USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1248 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 64 ASN : amide:sc= -1.55 K(o=-2.8,f=-11!) USER MOD Set 1.2: A 98 TYR OH : rot -10:sc= -1.22! USER MOD Set 1.3: A 151 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 2.1: A 143 THR OG1 : rot -28:sc= 0.15 USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.524 X(o=-0.47,f=-0.0045) USER MOD Set 4.2: A 119 SER OG : rot 130:sc= 0.0579 USER MOD Set 5.1: A 103 GLN : amide:sc=-0.00523 X(o=-3.1,f=-3) USER MOD Set 5.2: A 117 GLN : amide:sc= -3.13 K(o=-3.1,f=-9.7!) USER MOD Set 6.1: A 45 CYS SG : rot 62:sc= -2.95 USER MOD Set 6.2: A 165 HIS : no HD1:sc= -1.16 K(o=-4.1,f=-2.9) USER MOD Set 7.1: A 38 SER OG : rot 180:sc= -0.262 USER MOD Set 7.2: A 42 LYS NZ :NH3+ -162:sc= -0.452 (180deg=-0.243) USER MOD Set 8.1: A 21 THR OG1 : rot 151:sc= 0.888 USER MOD Set 8.2: A 23 SER OG : rot 34:sc= 0.897 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 128:sc= -4.81! USER MOD Single : A 49 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.7!) USER MOD Single : A 50 MET CE :methyl -118:sc= -2.22 (180deg=-8.85!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 156:sc= -2.97 (180deg=-4.64!) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc=-0.00598 (180deg=-0.214) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.56) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -108:sc= 0.0626 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 42:sc= -0.761 USER MOD Single : A 101 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.207 USER MOD Single : A 109 SER OG : rot 180:sc= -0.896 USER MOD Single : A 112 GLN : amide:sc= -4.4! K(o=-4.4!,f=-3) USER MOD Single : A 118 MET CE :methyl -150:sc= -0.102 (180deg=-0.635) USER MOD Single : A 120 THR OG1 : rot 25:sc= -5.37! USER MOD Single : A 128 GLN : amide:sc= -5.14! C(o=-5.1!,f=-6.4!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -163:sc= 0.942 (180deg=0.265) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.026) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 139 THR OG1 : rot 49:sc= -0.786 USER MOD Single : A 145 ASN : amide:sc= -6.75! C(o=-6.7!,f=-3.3!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 GLN : amide:sc= -2.83 K(o=-2.8,f=-6.3!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= -0.315 K(o=-0.31,f=-3!) USER MOD Single : A 160 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.2) USER MOD Single : A 162 MET CE :methyl 144:sc= -9.76! (180deg=-14.6!) USER MOD Single : A 163 THR OG1 : rot -2:sc= -1.71 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 SER OG : rot 150:sc= -0.504 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 178 SER OG : rot -57:sc= -0.534! USER MOD Single : A 184 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.094) USER MOD Single : A 185 MET CE :methyl -126:sc= -3.4! (180deg=-5.24!