 96 -4.416 3.005 14.559 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.911 4.019 16.712 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.533 2.383 14.439 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.401 3.706 14.243 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.045 2.915 15.850 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.368 2.735 16.986 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.053 5.912 14.007 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.828 7.260 13.505 1.00 0.92 C ATOM 1258 C ALA A 97 -3.655 8.272 14.288 1.00 1.00 C ATOM 1259 O ALA A 97 -3.147 9.308 14.717 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.161 7.334 12.021 1.00 0.87 C ATOM 0 H ALA A 97 -3.511 5.286 13.344 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.774 7.505 13.638 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.988 8.348 11.659 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.527 6.639 11.471 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.207 7.068 11.869 1.00 0.87 H new ATOM 1266 N SER A 98 -4.934 7.959 14.479 1.00 0.92 N ATOM 1267 CA SER A 98 -5.832 8.836 15.219 1.00 1.01 C ATOM 1268 C SER A 98 -5.333 9.030 16.646 1.00 1.07 C ATOM 1269 O SER A 98 -5.369 10.137 17.182 1.00 1.18 O ATOM 1270 CB SER A 98 -7.248 8.257 15.234 1.00 0.99 C ATOM 1271 OG SER A 98 -8.133 9.094 15.959 1.00 1.50 O ATOM 0 H SER A 98 -5.370 7.105 14.131 1.00 0.92 H new ATOM 0 HA SER A 98 -5.853 9.805 14.721 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.608 8.141 14.212 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.233 7.263 15.682 1.00 0.99 H new ATOM 0 HG SER A 98 -9.032 8.703 15.953 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.860 7.944 17.251 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.343 7.994 18.613 1.00 1.13 C ATOM 1279 C GLU A 99 -2.993 8.703 18.649 1.00 1.27 C ATOM 1280 O GLU A 99 -2.640 9.335 19.645 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.208 6.582 19.183 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.514 6.494 20.670 1.00 1.76 C ATOM 1283 CD GLU A 99 -4.647 5.063 21.153 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.869 4.169 20.309 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -4.529 4.836 22.376 1.00 2.68 O ATOM 0 H GLU A 99 -4.824 7.020 16.819 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.048 8.556 19.226 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.880 5.915 18.642 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.194 6.224 19.007 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.722 6.991 21.230 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.439 7.032 20.880 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.245 8.594 17.555 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.934 9.226 17.459 1.00 1.37 C ATOM 1294 C GLN A 100 -1.062 10.714 17.138 1.00 1.48 C ATOM 1295 O GLN A 100 -0.145 11.494 17.393 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.089 8.535 16.388 1.00 1.33 C ATOM 1297 CG GLN A 100 0.667 7.318 16.901 1.00 1.96 C ATOM 1298 CD GLN A 100 2.152 7.384 16.601 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.612 6.888 15.572 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.910 7.999 17.501 1.00 2.35 N ATOM 0 H GLN A 100 -2.524 8.074 16.723 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.442 9.124 18.426 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.737 8.230 15.566 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.625 9.252 15.982 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.521 7.232 17.978 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.249 6.418 16.450 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.486 8.396 18.340 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.916 8.075 17.354 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.206 11.102 16.576 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.451 12.497 16.219 1.00 1.59 C ATOM 1309 C GLU A 101 -1.481 12.958 15.135 1.00 1.58 C ATOM 1310 O GLU A 101 -0.975 14.080 15.173 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.327 13.392 17.455 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.658 13.685 18.129 1.00 2.02 C ATOM 1313 CD GLU A 101 -4.098 15.125 17.952 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.421 16.023 18.495 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -5.119 15.355 17.271 1.00 2.04 O ATOM 0 H GLU A 101 -2.977 10.470 16.359 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.465 12.575 15.828 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.662 12.914 18.174 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.860 14.334 17.166 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -4.421 13.023 17.720 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.579 13.461 19.193 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.228 12.084 14.166 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.322 12.398 13.067 1.00 1.36 C ATOM 1324 C LYS A 102 -1.089 12.544 11.755 1.00 1.24 C ATOM 1325 O LYS A 102 -2.256 12.162 11.664 1.00 1.16 O ATOM 1326 CB LYS A 102 0.745 11.309 12.934 1.00 1.37 C ATOM 1327 CG LYS A 102 2.075 11.679 13.572 1.00 1.77 C ATOM 1328 CD LYS A 102 1.906 12.047 15.038 1.00 2.28 C ATOM 1329 CE LYS A 102 3.032 11.481 15.888 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.437 12.418 16.972 1.00 2.36 N ATOM 0 H LYS A 102 -1.638 11.151 14.120 1.00 1.36 H new ATOM 0 HA LYS A 102 0.165 13.348 13.287 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.375 10.391 13.391 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.905 11.096 11.877 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.768 10.842 13.483 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.517 12.517 13.034 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.881 13.132 15.141 1.00 2.28 H new ATOM 0 HD3 LYS A 102 