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.005 11.323 1.931 1.00 0.97 N ATOM 21 CA THR A 21 20.463 10.413 0.840 1.00 0.83 C ATOM 22 C THR A 21 19.291 10.096 -0.088 1.00 0.58 C ATOM 23 O THR A 21 18.224 10.667 0.022 1.00 0.44 O ATOM 24 CB THR A 21 20.991 9.107 1.444 1.00 0.82 C ATOM 25 OG1 THR A 21 19.894 8.285 1.818 1.00 2.12 O ATOM 26 CG2 THR A 21 21.844 9.412 2.676 1.00 1.61 C ATOM 0 HA THR A 21 21.257 10.903 0.276 1.00 0.83 H new ATOM 0 HB THR A 21 21.603 8.589 0.705 1.00 0.82 H new ATOM 0 HG1 THR A 21 20.155 7.342 1.754 1.00 2.12 H new ATOM 0 HG21 THR A 21 22.216 8.480 3.101 1.00 1.61 H new ATOM 0 HG22 THR A 21 22.686 10.042 2.389 1.00 1.61 H new ATOM 0 HG23 THR A 21 21.238 9.932 3.418 1.00 1.61 H new ATOM 34 N SER A 22 19.481 9.182 -1.001 1.00 0.64 N ATOM 35 CA SER A 22 18.380 8.820 -1.936 1.00 0.47 C ATOM 36 C SER A 22 17.256 8.144 -1.151 1.00 0.22 C ATOM 37 O SER A 22 16.089 8.411 -1.362 1.00 0.27 O ATOM 38 CB SER A 22 18.912 7.860 -3.000 1.00 0.49 C ATOM 39 OG SER A 22 20.118 8.382 -3.543 1.00 1.48 O ATOM 0 H SER A 22 20.353 8.670 -1.139 1.00 0.64 H new ATOM 0 HA SER A 22 17.997 9.719 -2.420 1.00 0.47 H new ATOM 0 HB2 SER A 22 19.092 6.878 -2.563 1.00 0.49 H new ATOM 0 HB3 SER A 22 18.172 7.727 -3.789 1.00 0.49 H new ATOM 0 HG SER A 22 20.463 7.768 -4.224 1.00 1.48 H new ATOM 45 N SER A 23 17.597 7.271 -0.244 1.00 0.21 N ATOM 46 CA SER A 23 16.546 6.581 0.554 1.00 0.32 C ATOM 47 C SER A 23 15.771 7.615 1.364 1.00 0.34 C ATOM 48 O SER A 23 14.564 7.551 1.468 1.00 0.35 O ATOM 49 CB SER A 23 17.199 5.576 1.503 1.00 0.59 C ATOM 50 OG SER A 23 18.471 6.066 1.904 1.00 1.45 O ATOM 0 H SER A 23 18.557 7.006 -0.021 1.00 0.21 H new ATOM 0 HA SER A 23 15.866 6.055 -0.116 1.00 0.32 H new ATOM 0 HB2 SER A 23 16.566 5.418 2.376 1.00 0.59 H new ATOM 0 HB3 SER A 23 17.308 4.610 1.010 1.00 0.59 H new ATOM 0 HG SER A 23 18.439 7.043 1.970 1.00 1.45 H new ATOM 56 N GLU A 24 16.448 8.577 1.931 1.00 0.44 N ATOM 57 CA GLU A 24 15.725 9.615 2.716 1.00 0.52 C ATOM 58 C GLU A 24 14.723 10.303 1.790 1.00 0.32 C ATOM 59 O GLU A 24 13.614 10.614 2.171 1.00 0.34 O ATOM 60 CB GLU A 24 16.719 10.646 3.259 1.00 0.73 C ATOM 61 CG GLU A 24 17.430 10.077 4.488 1.00 1.59 C ATOM 62 CD GLU A 24 17.680 11.197 5.500 1.00 1.37 C ATOM 63 OE1 GLU A 24 16.868 12.107 5.560 1.00 1.05 O ATOM 64 OE2 GLU A 24 18.679 11.127 6.200 1.00 2.14 O ATOM 0 H GLU A 24 17.461 8.688 1.885 1.00 0.44 H new ATOM 0 HA GLU A 24 15.208 9.154 3.558 1.00 0.52 H new ATOM 0 HB2 GLU A 24 17.449 10.902 2.491 1.00 0.73 H new ATOM 0 HB3 GLU A 24 16.197 11.566 3.522 1.00 0.73 H new ATOM 0 HG2 GLU A 24 16.824 9.293 4.941 1.00 1.59 H new ATOM 0 HG3 GLU A 24 18.375 9.620 4.195 1.00 1.59 H new ATOM 71 N ARG A 25 15.102 10.522 0.561 1.00 0.29 N ATOM 72 CA ARG A 25 14.166 11.166 -0.396 1.00 0.38 C ATOM 73 C ARG A 25 12.952 10.254 -0.573 1.00 0.35 C ATOM 74 O ARG A 25 11.840 10.709 -0.754 1.00 0.51 O ATOM 75 CB ARG A 25 14.864 11.363 -1.744 1.00 0.48 C ATOM 76 CG ARG A 25 15.793 12.575 -1.666 1.00 1.18 C ATOM 77 CD ARG A 25 16.881 12.455 -2.733 1.00 1.81 C ATOM 78 NE ARG A 25 16.964 13.730 -3.499 1.00 1.58 N ATOM 79 CZ ARG A 25 16.633 13.755 -4.761 1.00 1.06 C ATOM 80 NH1 ARG A 25 17.202 12.935 -5.601 1.00 2.43 N ATOM 81 NH2 ARG A 25 15.733 14.603 -5.181 1.00 0.43 N ATOM 0 H ARG A 25 16.018 10.283 0.181 1.00 0.29 H new ATOM 0 HA ARG A 25 13.851 12.138 -0.016 1.00 0.38 H new ATOM 0 HB2 ARG A 25 15.434 10.471 -2.004 1.00 0.48 H new ATOM 0 HB3 ARG A 25 14.124 11.509 -2.531 1.00 0.48 H new ATOM 0 HG2 ARG A 25 15.224 13.493 -1.814 1.00 1.18 H new ATOM 0 HG3 ARG A 25 16.245 12.637 -0.676 1.00 1.18 H new ATOM 0 HD2 ARG A 25 17.841 12.235 -2.266 1.00 1.81 H new ATOM 0 HD3 ARG A 25 16.657 11.627 -3.406 1.00 1.81 H new ATOM 0 HE ARG A 25 17.279 14.583 -3.037 1.00 1.58 H new ATOM 0 HH11 ARG A 25 17.906 12.274 -5.271 1.00 2.43 H new ATOM 0 HH12 ARG A 25 16.943 12.955 -6.587 1.00 2.43 H new ATOM 0 HH21 ARG A 25 15.290 15.244 -4.523 1.00 0.43 H new ATOM 0 HH22 ARG A 25 15.473 14.624 -6.167 1.00 0.43 H new ATOM 95 N ILE A 26 13.159 8.964 -0.513 1.00 0.25 N ATOM 96 CA ILE A 26 12.016 8.023 -0.667 1.00 0.41 C ATOM 97 C ILE A 26 11.045 8.226 0.508 1.00 0.45 C ATOM 98 O ILE A 26 9.865 8.423 0.313 1.00 0.80 O ATOM 99 CB ILE A 26 12.537 6.568 -0.709 1.00 0.44 C ATOM 100 CG1 ILE A 26 13.102 6.293 -2.117 1.00 0.50 C ATOM 101 CG2 ILE A 26 11.392 5.583 -0.402 1.00 0.78 C ATOM 102 CD1 ILE A 26 13.369 4.793 -2.322 1.00 0.38 C ATOM 0 H ILE A 26 14.068 8.525 -0.364 1.00 0.25 H new ATOM 0 HA ILE A 26 11.490 8.220 -1.601 1.00 0.41 H new ATOM 0 HB ILE A 26 13.316 6.433 0.041 1.00 0.44 H new ATOM 0 HG12 ILE A 26 12.398 6.647 -2.870 1.00 0.50 H new ATOM 0 HG13 ILE A 26 14.027 6.853 -2.257 1.00 0.50 H new ATOM 0 HG21 ILE A 26 11.772 4.562 -0.435 1.00 0.78 H new ATOM 0 HG22 ILE A 26 10.991 5.789 0.590 1.00 0.78 H new ATOM 0 HG23 ILE A 26 10.602 5.700 -1.144 1.00 0.78 H new ATOM 0 HD11 ILE A 26 13.767 4.628 -3.323 1.00 0.38 H new ATOM 0 HD12 