0.950 11.670 15.401 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.715 10.535 16.326 1.00 2.19 H new ATOM 0 HE3 LYS A 102 3.892 11.266 15.254 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.207 11.994 17.528 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.764 13.312 16.554 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 2.623 12.603 17.593 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.442 13.101 10.716 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.072 13.294 9.406 1.00 1.21 C ATOM 1346 C PRO A 103 -1.450 11.971 8.748 1.00 1.01 C ATOM 1347 O PRO A 103 -0.648 11.038 8.697 1.00 0.97 O ATOM 1348 CB PRO A 103 0.004 14.013 8.585 1.00 1.28 C ATOM 1349 CG PRO A 103 1.287 13.706 9.277 1.00 1.36 C ATOM 1350 CD PRO A 103 0.950 13.584 10.735 1.00 1.42 C ATOM 0 HA PRO A 103 -2.004 13.853 9.484 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.017 13.658 7.554 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.178 15.087 8.550 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.723 12.782 8.898 1.00 1.36 H new ATOM 0 HG3 PRO A 103 2.019 14.496 9.110 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.613 12.885 11.245 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.038 14.540 11.251 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.678 11.897 8.247 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.168 10.688 7.593 1.00 0.93 C ATOM 1360 C LEU A 104 -2.462 10.461 6.258 1.00 0.85 C ATOM 1361 O LEU A 104 -2.336 9.327 5.797 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.681 10.779 7.380 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.523 9.966 8.365 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -5.216 8.482 8.232 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -5.278 10.438 9.790 1.00 1.51 C ATOM 0 H LEU A 104 -3.353 12.661 8.281 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.950 9.840 8.242 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.980 11.825 7.447 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.911 10.446 6.368 1.00 1.11 H new ATOM 0 HG LEU A 104 -6.576 10.120 8.128 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -5.824 7.920 8.940 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -5.443 8.153 7.218 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -4.161 8.309 8.442 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.885 9.849 10.478 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.224 10.314 10.038 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -5.549 11.490 9.877 1.00 1.51 H new ATOM 1371 N MET A 105 -2.006 11.547 5.639 1.00 0.98 N ATOM 1372 CA MET A 105 -1.316 11.465 4.355 1.00 0.99 C ATOM 1373 C MET A 105 -0.108 10.537 4.443 1.00 0.76 C ATOM 1374 O MET A 105 0.079 9.663 3.595 1.00 0.81 O ATOM 1375 CB MET A 105 -0.873 12.858 3.901 1.00 1.22 C ATOM 1376 CG MET A 105 -1.274 13.187 2.472 1.00 1.08 C ATOM 1377 SD MET A 105 -2.858 14.043 2.375 1.00 1.56 S ATOM 1378 CE MET A 105 -3.823 13.104 3.556 1.00 1.27 C ATOM 0 H MET A 105 -2.102 12.494 6.006 1.00 0.98 H new ATOM 0 HA MET A 105 -2.012 11.056 3.623 1.00 0.99 H new ATOM 0 HB2 MET A 105 -1.302 13.603 4.571 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.211 12.934 3.992 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.502 13.807 2.016 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.327 12.265 1.892 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.878 13.355 3.445 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.683 12.038 3.375 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.497 13.346 4.567 1.00 1.27 H new ATOM 1388 N ALA A 106 0.709 10.733 5.471 1.00 0.70 N ATOM 1389 CA ALA A 106 1.899 9.915 5.669 1.00 0.63 C ATOM 1390 C ALA A 106 1.527 8.501 6.109 1.00 0.54 C ATOM 1391 O ALA A 106 2.070 7.517 5.602 1.00 0.61 O ATOM 1392 CB ALA A 106 2.821 10.565 6.691 1.00 0.84 C ATOM 0 H ALA A 106 0.569 11.452 6.181 1.00 0.70 H new ATOM 0 HA ALA A 106 2.424 9.843 4.717 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.706 9.944 6.830 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.121 11.550 6.335 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.297 10.667 7.641 1.00 0.84 H new ATOM 1398 N HIS A 107 0.599 8.409 7.057 1.00 0.53 N ATOM 1399 CA HIS A 107 0.152 7.118 7.574 1.00 0.60 C ATOM 1400 C HIS A 107 -0.129 6.134 6.443 1.00 0.55 C ATOM 1401 O HIS A 107 0.384 5.015 6.439 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.102 7.297 8.431 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.090 6.481 9.687 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.293 6.780 10.771 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.784 5.369 10.027 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.496 5.887 11.724 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.396 5.021 11.298 1.00 2.34 N ATOM 0 H HIS A 107 0.141 9.214 7.484 1.00 0.53 H new ATOM 0 HA HIS A 107 0.954 6.709 8.189 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.206 8.350 8.693 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.977 7.027 7.840 1.00 0.70 H new ATOM 0 HD2 HIS A 107 -2.507 4.852 9.414 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.008 5.869 12.687 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -1.747 4.222 11.827 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.942 6.558 5.482 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.286 5.712 4.346 1.00 0.46 C ATOM 1418 C TRP A 108 -0.057 5.422 3.492 1.00 0.43 C ATOM 1419 O TRP A 108 0.173 4.282 3.090 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.375 6.376 3.500 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.728 6.328 4.141 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.329 5.240 4.705 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.648 7.417 4.287 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.565 5.585 5.193 