ILE A 26 14.092 4.448 -1.583 1.00 0.38 H new ATOM 0 HD13 ILE A 26 12.438 4.238 -2.206 1.00 0.38 H new ATOM 114 N ASP A 27 11.529 8.174 1.722 1.00 0.20 N ATOM 115 CA ASP A 27 10.622 8.352 2.897 1.00 0.26 C ATOM 116 C ASP A 27 9.764 9.610 2.713 1.00 0.18 C ATOM 117 O ASP A 27 8.614 9.655 3.107 1.00 0.27 O ATOM 118 CB ASP A 27 11.458 8.442 4.193 1.00 0.35 C ATOM 119 CG ASP A 27 12.132 9.816 4.337 1.00 1.72 C ATOM 120 OD1 ASP A 27 11.425 10.810 4.375 1.00 2.16 O ATOM 121 OD2 ASP A 27 13.346 9.844 4.431 1.00 2.89 O ATOM 0 H ASP A 27 12.510 8.016 1.951 1.00 0.20 H new ATOM 0 HA ASP A 27 9.956 7.493 2.973 1.00 0.26 H new ATOM 0 HB2 ASP A 27 10.816 8.259 5.054 1.00 0.35 H new ATOM 0 HB3 ASP A 27 12.219 7.661 4.191 1.00 0.35 H new ATOM 126 N LYS A 28 10.316 10.632 2.119 1.00 0.17 N ATOM 127 CA LYS A 28 9.537 11.883 1.913 1.00 0.17 C ATOM 128 C LYS A 28 8.411 11.628 0.909 1.00 0.22 C ATOM 129 O LYS A 28 7.291 12.058 1.100 1.00 0.25 O ATOM 130 CB LYS A 28 10.466 12.976 1.379 1.00 0.22 C ATOM 131 CG LYS A 28 9.807 14.342 1.572 1.00 0.77 C ATOM 132 CD LYS A 28 9.555 14.577 3.061 1.00 2.00 C ATOM 133 CE LYS A 28 9.646 16.073 3.367 1.00 2.43 C ATOM 134 NZ LYS A 28 10.845 16.339 4.211 1.00 3.82 N ATOM 0 H LYS A 28 11.273 10.654 1.768 1.00 0.17 H new ATOM 0 HA LYS A 28 9.105 12.204 2.861 1.00 0.17 H new ATOM 0 HB2 LYS A 28 11.422 12.944 1.902 1.00 0.22 H new ATOM 0 HB3 LYS A 28 10.675 12.807 0.323 1.00 0.22 H new ATOM 0 HG2 LYS A 28 10.448 15.127 1.172 1.00 0.77 H new ATOM 0 HG3 LYS A 28 8.867 14.386 1.021 1.00 0.77 H new ATOM 0 HD2 LYS A 28 8.571 14.198 3.338 1.00 2.00 H new ATOM 0 HD3 LYS A 28 10.286 14.029 3.655 1.00 2.00 H new ATOM 0 HE2 LYS A 28 9.709 16.641 2.439 1.00 2.43 H new ATOM 0 HE3 LYS A 28 8.745 16.404 3.883 1.00 2.43 H new ATOM 0 HZ1 LYS A 28 10.905 17.356 4.418 1.00 3.82 H new ATOM 0 HZ2 LYS A 28 10.767 15.808 5.102 1.00 3.82 H new ATOM 0 HZ3 LYS A 28 11.701 16.038 3.703 1.00 3.82 H new ATOM 148 N GLN A 29 8.694 10.935 -0.160 1.00 0.46 N ATOM 149 CA GLN A 29 7.629 10.662 -1.166 1.00 0.55 C ATOM 150 C GLN A 29 6.555 9.760 -0.543 1.00 0.44 C ATOM 151 O GLN A 29 5.409 9.777 -0.952 1.00 0.34 O ATOM 152 CB GLN A 29 8.247 9.977 -2.392 1.00 0.75 C ATOM 153 CG GLN A 29 8.185 10.924 -3.592 1.00 1.19 C ATOM 154 CD GLN A 29 6.864 10.716 -4.335 1.00 2.08 C ATOM 155 OE1 GLN A 29 6.856 10.337 -5.489 1.00 2.35 O ATOM 156 NE2 GLN A 29 5.739 10.949 -3.716 1.00 3.43 N ATOM 0 H GLN A 29 9.612 10.548 -0.380 1.00 0.46 H new ATOM 0 HA GLN A 29 7.169 11.600 -1.477 1.00 0.55 H new ATOM 0 HB2 GLN A 29 9.281 9.702 -2.185 1.00 0.75 H new ATOM 0 HB3 GLN A 29 7.711 9.055 -2.615 