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.784 6.915 4.949 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.621 8.765 3.922 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.882 7.715 5.254 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.713 9.559 4.226 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.830 9.032 4.887 1.00 2.00 C ATOM 0 H TRP A 108 -1.375 7.482 5.467 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.666 4.765 4.729 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.102 7.416 3.318 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.422 5.884 2.528 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.896 4.252 4.759 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.215 4.953 5.661 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.764 9.180 3.412 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.745 7.310 5.762 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.704 10.603 3.949 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.666 9.678 5.111 1.00 2.00 H new ATOM 1440 N ALA A 109 0.733 6.458 3.223 1.00 0.47 N ATOM 1441 CA ALA A 109 1.943 6.312 2.420 1.00 0.51 C ATOM 1442 C ALA A 109 2.859 5.243 3.003 1.00 0.49 C ATOM 1443 O ALA A 109 3.373 4.389 2.280 1.00 0.64 O ATOM 1444 CB ALA A 109 2.677 7.641 2.324 1.00 0.62 C ATOM 0 H ALA A 109 0.557 7.408 3.550 1.00 0.47 H new ATOM 0 HA ALA A 109 1.650 5.999 1.418 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.577 7.517 1.722 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.028 8.382 1.857 1.00 0.62 H new ATOM 0 HB3 ALA A 109 2.952 7.978 3.323 1.00 0.62 H new ATOM 1450 N HIS A 110 3.055 5.290 4.315 1.00 0.44 N ATOM 1451 CA HIS A 110 3.901 4.318 4.992 1.00 0.53 C ATOM 1452 C HIS A 110 3.151 3.005 5.176 1.00 0.60 C ATOM 1453 O HIS A 110 3.724 1.923 5.033 1.00 0.86 O ATOM 1454 CB HIS A 110 4.356 4.861 6.348 1.00 0.57 C ATOM 1455 CG HIS A 110 5.252 3.925 7.098 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.570 4.213 7.388 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.014 2.699 7.623 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.102 3.205 8.058 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.179 2.275 8.212 1.00 2.16 N ATOM 0 H HIS A 110 2.640 5.990 4.930 1.00 0.44 H new ATOM 0 HA HIS A 110 4.782 4.136 4.377 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.878 5.806 6.195 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.478 5.076 6.957 1.00 0.57 H new ATOM 0 HD1 HIS A 110 7.058 5.070 7.126 1.00 1.58 H new ATOM 0 HD2 HIS A 110 4.081 2.156 7.585 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.119 3.152 8.418 1.00 1.93 H new ATOM 1468 N MET A 111 1.862 3.109 5.489 1.00 0.50 N ATOM 1469 CA MET A 111 1.027 1.933 5.689 1.00 0.59 C ATOM 1470 C MET A 111 1.056 1.033 4.458 1.00 0.59 C ATOM 1471 O MET A 111 1.349 -0.158 4.555 1.00 0.78 O ATOM 1472 CB MET A 111 -0.411 2.354 5.995 1.00 0.63 C ATOM 1473 CG MET A 111 -0.686 2.549 7.477 1.00 1.24 C ATOM 1474 SD MET A 111 -0.377 1.058 8.447 1.00 2.04 S ATOM 1475 CE MET A 111 -1.029 -0.200 7.352 1.00 1.59 C ATOM 0 H MET A 111 1.375 3.997 5.609 1.00 0.50 H new ATOM 0 HA MET A 111 1.423 1.372 6.536 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.628 3.283 5.468 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.093 1.599 5.604 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.061 3.359 7.854 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.723 2.857 7.612 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.208 -1.116 7.916 1.00 1.59 H new ATOM 0 HE2 MET A 111 -1.966 0.147 6.916 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.310 -0.398 6.557 1.00 1.59 H new ATOM 1485 N VAL A 112 0.750 1.614 3.302 1.00 0.51 N ATOM 1486 CA VAL A 112 0.743 0.866 2.050 1.00 0.58 C ATOM 1487 C VAL A 112 2.092 0.195 1.797 1.00 0.64 C ATOM 1488 O VAL A 112 2.161 -1.012 1.549 1.00 0.78 O ATOM 1489 CB VAL A 112 0.392 1.774 0.851 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -1.098 2.083 0.835 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.208 3.058 0.882 1.00 1.42 C ATOM 0 H VAL A 112 0.504 2.599 3.207 1.00 0.51 H new ATOM 0 HA VAL A 112 -0.024 0.098 2.147 1.00 0.58 H new ATOM 0 HB VAL A 112 0.643 1.239 -0.065 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -1.328 2.724 -0.016 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.661 1.154 0.752 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -1.374 2.593 1.758 1.00 1.46 H new ATOM 0 HG21 VAL A 112 0.941 3.679 0.027 1.00 1.42 H new ATOM 0 HG22 VAL A 112 0.998 3.600 1.804 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.270 2.816 0.837 1.00 1.42 H new ATOM 1495 N VAL A 113 3.163 0.980 1.865 1.00 0.61 N ATOM 1496 CA VAL A 113 4.507 0.461 1.645 1.00 0.72 C ATOM 1497 C VAL A 113 4.827 -0.668 2.619 1.00 0.82 C ATOM 1498 O VAL A 113 5.364 -1.704 2.227 1.00 1.03 O ATOM 1499 CB VAL A 113 5.570 1.570 1.785 1.00 0.73 C ATOM 1500 CG1 VAL A 113 6.962 1.022 1.499 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.252 2.735 0.860 1.00 0.63 C ATOM 0 H VAL A 113 3.125 1.978 2.071 1.00 0.61 H new ATOM 0 HA VAL A 113 4.534 0.074 0.626 1.00 0.72 H new ATOM 0 HB VAL A 113 5.552 1.933 2.813 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.696 1.821 1.603 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.191 0.224 2.205 1.00 0.97 H new ATOM 0 HG13 VAL A 113 6.996 0.628 0.483 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.013 3.507 0.973 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.239 2.387 -0.173 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.276 3.147 1.116 1.00 0.63 H new ATOM 1505 N HIS A 114 4.493 -0.466 3.890 1.00 0.75 N ATOM 1506 CA HIS A 114 4.747 -1.478 4.908 1.00 0.85 C ATOM 1507 C HIS A 114 4.008 -2.772 4.573 1.00 0.96 C ATOM 1508 O HIS A 114 4.606 -3.845 4.516 1.00 1.08 O ATOM 1509 CB HIS A 114 4.345 -0.953 6.300 1.00 0.89 C ATOM 1510 CG HIS A 114 3.217 -1.700 6.955 1.00 0.99 C ATOM 1511 ND1 HIS A 114 3.287 -3.040 7.274 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.987 -1.289 7.346 1.00 1.57 C ATOM 1513 CE1 HIS A 114 2.149 -3.419 7.830 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.344 -2.374 7.885 1.00 1.36 N ATOM 0 H HIS A 114 4.049 0.384 4.237 1.00 0.75 H new ATOM 0 HA HIS A 114 5.815 -1.696 4.925 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.216 -0.994 6.953 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.063 0.096 6.209 1.00 0.89 H new ATOM 0 HD1 HIS A 114 4.091 -3.644 7.107 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.586 -0.291 7.251 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.917 -4.414 8.180 1.00 1.30 H new ATOM 1523 N GLY A 115 2.705 -2.659 4.357 1.00 1.03 N ATOM 1524 CA GLY A 115 1.901 -3.823 4.039 1.00 1.18 C ATOM 1525 C GLY A 115 2.258 -4.447 2.703 1.00 1.20 C ATOM 1526 O GLY A 115 1.907 -5.598 2.441 1.00 1.36 O ATOM 0 H GLY A 115 2.189 -1.780 4.396 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.024 -4.568 4.825 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.849 -3.539 4.031 1.00 1.18 H new ATOM 1530 N SER A 116 2.946 -3.695 1.852 1.00 1.17 N ATOM 1531 CA SER A 116 3.331 -4.201 0.540 1.00 1.26 C ATOM 1532 C SER A 116 4.550 -5.117 0.622 1.00 1.36 C ATOM 1533 O SER A 116 4.494 -6.273 0.211 1.00 1.63 O ATOM 1534 CB SER A 116 3.628 -3.048 -0.417 1.00 1.31 C ATOM 1535 OG SER A 116 2.498 -2.207 -0.577 1.00 1.72 O ATOM 0 H SER A 116 3.247 -2.740 2.045 1.00 1.17 H new ATOM 0 HA SER A 116 2.489 -4.781 0.162 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.467 -2.465 -0.038 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.928 -3.445 -1.386 1.00 1.31 H new ATOM 0 HG SER A 116 2.581 -1.431 0.016 1.00 1.72 H new ATOM 1541 N LEU A 117 5.656 -4.583 1.128 1.00 1.28 N ATOM 1542 CA LEU A 117 6.898 -5.347 1.230 1.00 1.49 C ATOM 1543 C LEU A 117 6.956 -6.209 2.492 1.00 1.69 C ATOM 1544 O LEU A 117 7.359 -7.371 2.437 1.00 1.94 O ATOM 1545 CB LEU A 117 8.094 -4.394 1.203 1.00 1.49 C ATOM 1546 CG LEU A 117 9.426 -5.037 0.808 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.021 -4.341 -0.407 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.401 -5.002 1.973 1.00 2.38 C ATOM 0 H LEU A 117 5.720 -3.626 1.474 1.00 1.28 H new ATOM 0 HA LEU A 117 6.933 -6.022 0.375 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.878 -3.584 0.506 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.203 -3.945 2.190 1.00 1.49 H new ATOM 0 HG LEU A 117 9.238 -6.078 0.547 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.967 -4.814 -0.670 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.330 -4.420 -1.246 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.193 -3.290 -0.176 1.00 2.07 H new ATOM 0 HD21 LEU A 117 11.342 -5.463 1.674 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.581 -3.968 2.266 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.980 -5.550 2.816 1.00 2.38 H new ATOM 1554 N HIS A 118 6.578 -5.634 3.627 1.00 1.70 N ATOM 1555 CA HIS A 118 6.615 -6.353 4.898 1.00 2.04 C ATOM 1556 C HIS A 118 5.794 -7.640 4.858 1.00 2.25 C ATOM 1557 O HIS A 118 5.990 -8.531 5.685 1.00 2.60 O ATOM 1558 CB HIS A 118 6.112 -5.456 6.031 1.00 2.10 C ATOM 1559 CG HIS A 118 6.538 -5.912 7.392 1.00 2.30 C ATOM 1560 ND1 HIS A 118 5.725 -5.827 8.502 1.00 2.63 N ATOM 1561 CD2 HIS A 118 7.700 -6.462 7.819 1.00 2.93 C ATOM 1562 CE1 HIS A 118 6.368 -6.303 9.554 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.567 -6.694 9.166 1.00 3.28 N ATOM 0 H HIS A 118 6.242 -4.673 3.695 1.00 1.70 H new ATOM 0 HA HIS A 118 7.654 -6.628 5.080 1.00 2.04 H new ATOM 0 HB2 HIS A 118 6.474 -4.441 5.867 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.023 -5.416 5.995 1.00 2.10 H new ATOM 0 HD2 HIS A 118 8.568 -6.678 7.214 1.00 2.93 H new ATOM 0 HE1 HIS A 118 5.979 -6.362 10.560 1.00 3.13 H new ATOM 0 HE2 HIS A 118 8.280 -7.103 9.770 1.00 3.28 H new ATOM 1572 N LEU A 119 4.860 -7.733 3.918 1.00 2.15 N ATOM 1573 CA LEU A 119 4.009 -8.914 3.814 1.00 2.45 C ATOM 1574 C LEU A 119 4.557 -9.945 2.830 1.00 2.53 C ATOM 1575 O LEU A 119 4.236 -11.129 2.929 1.00 2.98 O ATOM 1576 CB LEU A 119 2.592 -8.515 3.402 1.00 2.52 C ATOM 1577 CG LEU A 119 1.586 -9.669 3.357 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.199 -9.184 3.753 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.560 -10.304 1.974 1.00 2.27 C ATOM 0 H LEU A 119 4.673 -7.011 3.222 1.00 2.15 H new ATOM 0 HA LEU A 119 3.991 -9.377 4.801 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.226 -7.760 4.097 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.633 -8.049 2.418 1.00 2.52 H new ATOM 0 HG LEU A 119 1.901 -10.427 4.074 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.502 -10.017 3.715 1.00 3.30 H new ATOM 0 HD12 LEU A 119 0.230 -8.781 4.765 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.125 -8.405 3.062 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.839 -11.122 1.963 1.00 2.27 H new ATOM 0 HD22 LEU A 119 1.272 -9.556 1.236 1.00 2.27 H new ATOM 0 HD23 LEU A 119 2.550 -10.690 1.732 1.00 2.27 H new ATOM 1585 N LEU A 120 5.366 -9.505 1.870 1.00 2.25 N ATOM 1586 CA LEU A 120 5.915 -10.426 0.879 1.00 2.47 C ATOM 1587 C LEU A 120 7.429 -10.283 0.730 1.00 2.57 C ATOM 1588 O LEU A 120 8.160 -11.270 0.806 1.00 3.07 O ATOM 1589 CB LEU A 120 5.233 -10.209 -0.472 1.00 2.62 C ATOM 1590 CG LEU A 120 5.336 -8.792 -1.035 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.495 -8.688 -2.016 1.00 3.20 C ATOM 1592 CD2 LEU A 120 4.028 -8.392 -1.704 1.00 2.88 C ATOM 0 H LEU A 120 5.653 -8.533 1.757 1.00 2.25 H new ATOM 0 HA LEU A 120 5.718 -11.438 1.232 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.665 -10.902 -1.194 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.179 -10.468 -0.374 1.00 2.62 H new ATOM 0 HG LEU A 120 5.526 -8.105 -0.210 