1.00 0.75 H new ATOM 0 HG2 GLN A 29 8.268 11.958 -3.258 1.00 1.19 H new ATOM 0 HG3 GLN A 29 9.025 10.737 -4.261 1.00 1.19 H new ATOM 0 HE21 GLN A 29 5.747 11.267 -2.747 1.00 3.43 H new ATOM 0 HE22 GLN A 29 4.852 10.813 -4.201 1.00 3.43 H new ATOM 165 N ILE A 30 6.899 8.987 0.459 1.00 0.48 N ATOM 166 CA ILE A 30 5.863 8.119 1.094 1.00 0.40 C ATOM 167 C ILE A 30 4.915 9.011 1.890 1.00 0.36 C ATOM 168 O ILE A 30 3.717 8.814 1.891 1.00 0.33 O ATOM 169 CB ILE A 30 6.490 7.094 2.047 1.00 0.45 C ATOM 170 CG1 ILE A 30 7.721 6.422 1.393 1.00 0.74 C ATOM 171 CG2 ILE A 30 5.435 6.052 2.422 1.00 0.32 C ATOM 172 CD1 ILE A 30 7.326 5.162 0.602 1.00 0.81 C ATOM 0 H ILE A 30 7.836 8.921 0.858 1.00 0.48 H new ATOM 0 HA ILE A 30 5.337 7.575 0.309 1.00 0.40 H new ATOM 0 HB ILE A 30 6.833 7.599 2.950 1.00 0.45 H new ATOM 0 HG12 ILE A 30 8.212 7.131 0.727 1.00 0.74 H new ATOM 0 HG13 ILE A 30 8.444 6.156 2.164 1.00 0.74 H new ATOM 0 HG21 ILE A 30 5.872 5.319 3.100 1.00 0.32 H new ATOM 0 HG22 ILE A 30 4.596 6.544 2.913 1.00 0.32 H new ATOM 0 HG23 ILE A 30 5.084 5.549 1.521 1.00 0.32 H new ATOM 0 HD11 ILE A 30 8.216 4.718 0.157 1.00 0.81 H new ATOM 0 HD12 ILE A 30 6.858 4.442 1.274 1.00 0.81 H new ATOM 0 HD13 ILE A 30 6.623 5.433 -0.186 1.00 0.81 H new ATOM 184 N ARG A 31 5.441 10.006 2.558 1.00 0.37 N ATOM 185 CA ARG A 31 4.563 10.922 3.336 1.00 0.35 C ATOM 186 C ARG A 31 3.503 11.493 2.395 1.00 0.35 C ATOM 187 O ARG A 31 2.409 11.837 2.798 1.00 0.34 O ATOM 188 CB ARG A 31 5.401 12.062 3.920 1.00 0.41 C ATOM 189 CG ARG A 31 4.564 12.843 4.931 1.00 0.50 C ATOM 190 CD ARG A 31 4.774 14.345 4.722 1.00 1.07 C ATOM 191 NE ARG A 31 3.504 15.066 5.010 1.00 1.90 N ATOM 192 CZ ARG A 31 3.455 16.365 4.909 1.00 2.64 C ATOM 193 NH1 ARG A 31 4.478 17.087 5.276 1.00 2.46 N ATOM 194 NH2 ARG A 31 2.383 16.943 4.439 1.00 3.78 N ATOM 0 H ARG A 31 6.437 10.221 2.597 1.00 0.37 H new ATOM 0 HA ARG A 31 4.085 10.380 4.152 1.00 0.35 H new ATOM 0 HB2 ARG A 31 6.293 11.662 4.402 1.00 0.41 H new ATOM 0 HB3 ARG A 31 5.739 12.724 3.123 1.00 0.41 H new ATOM 0 HG2 ARG A 31 3.509 12.594 4.815 1.00 0.50 H new ATOM 0 HG3 ARG A 31 4.848 12.564 5.946 1.00 0.50 H new ATOM 0 HD2 ARG A 31 5.567 14.707 5.376 1.00 1.07 H new ATOM 0 HD3 ARG A 31 5.092 14.540 3.698 1.00 1.07 H new ATOM 0 HE ARG A 31 2.672 14.544 5.286 1.00 1.90 H new ATOM 0 HH11 ARG A 31 5.316 16.635 5.642 1.00 2.46 H new ATOM 0 HH12 ARG A 31 4.440 18.103 5.197 1.00 2.46 H new ATOM 0 HH21 ARG A 31 1.584 16.378 4.151 1.00 3.78 H new ATOM 0 HH22 ARG A 31 2.345 17.959 4.360 1.00 3.78 H new ATOM 208 N TYR A 32 3.823 11.573 1.131 1.00 0.35 N ATOM 209 CA TYR A 32 2.848 12.093 0.141 1.00 0.35 C ATOM 210 C TYR A 32 1.824 10.998 -0.133 1.00 0.36 C ATOM 211 O TYR A 32 0.643 11.249 -0.278 1.00 0.37 O ATOM 212 CB TYR A 32 3.590 12.439 -1.150 1.00 0.35 C ATOM 213 CG TYR A 32 2.764 13.398 -1.969 1.00 0.46 C ATOM 214 CD1 TYR A 32 2.710 14.751 -1.619 1.00 0.97 C ATOM 215 CD2 TYR A 32 2.057 12.931 -3.082 1.00 1.86 C ATOM 216 CE1 TYR A 32 1.946 15.640 -2.383 1.00 0.68 C ATOM 217 CE2 TYR A 32 1.293 13.820 -3.847 1.00 2.29 C ATOM 218 CZ TYR A 32 1.237 15.174 -3.497 1.00 1.23 C ATOM 219 OH TYR A 32 0.483 16.051 -4.250 1.00 1.65 O ATOM 0 H TYR A 32 4.725 11.297 0.744 1.00 0.35 H new ATOM 0 HA TYR A 32 2.349 12.986 0.519 1.00 0.35 H new ATOM 0 HB2 TYR A 32 4.557 12.884 -0.917 1.00 0.35 H new ATOM 0 HB3 TYR A 32 3.786 11.532 -1.722 1.00 0.35 H new ATOM 0 HD1 TYR A 32 3.258 15.109 -0.760 1.00 0.97 H new ATOM 0 HD2 TYR A 32 2.101 11.886 -3.351 1.00 1.86 H new ATOM 0 HE1 TYR A 32 1.903 16.685 -2.114 1.00 0.68 H new ATOM 0 HE2 TYR A 32 0.747 13.461 -4.707 1.00 2.29 H new ATOM 0 HH TYR A 32 0.056 15.566 -4.987 1.00 1.65 H new ATOM 229 N ILE A 33 2.277 9.776 -0.197 1.00 0.36 N ATOM 230 CA ILE A 33 1.348 8.645 -0.453 1.00 0.37 C ATOM 231 C ILE A 33 0.234 8.653 0.592 1.00 0.35 C ATOM 232 O ILE A 33 -0.936 8.621 0.270 1.00 0.47 O ATOM 233 CB ILE A 33 2.111 7.324 -0.364 1.00 0.37 C ATOM 234 CG1 ILE A 33 3.272 7.334 -1.360 1.00 0.39 C ATOM 235 CG2 ILE A 33 1.168 6.169 -0.700 1.00 0.40 C ATOM 236 CD1 ILE A 33 4.055 6.028 -1.238 1.00 0.28 C ATOM 0 H ILE A 33 3.256 9.514 -0.082 1.00 0.36 H new ATOM 0 HA ILE A 33 0.918 8.752 -1.449 1.00 0.37 H new ATOM 0 HB ILE A 33 2.500 7.199 0.647 1.00 0.37 H new ATOM 0 HG12 ILE A 33 2.894 7.451 -2.376 1.00 0.39 H new ATOM 0 HG13 ILE A 33 3.927 8.183 -1.164 1.00 0.39 H new ATOM 0 HG21 ILE A 33 1.711 5.226 -0.637 1.00 0.40 H new ATOM 0 HG22 ILE A 33 0.339 6.158 0.008 1.00 0.40 H new ATOM 0 HG23 ILE A 33 0.781 6.298 -1.711 1.00 0.40 H new ATOM 0 HD11 ILE A 33 4.883 6.033 -1.947 1.00 0.28 H new ATOM 0 HD12 ILE A 33 4.445 5.931 -0.225 1.00 0.28 H new ATOM 0 HD13 ILE A 33 3.396 5.187 -1.455 1.00 0.28 H new ATOM 248 N LEU A 34 0.594 8.691 1.844 1.00 0.19 N ATOM 249 CA LEU A 34 -0.429 8.694 2.924 1.00 0.15 C ATOM 250 C LEU A 34 -1.335 9.919 2.788 1.00 0.18 C ATOM 251 O LEU A 34 -2.540 9.820 2.889 1.00 0.17 O ATOM 252 CB LEU A 34 0.275 8.742 4.278 1.00 0.15 C ATOM 253 CG LEU A 34 0.581 7.321 4.748 1.00 0.30 C ATOM 254 CD1 LEU A 34 2.027 6.970 4.394 1.00 0.69 C ATOM 255 CD2 LEU A 34 0.390 7.235 6.265 1.00 0.22 C ATOM 0 H LEU A 34 1.561 8.720 2.167 1.00 0.19 H new ATOM 0 HA LEU A 34 -1.034 7.791 2.846 