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.552 -7.672 -2.406 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.427 -8.934 -1.506 1.00 3.20 H new ATOM 0 HD13 LEU A 120 6.338 -9.384 -2.840 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.116 -7.380 -2.100 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.810 -9.083 -2.518 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.220 -8.426 -0.973 1.00 2.88 H new ATOM 1598 N GLY A 121 7.896 -9.060 0.504 1.00 2.56 N ATOM 1599 CA GLY A 121 9.320 -8.837 0.331 1.00 3.27 C ATOM 1600 C GLY A 121 9.686 -8.605 -1.120 1.00 3.49 C ATOM 1601 O GLY A 121 10.328 -9.445 -1.753 1.00 4.12 O ATOM 0 H GLY A 121 7.317 -8.223 0.438 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.627 -7.976 0.924 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.870 -9.698 0.711 1.00 3.27 H new ATOM 1605 N TYR A 122 9.258 -7.467 -1.652 1.00 3.41 N ATOM 1606 CA TYR A 122 9.516 -7.112 -3.044 1.00 4.05 C ATOM 1607 C TYR A 122 11.011 -7.054 -3.365 1.00 4.04 C ATOM 1608 O TYR A 122 11.392 -6.949 -4.531 1.00 4.29 O ATOM 1609 CB TYR A 122 8.854 -5.774 -3.371 1.00 4.92 C ATOM 1610 CG TYR A 122 7.394 -5.912 -3.734 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.985 -6.861 -4.663 1.00 5.29 C ATOM 1612 CD2 TYR A 122 6.426 -5.109 -3.144 1.00 5.07 C ATOM 1613 CE1 TYR A 122 5.653 -7.007 -4.995 1.00 5.72 C ATOM 1614 CE2 TYR A 122 5.090 -5.248 -3.473 1.00 5.49 C ATOM 1615 CZ TYR A 122 4.710 -6.199 -4.398 1.00 5.83 C ATOM 1616 OH TYR A 122 3.382 -6.347 -4.725 1.00 6.50 O ATOM 0 H TYR A 122 8.725 -6.767 -1.135 1.00 3.41 H new ATOM 0 HA TYR A 122 9.086 -7.898 -3.665 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.948 -5.109 -2.513 1.00 4.92 H new ATOM 0 HB3 TYR A 122 9.386 -5.304 -4.198 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.722 -7.495 -5.133 1.00 5.29 H new ATOM 0 HD2 TYR A 122 6.721 -4.366 -2.418 1.00 5.07 H new ATOM 0 HE1 TYR A 122 5.352 -7.750 -5.718 1.00 5.72 H new ATOM 0 HE2 TYR A 122 4.348 -4.616 -3.008 1.00 5.49 H new ATOM 0 HH TYR A 122 2.877 -5.573 -4.400 1.00 6.50 H new ATOM 1626 N ASP A 123 11.856 -7.127 -2.341 1.00 4.20 N ATOM 1627 CA ASP A 123 13.301 -7.086 -2.541 1.00 4.65 C ATOM 1628 C ASP A 123 13.852 -8.469 -2.895 1.00 4.02 C ATOM 1629 O ASP A 123 14.903 -8.873 -2.397 1.00 4.67 O ATOM 1630 CB ASP A 123 13.994 -6.555 -1.285 1.00 5.43 C ATOM 1631 CG ASP A 123 15.472 -6.299 -1.503 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.824 -5.688 -2.535 1.00 6.82 O ATOM 1633 OD2 ASP A 123 16.280 -6.710 -0.643 1.00 6.57 O ATOM 0 H ASP A 123 11.566 -7.215 -1.367 1.00 4.20 H new ATOM 0 HA ASP A 123 13.504 -6.415 -3.375 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.511 -5.630 -0.971 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.868 -7.272 -0.474 1.00 5.43 H new ATOM 1638 N HIS A 124 13.139 -9.193 -3.757 1.00 2.97 N ATOM 1639 CA HIS A 124 13.564 -10.527 -4.170 1.00 2.45 C ATOM 1640 C HIS A 124 14.741 -10.452 -5.136 1.00 2.10 C ATOM 1641 O HIS A 124 15.811 -11.001 -4.872 1.00 2.45 O ATOM 1642 CB HIS A 124 12.404 -11.298 -4.812 1.00 2.23 C ATOM 1643 CG HIS A 124 11.577 -10.491 -5.770 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.600 -9.605 -5.364 1.00 2.46 N ATOM 1645 CD2 HIS A 124 11.577 -10.449 -7.126 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.036 -9.055 -6.426 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.611 -9.550 -7.505 1.00 3.06 N ATOM 0 H HIS A 124 12.267 -8.878 -4.181 1.00 2.97 H new ATOM 0 HA HIS A 124 13.884 -11.062 -3.276 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.806 -12.163 -5.338 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.756 -11.678 -4.023 1.00 2.23 H new ATOM 0 HD2 HIS A 124 12.217 -11.017 -7.785 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.240 -8.325 -6.412 1.00 2.83 H new ATOM 0 HE2 HIS A 124 10.376 -9.304 -8.467 1.00 3.06 H new ATOM 1656 N ILE A 125 14.539 -9.764 -6.252 1.00 1.91 N ATOM 1657 CA ILE A 125 15.586 -9.608 -7.255 1.00 2.11 C ATOM 1658 C ILE A 125 16.506 -8.451 -6.894 1.00 2.10 C ATOM 1659 O ILE A 125 16.045 -7.348 -6.603 1.00 1.90 O ATOM 1660 CB ILE A 125 14.998 -9.364 -8.656 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.072 -8.147 -8.637 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.255 -10.599 -9.145 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.467 -7.833 -9.984 1.00 3.27 C ATOM 0 H ILE A 125 13.659 -9.304 -6.486 1.00 1.91 H new ATOM 0 HA ILE A 125 16.154 -10.538 -7.272 1.00 2.11 H new ATOM 0 HB ILE A 125 15.816 -9.164 -9.348 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.271 -8.321 -7.919 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.631 -7.279 -8.287 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.846 -10.408 -10.137 1.00 2.86 H new ATOM 0 HG22 ILE A 125 14.943 -11.443 -9.192 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.443 -10.832 -8.456 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.821 -6.959 -9.898 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.262 -7.628 -10.701 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.880 -8.685 -10.327 1.00 3.27 H new ATOM 1667 N GLU A 126 17.808 -8.709 -6.905 1.00 2.54 N ATOM 1668 CA GLU A 126 18.792 -7.686 -6.569 1.00 2.75 C ATOM 1669 C GLU A 126 19.132 -6.814 -7.777 1.00 2.70 C ATOM 1670 O GLU A 126 19.980 -5.926 -7.685 1.00 2.83 O ATOM 1671 CB GLU A 126 20.065 -8.340 -6.029 1.00 3.67 C ATOM 1672 CG GLU A 126 20.632 -9.415 -6.942 1.00 4.39 C ATOM 1673 CD GLU A 126 20.224 -10.813 -6.520 1.00 5.41 C ATOM 1674 OE1 GLU A 126 20.041 -11.038 -5.305 1.00 6.01 O ATOM 1675 OE2 GLU A 126 20.086 -11.684 -7.405 1.00 5.87 O ATOM 0 H GLU A 126 18.207 -9.617 -7.143 1.00 2.54 H new ATOM 0 HA GLU A 126 18.356 -7.045 -5.803 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.821 -7.570 -5.875 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.853 -8.778 -5.054 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.295 -9.235 -7.963 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.720 -9.344 -6.949 1.00 4.39 H new ATOM 1682 N ASP A 127 18.485 -7.075 -8.910 1.00 2.79 N ATOM 1683 CA ASP A 127 18.749 -6.311 -10.124 1.00 3.14 C ATOM 1684 C ASP A 127 17.860 -5.073 -10.240 1.00 2.88 C ATOM 1685 O ASP A 127 18.341 -3.943 -10.152 1.00 3.08 O ATOM 1686 CB ASP A 127 18.556 -7.200 -11.354 1.00 3.66 C ATOM 1687 CG ASP A 127 18.951 -6.500 -12.640 1.00 4.67 C ATOM 1688 OD1 ASP A 127 18.183 -5.633 -13.103 1.00 5.15 O ATOM 1689 OD2 ASP A 127 20.030 -6.819 -13.182 1.00 5.29 O ATOM 0 H ASP A 127 17.779 -7.804 -9.012 1.00 2.79 H new ATOM 0 HA ASP A 127 19.782 -5.968 -10.069 1.00 3.14 H new ATOM 0 HB2 ASP A 127 19.149 -8.107 -11.240 1.00 3.66 H new ATOM 0 HB3 ASP A 127 17.512 -7.508 -11.417 1.00 3.66 H new ATOM 1694 N ASP A 128 16.567 -5.288 -10.473 1.00 2.70 N ATOM 1695 CA ASP A 128 15.625 -4.182 -10.642 1.00 2.87 C ATOM 1696 C ASP A 128 14.861 -3.843 -9.359 1.00 2.37 C ATOM 1697 O ASP A 128 15.218 -2.908 -8.642 1.00 2.51 O ATOM 1698 CB ASP A 128 14.638 -4.503 -11.768 1.00 3.34 C ATOM 1699 CG ASP A 128 14.971 -3.772 -13.054 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.173 -3.569 -13.328 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.030 -3.403 -13.787 1.00 4.15 O ATOM 0 H ASP A 128 16.148 -6.215 -10.549 1.00 2.70 H new ATOM 0 HA ASP A 128 16.215 -3.302 -10.900 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.639 -5.577 -11.953 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.630 -4.235 -11.451 1.00 3.34 H new ATOM 1706 N GLU A 129 13.786 -4.587 -9.102 1.00 2.02 N ATOM 1707 CA GLU A 129 12.929 -4.355 -7.936 1.00 1.94 C ATOM 1708 C GLU A 129 13.722 -4.008 -6.677 1.00 1.62 C ATOM 1709 O GLU A 129 13.293 -3.174 -5.885 1.00 1.65 O ATOM 1710 CB GLU A 129 12.043 -5.576 -7.674 1.00 2.14 C ATOM 1711 CG GLU A 129 10.609 -5.395 -8.144 1.00 3.04 C ATOM 1712 CD GLU A 129 9.648 -5.151 -6.999 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.343 -6.113 -6.264 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.197 -3.997 -6.838 1.00 4.68 O ATOM 0 H GLU A 129 13.484 -5.363 -9.691 1.00 2.02 H new ATOM 0 HA GLU A 129 12.307 -3.492 -8.172 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.475 -6.443 -8.175 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.043 -5.792 -6.606 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.561 -4.556 -8.839 1.00 3.04 H new ATOM 0 HG3 GLU A 129 10.296 -6.283 -8.694 1.00 3.04 H new ATOM 1721 N ALA A 130 14.872 -4.644 -6.485 1.00 1.57 N ATOM 1722 CA ALA A 130 15.690 -4.374 -5.306 1.00 1.56 C ATOM 1723 C ALA A 130 15.964 -2.881 -5.156 1.00 1.41 C ATOM 1724 O ALA A 130 15.360 -2.208 -4.317 1.00 1.33 O ATOM 1725 CB ALA A 130 16.996 -5.147 -5.377 1.00 1.92 C ATOM 0 H ALA A 130 15.257 -5.342 -7.121 1.00 1.57 H new ATOM 0 HA ALA A 130 15.134 -4.705 -4.429 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.593 -4.934 -4.491 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.784 -6.215 -5.424 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.548 -4.847 -6.267 1.00 1.92 H new ATOM 1731 N GLU A 131 16.869 -2.362 -5.980 1.00 1.46 N ATOM 1732 CA GLU A 131 17.213 -0.946 -5.943 1.00 1.46 C ATOM 1733 C GLU A 131 15.967 -0.087 -6.134 1.00 1.38 C ATOM 1734 O GLU A 131 15.762 0.899 -5.423 1.00 1.37 O ATOM 1735 CB GLU A 131 18.246 -0.618 -7.023 1.00 1.66 C ATOM 1736 CG GLU A 131 19.523 -1.436 -6.911 1.00 1.92 C ATOM 1737 CD GLU A 131 20.687 -0.799 -7.643 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.552 -0.529 -8.855 1.00 2.84 O ATOM 1739 OE2 GLU A 131 21.735 -0.568 -7.003 1.00 3.30 O ATOM 0 H GLU A 131 17.377 -2.901 -6.681 1.00 1.46 H new ATOM 0 HA GLU A 131 17.644 -0.725 -4.966 1.00 1.46 H new ATOM 0 HB2 GLU A 131 17.801 -0.787 -8.003 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.496 0.441 -6.965 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.782 -1.557 -5.859 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.348 -2.434 -7.313 1.00 1.92 H new ATOM 1746 N GLU A 132 15.133 -0.476 -7.094 1.00 1.44 N ATOM 1747 CA GLU A 132 13.901 0.247 -7.378 1.00 1.53 C ATOM 1748 C GLU A 132 13.061 0.393 -6.115 1.00 1.29 C ATOM 1749 O GLU A 132 12.818 1.505 -5.647 1.00 1.22 O ATOM 1750 CB GLU A 132 13.098 -0.475 -8.462 1.00 1.86 C ATOM 1751 CG GLU A 132 13.237 0.148 -9.841 1.00 2.46 C ATOM 1752 CD GLU A 132 11.996 0.907 -10.266 1.00 2.96 C ATOM 1753 OE1 GLU A 132 11.184 1.260 -9.384 1.00 3.37 O ATOM 1754 OE2 GLU A 132 11.833 1.148 -11.481 1.00 3.44 O ATOM 0 H GLU A 132 15.290 -1.290 -7.689 1.00 1.44 H new ATOM 0 HA GLU A 132 14.163 1.242 -7.738 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.420 -1.515 -8.509 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.045 -0.480 -8.180 1.00 1.86 H new ATOM 0 HG2 GLU A 132 14.091 0.825 -9.845 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.447 -0.635 -10.570 1.00 2.46 H new ATOM 1761 N MET A 133 12.629 -0.738 -5.559 1.00 1.28 N ATOM 1762 CA MET A 133 11.825 -0.731 -4.341 1.00 1.23 C ATOM 1763 C MET A 133 12.545 0.024 -3.233 1.00 0.98 C ATOM 1764 O MET A 133 11.939 0.823 -2.519 1.00 0.92 O ATOM 1765 CB MET A 133 11.517 -2.159 -3.886 1.00 1.53 C ATOM 1766 CG MET A 133 10.421 -2.833 -4.696 1.00 1.39 C ATOM 1767 SD MET A 133 8.792 -2.650 -3.946 1.00 2.20 S ATOM 1768 CE MET A 133 8.543 -0.884 -4.105 1.00 2.47 C ATOM 0 H MET A 133 12.822 -1.667 -5.932 1.00 1.28 H new ATOM 0 HA MET A 133 10.884 -0.226 -4.559 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.426 -2.757 -3.953 1.00 1.53 H new ATOM 0 HB3 MET A 133 11.223 -2.142 -2.837 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.404 -2.410 -5.700 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.652 -3.893 -4.801 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.508 -0.640 -3.868 1.00 2.47 H new ATOM 0 HE2 MET A 133 9.206 -0.360 -3.417 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.763 -0.576 -5.127 1.00 2.47 H new ATOM 1778 N GLU A 134 13.849 -0.217 -3.105 1.00 1.00 N ATOM 1779 CA GLU A 134 14.647 0.461 -2.091 1.00 0.98 C ATOM 1780 C GLU A 134 14.459 1.969 -2.207 1.00 0.85 C ATOM 1781 O GLU A 134 13.977 2.623 -1.279 1.00 0.92 O ATOM 1782 CB GLU A 134 16.127 0.101 -2.244 1.00 1.17 C ATOM 1783 CG GLU A 134 16.506 -1.212 -1.578 1.00 1.00 C ATOM 1784 CD GLU A 134 17.958 -1.584 -1.808 1.00 1.57 C ATOM 1785 OE1 GLU A 134 18.821 -0.685 -1.724 1.00 2.40 O ATOM 1786 OE2 GLU A 134 18.231 -2.774 -2.070 1.00 2.11 O ATOM 0 H GLU A 134 14.370 -0.872 -3.687 1.00 1.00 H new ATOM 0 HA GLU A 134 14.313 0.134 -1.106 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.371 0.044 -3.305 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.733 0.902 -1.820 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.319 -1.139 -0.507 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.866 -2.007 -1.960 1.00 1.00 H new ATOM 1793 N SER A 135 14.820 2.511 -3.367 1.00 0.80 N ATOM 1794 CA SER A 135 14.669 3.937 -3.617 1.00 0.84 C ATOM 1795 C SER A 135 13.199 4.327 -3.527 1.00 0.80 C ATOM 1796 O SER A 135 12.859 5.410 -3.053 1.00 0.82 O ATOM 1797 CB SER A 135 15.228 4.302 -4.993 1.00 0.97 C ATOM 1798 OG SER A 135 16.641 4.409 -4.959 1.00 1.29 O ATOM 0 H SER A 135 15.218 1.984 -4.145 1.00 0.80 H new ATOM 0 HA SER A 135 15.230 4.486 -2.860 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.935 3.545 -5.720 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.797 5.246 -5.325 1.00 0.97 H new ATOM 0 HG SER A 135 16.973 4.641 -5.851 1.00 1.29 H new ATOM 1804 N LEU A 136 12.329 3.424 -3.975 1.00 0.81 N ATOM 1805 CA LEU A 136 10.890 3.657 -3.937 1.00 0.87 C ATOM 1806 C LEU A 136 10.438 3.961 -2.514 1.00 0.73 C ATOM 1807 O LEU A 136 9.897 5.030 -2.237 1.00 0.85 O ATOM 1808 CB LEU A 136 10.140 2.429 -4.469 1.00 0.98 C ATOM 1809 CG LEU A 136 9.057 2.720 -5.511 1.00 1.16 C ATOM 1810 CD1 LEU A 136 7.890 3.458 -4.876 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.632 3.516 -6.674 1.00 1.73 C ATOM 0 H LEU A 136 12.598 2.523 -4.369 1.00 0.81 H new ATOM 0 HA LEU A 136 10.663 4.515 -4.570 1.00 0.87 H new ATOM 0 HB2 LEU A 136 10.865 1.743 -4.906 1.00 0.98 H new ATOM 0 HB3 LEU A 136 9.680 1.912 -3.627 1.00 0.98 H new ATOM 0 HG LEU A 136 8.689 1.770 -5.899 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.130 3.656 -5.632 1.00 1.17 H new ATOM 0 HD12 LEU A 136 7.461 2.846 -4.082 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.240 4.402 -4.458 1.00 1.17 H new ATOM 0 HD21 LEU A 136 8.847 3.713 -7.404 1.00 1.73 H new ATOM 0 HD22 LEU A 136 10.031 4.461 -6.306 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.431 2.945 -7.146 1.00 1.73 H new ATOM 1817 N GLU A 137 10.666 3.007 -1.617 1.00 0.57 N ATOM 1818 CA GLU A 137 10.286 3.160 -0.219 1.00 0.51 C ATOM 1819 C GLU A 137 11.052 4.303 0.442 1.00 0.52 C ATOM 1820 O GLU A 137 10.506 5.024 1.277 1.00 0.53 O ATOM 1821 CB GLU A 137 10.539 1.856 0.541 1.00 0.52 C ATOM 1822 CG GLU A 137 10.151 1.919 2.008 1.00 1.16 C ATOM 1823 CD GLU A 137 11.307 1.598 2.935 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.217 0.854 2.511 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.304 2.089 4.083 1.00 2.45 O ATOM 0 H GLU A 137 11.114 2.117 -1.836 1.00 0.57 H new ATOM 0 HA GLU A 137 9.223 3.399 -0.185 1.00 0.51 H new ATOM 0 HB2 GLU A 137 9.981 1.052 0.061 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.596 1.600 0.465 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.773 2.916 2.237 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.337 1.219 2.194 1.00 1.16 H new ATOM 1832 N THR A 138 12.319 4.461 0.071 1.00 0.57 N ATOM 1833 CA THR A 138 13.150 5.516 0.642 1.00 0.67 C ATOM 1834 C THR A 138 12.653 6.901 0.223 1.00 0.69 C ATOM 1835 O THR A 138 12.778 7.868 0.976 1.00 0.77 O ATOM 1836 CB THR A 138 14.617 5.317 0.232 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.479 5.568 1.326 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.070 6.200 -0.916 1.00 1.10 C ATOM 0 H THR A 138 12.791 3.876 -0.618 1.00 0.57 H new ATOM 0 HA THR A 138 13.079 5.455 1.728 1.00 0.67 H new ATOM 0 HB THR A 138 14.672 4.280 -0.099 1.00 0.82 H new ATOM 0 HG1 THR A 138 16.409 5.435 1.047 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.117 5.996 -1.141 1.00 1.10 H new ATOM 0 HG22 THR A 138 14.462 5.992 -1.797 1.00 1.10 H new ATOM 0 HG23 THR A 138 14.957 7.247 -0.636 1.00 1.10 H new ATOM 1843 N GLN A 139 12.102 6.990 -0.982 1.00 0.70 N ATOM 1844 CA GLN A 139 11.602 8.259 -1.503 1.00 0.79 C ATOM 1845 C GLN A 139 10.290 8.666 -0.836 1.00 0.67 C ATOM 1846 O GLN A 139 10.064 9.845 -0.571 1.00 0.67 O ATOM 1847 CB GLN A 139 11.412 8.170 -3.018 1.00 0.92 C ATOM 1848 CG GLN A 139 11.822 9.435 -3.758 1.00 1.04 C ATOM 1849 CD GLN A 139 13.069 9.240 -4.599 1.00 1.29 C ATOM 1850 OE1 GLN A 139 14.110 9.843 -4.337 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.968 8.393 -5.618 1.00 1.28 N ATOM 0 H GLN A 139 11.990 6.200 -1.617 1.00 0.70 H new ATOM 0 HA GLN A 139 12.344 9.024 -1.275 1.00 0.79 H new ATOM 0 HB2 GLN A 139 11.993 7.331 -3.400 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.365 7.957 -3.233 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.002 9.758 -4.400 1.00 1.04 H new ATOM 0 HG3 GLN A 139 11.996 10.233 -3.037 1.00 1.04 H new ATOM 0 HE21 GLN A 139 12.085 7.915 -5.798 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.773 8.221 -6.220 1.00 1.28 H new ATOM 1858 N ILE A 140 9.424 7.692 -0.569 1.00 0.60 N ATOM 1859 CA ILE A 140 8.138 7.982 0.068 1.00 0.52 C ATOM 1860 C ILE A 140 8.276 8.038 1.583 1.00 0.47 C ATOM 1861 O ILE A 140 7.574 8.796 2.250 1.00 0.48 O ATOM 1862 CB ILE A 140 7.030 6.955 -0.294 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.564 5.854 -1.217 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.843 7.668 -0.928 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.492 4.920 -1.740 1.00 1.12 C ATOM 0 H ILE A 140 9.584 6.707 -0.780 1.00 0.60 H new ATOM 0 HA ILE A 140 7.835 8.955 -0.319 1.00 0.52 H new ATOM 0 HB ILE A 140 6.699 6.474 0.626 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.073 6.317 -2.062 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.309 5.270 -0.677 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.072 6.939 -1.178 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.439 8.397 -0.226 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.167 8.179 -1.835 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.947 4.169 -2.385 1.00 1.12 H new ATOM 0 HD12 ILE A 140 5.998 4.428 -0.902 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.758 5.491 -2.309 1.00 1.12 H new ATOM 1869 N MET A 141 9.177 7.224 2.124 1.00 0.47 N ATOM 1870 CA MET A 141 9.392 7.176 3.565 1.00 0.51 C ATOM 1871 C MET A 141 10.384 8.241 4.027 1.00 0.62 C ATOM 1872 O MET A 141 10.128 8.960 4.992 1.00 0.71 O ATOM 1873 CB MET A 141 9.872 5.785 3.980 1.00 0.51 C ATOM 1874 CG MET A 141 8.854 4.686 3.708 1.00 0.53 C ATOM 1875 SD MET A 141 7.220 5.064 4.369 1.00 1.02 S ATOM 1876 CE MET A 141 6.379 5.632 2.892 1.00 0.44 C ATOM 0 H MET A 141 9.769 6.590 1.587 1.00 0.47 H new ATOM 0 HA MET A 141 8.438 7.386 4.049 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.795 5.554 3.448 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.110 5.794 5.044 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.777 4.527 2.632 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.210 3.752 4.144 1.00 0.53 H new ATOM 0 HE1 MET A 141 6.043 6.659 3.037 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.064 5.591 2.045 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.519 4.993 2.695 1.00 0.44 H new ATOM 1886 N GLN A 142 11.521 8.330 3.344 1.00 0.66 N ATOM 1887 CA GLN A 142 12.552 9.302 3.700 1.00 0.79 C ATOM 1888 C GLN A 142 12.307 10.660 3.042 1.00 0.80 C ATOM 1889 O GLN A 142 12.872 11.670 3.463 1.00 0.85 O ATOM 1890 CB GLN A 142 13.932 8.774 3.301 1.00 0.90 C ATOM 1891 CG GLN A 142 15.015 9.063 4.328 1.00 1.34 C ATOM 1892 CD GLN A 142 16.411 8.973 3.745 1.00 1.47 C ATOM 1893 OE1 GLN A 142 17.110 9.979 3.615 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.827 7.762 3.389 1.00 1.85 N ATOM 0 H GLN A 142 11.753 7.743 2.543 1.00 0.66 H new ATOM 0 HA GLN A 142 12.511 9.443 4.780 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.869 7.697 3.146 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.220 9.217 2.348 1.00 0.90 H new ATOM 0 HG2 GLN A 142 14.862 10.060 4.741 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.924 8.358 5.154 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.215 6.955 3.514 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.758 7.639 2.991 1.00 1.85 H new ATOM 1901 N GLY A 143 11.479 10.681 2.003 1.00 0.79 N ATOM 1902 CA GLY A 143 11.200 11.924 1.303 1.00 0.84 C ATOM 1903 C GLY A 143 10.361 12.900 2.110 1.00 0.81 C ATOM 1904 O GLY A 143 10.529 14.113 1.985 1.00 1.05 O ATOM 0 H GLY A 143 10.996 9.862 1.633 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.143 12.402 1.037 1.00 0.84 H new ATOM 0 HA3 GLY A 143 10.683 11.698 0.370 1.00 0.84 H new ATOM 1908 N LEU A 144 9.450 12.382 2.928 1.00 0.75 N ATOM 1909 CA LEU A 144 8.584 13.238 3.737 1.00 0.72 C ATOM 1910 C LEU A 144 8.800 13.018 5.234 1.00 0.87 C ATOM 1911 O LEU A 144 8.329 13.806 6.055 1.00 1.01 O ATOM 1912 CB LEU A 144 7.106 13.009 3.383 1.00 0.62 C ATOM 1913 CG LEU A 144 6.818 11.829 2.451 1.00 0.66 C ATOM 1914 CD1 LEU A 144 5.395 11.335 2.648 1.00 0.58 C ATOM 1915 CD2 LEU A 144 7.043 12.223 0.999 1.00 0.81 C ATOM 0 H LEU A 144 9.292 11.382 3.049 1.00 0.75 H new ATOM 0 HA LEU A 144 8.852 14.269 3.507 1.00 0.72 H new ATOM 0 HB2 LEU A 144 6.549 12.861 4.308 1.00 0.62 H new ATOM 0 HB3 LEU A 144 6.718 13.916 2.920 1.00 0.62 H new ATOM 0 HG LEU A 144 7.507 11.021 2.699 1.00 0.66 H new ATOM 0 HD11 LEU A 144 5.205 10.496 1.979 1.00 0.58 H new ATOM 0 HD12 LEU A 144 5.261 11.013 3.681 1.00 0.58 H new ATOM 0 HD13 LEU A 144 4.696 12.141 2.426 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.833 11.370 0.354 1.00 0.81 H new ATOM 0 HD22 LEU A 144 6.379 13.047 0.739 1.00 0.81 H new ATOM 0 HD23 LEU A 144 8.079 12.534 0.863 1.00 0.81 H new ATOM 1921 N GLY A 145 9.507 11.949 5.592 1.00 0.91 N ATOM 1922 CA GLY A 145 9.754 11.667 6.995 1.00 1.11 C ATOM 1923 C GLY A 145 8.476 11.360 7.753 1.00 1.11 C ATOM 1924 O GLY A 145 7.475 12.059 7.602 1.00 1.24 O ATOM 0 H GLY A 145 9.911 11.277 4.940 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.436 10.821 7.079 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.250 12.523 7.454 1.00 1.11 H new ATOM 1928 N PHE A 146 8.507 10.306 8.562 1.00 1.15 N ATOM 1929 CA PHE A 146 7.339 9.901 9.335 1.00 1.25 C ATOM 1930 C PHE A 146 7.709 9.658 10.795 1.00 1.47 C ATOM 1931 O PHE A 146 7.055 10.176 11.697 1.00 99.99 O ATOM 1932 CB PHE A 146 6.718 8.632 8.736 1.00 1.63 C ATOM 1933 CG PHE A 146 6.434 8.733 7.261 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.456 8.973 6.358 1.00 1.15 C ATOM 1935 CD2 PHE A 146 5.142 8.587 6.777 1.00 1.74 C ATOM 1936 CE1 PHE A 146 7.200 9.066 5.007 1.00 1.15 C ATOM 1937 CE2 PHE A 146 4.881 8.679 5.423 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.911 8.920 4.537 1.00 0.93 C ATOM 0 H PHE A 146 9.328 9.717 8.699 1.00 1.15 H new ATOM 0 HA PHE A 146 6.610 10.710 9.293 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.391 7.792 8.910 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.789 8.411 9.261 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.468 9.089 6.717 1.00 1.15 H new ATOM 0 HD2 PHE A 146 4.332 8.399 7.466 1.00 1.74 H new ATOM 0 HE1 PHE A 146 8.009 9.253 4.316 1.00 1.15 H new ATOM 0 HE2 PHE A 146 3.871 8.562 5.058 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.709 8.994 3.479 1.00 0.93 H new