1.00 0.15 H new ATOM 0 HB2 LEU A 34 1.198 9.316 4.199 1.00 0.15 H new ATOM 0 HB3 LEU A 34 -0.355 9.250 5.009 1.00 0.15 H new ATOM 0 HG LEU A 34 -0.094 6.620 4.257 1.00 0.30 H new ATOM 0 HD11 LEU A 34 2.248 5.956 4.728 1.00 0.69 H new ATOM 0 HD12 LEU A 34 2.163 7.034 3.314 1.00 0.69 H new ATOM 0 HD13 LEU A 34 2.702 7.670 4.887 1.00 0.69 H new ATOM 0 HD21 LEU A 34 0.608 6.222 6.602 1.00 0.22 H new ATOM 0 HD22 LEU A 34 1.066 7.934 6.757 1.00 0.22 H new ATOM 0 HD23 LEU A 34 -0.640 7.488 6.517 1.00 0.22 H new ATOM 267 N ASP A 35 -0.769 11.078 2.563 1.00 0.25 N ATOM 268 CA ASP A 35 -1.615 12.302 2.428 1.00 0.30 C ATOM 269 C ASP A 35 -2.685 12.049 1.369 1.00 0.27 C ATOM 270 O ASP A 35 -3.766 12.604 1.412 1.00 0.26 O ATOM 271 CB ASP A 35 -0.745 13.491 2.010 1.00 0.40 C ATOM 272 CG ASP A 35 -1.322 14.781 2.598 1.00 0.89 C ATOM 273 OD1 ASP A 35 -2.160 15.383 1.945 1.00 1.90 O ATOM 274 OD2 ASP A 35 -0.919 15.146 3.690 1.00 1.30 O ATOM 0 H ASP A 35 0.235 11.229 2.468 1.00 0.25 H new ATOM 0 HA ASP A 35 -2.088 12.529 3.384 1.00 0.30 H new ATOM 0 HB2 ASP A 35 0.278 13.346 2.358 1.00 0.40 H new ATOM 0 HB3 ASP A 35 -0.705 13.561 0.923 1.00 0.40 H new ATOM 279 N GLY A 36 -2.393 11.200 0.427 1.00 0.24 N ATOM 280 CA GLY A 36 -3.390 10.886 -0.630 1.00 0.23 C ATOM 281 C GLY A 36 -4.429 9.918 -0.061 1.00 0.18 C ATOM 282 O GLY A 36 -5.613 10.041 -0.303 1.00 0.24 O ATOM 0 H GLY A 36 -1.503 10.708 0.343 1.00 0.24 H new ATOM 0 HA2 GLY A 36 -3.875 11.800 -0.974 1.00 0.23 H new ATOM 0 HA3 GLY A 36 -2.896 10.443 -1.494 1.00 0.23 H new ATOM 286 N ILE A 37 -3.980 8.953 0.692 1.00 0.17 N ATOM 287 CA ILE A 37 -4.906 7.943 1.285 1.00 0.15 C ATOM 288 C ILE A 37 -5.912 8.606 2.227 1.00 0.19 C ATOM 289 O ILE A 37 -7.012 8.121 2.401 1.00 0.29 O ATOM 290 CB ILE A 37 -4.087 6.919 2.067 1.00 0.19 C ATOM 291 CG1 ILE A 37 -3.037 6.305 1.139 1.00 0.28 C ATOM 292 CG2 ILE A 37 -5.012 5.821 2.601 1.00 0.31 C ATOM 293 CD1 ILE A 37 -3.735 5.611 -0.025 1.00 0.40 C ATOM 0 H ILE A 37 -2.996 8.818 0.926 1.00 0.17 H new ATOM 0 HA ILE A 37 -5.456 7.458 0.479 1.00 0.15 H new ATOM 0 HB ILE A 37 -3.592 7.407 2.907 1.00 0.19 H new ATOM 0 HG12 ILE A 37 -2.367 7.080 0.766 1.00 0.28 H new ATOM 0 HG13 ILE A 37 -2.424 5.591 1.688 1.00 0.28 H new ATOM 0 HG21 ILE A 37 -4.426 5.091 3.159 1.00 0.31 H new ATOM 0 HG22 ILE A 37 -5.761 6.264 3.258 1.00 0.31 H new ATOM 0 HG23 ILE A 37 -5.509 5.326 1.767 1.00 0.31 H new ATOM 0 HD11 ILE A 37 -2.989 5.173 -0.688 1.00 0.40 H new ATOM 0 HD12 ILE A 37 -4.387 4.825 0.358 1.00 0.40 H new ATOM 0 HD13 ILE A 37 -4.329 6.338 -0.578 1.00 0.40 H new ATOM 305 N SER A 38 -5.565 9.711 2.828 1.00 0.28 N ATOM 306 CA SER A 38 -6.535 10.376 3.733 1.00 0.41 C ATOM 307 C SER A 38 -7.712 10.806 2.880 1.00 0.36 C ATOM 308 O SER A 38 -8.853 10.769 3.294 1.00 0.32 O ATOM 309 CB SER A 38 -5.890 11.601 4.384 1.00 0.55 C ATOM 310 OG SER A 38 -6.872 12.301 5.136 1.00 1.35 O ATOM 0 H SER A 38 -4.662 10.175 2.731 1.00 0.28 H new ATOM 0 HA SER A 38 -6.853 9.700 4.527 1.00 0.41 H new ATOM 0 HB2 SER A 38 -5.069 11.294 5.032 1.00 0.55 H new ATOM 0 HB3 SER A 38 -5.466 12.253 3.620 1.00 0.55 H new ATOM 0 HG SER A 38 -6.464 13.086 5.557 1.00 1.35 H new ATOM 316 N ALA A 39 -7.434 11.186 1.669 1.00 0.38 N ATOM 317 CA ALA A 39 -8.521 11.596 0.760 1.00 0.33 C ATOM 318 C ALA A 39 -9.198 10.341 0.207 1.00 0.37 C ATOM 319 O ALA A 39 -10.332 10.379 -0.229 1.00 0.46 O ATOM 320 CB ALA A 39 -7.945 12.421 -0.393 1.00 0.34 C ATOM 0 H ALA A 39 -6.495 11.229 1.272 1.00 0.38 H new ATOM 0 HA ALA A 39 -9.248 12.202 1.301 1.00 0.33 H new ATOM 0 HB1 ALA A 39 -8.750 12.722 -1.063 1.00 0.34 H new ATOM 0 HB2 ALA A 39 -7.453 13.308 0.005 1.00 0.34 H new ATOM 0 HB3 ALA A 39 -7.221 11.821 -0.944 1.00 0.34 H new ATOM 326 N LEU A 40 -8.510 9.225 0.221 1.00 0.33 N ATOM 327 CA LEU A 40 -9.125 7.977 -0.308 1.00 0.38 C ATOM 328 C LEU A 40 -9.914 7.262 0.791 1.00 0.46 C ATOM 329 O LEU A 40 -10.648 6.333 0.523 1.00 0.60 O ATOM 330 CB LEU A 40 -8.040 7.030 -0.838 1.00 0.48 C ATOM 331 CG LEU A 40 -7.153 7.732 -1.877 1.00 0.50 C ATOM 332 CD1 LEU A 40 -6.356 6.677 -2.644 1.00 0.99 C ATOM 333 CD2 LEU A 40 -8.010 8.530 -2.869 1.00 0.46 C ATOM 0 H LEU A 40 -7.558 9.128 0.573 1.00 0.33 H new ATOM 0 HA LEU A 40 -9.799 8.251 -1.120 1.00 0.38 H new ATOM 0 HB2 LEU A 40 -7.425 6.676 -0.010 1.00 0.48 H new ATOM 0 HB3 LEU A 40 -8.506 6.153 -1.286 1.00 0.48 H new ATOM 0 HG LEU A 40 -6.481 8.418 -1.361 1.00 0.50 H new ATOM 0 HD11 LEU A 40 -5.723 7.166 -3.384 1.00 0.99 H new ATOM 0 HD12 LEU A 40 -5.733 6.115 -1.948 1.00 0.99 H new ATOM 0 HD13 LEU A 40 -7.043 5.996 -3.147 1.00 0.99 H new ATOM 0 HD21 LEU A 40 -7.363 9.020 -3.597 1.00 0.46 H new ATOM 0 HD22 LEU A 40 -8.692 7.855 -3.386 1.00 0.46 H new ATOM 0 HD23 LEU A 40 -8.585 9.283 -2.330 1.00 0.46 H new ATOM 345 N ARG A 41 -9.772 7.672 2.020 1.00 0.41 N ATOM 346 CA ARG A 41 -10.522 6.991 3.109 1.00 0.49 C ATOM 347 C ARG A 41 -11.311 8.012 3.933 1.00 0.36 C ATOM 348 O ARG A 41 -11.942 7.670 4.913 1.00 0.38 O ATOM 349 CB ARG A 41 -9.547 6.257 4.024 1.00 0.63 C ATOM 350 CG ARG A 41 -10.327 5.275 4.895 1.00 0.75 C ATOM 351 CD ARG A 41 -9.352 4.443 5.730 1.00 0.88 C ATOM 352 NE ARG A 41 -8.817 5.278 6.843 1.00 0.30 N ATOM 353 CZ ARG A 41 -9.315 5.157 8.043 1.00 0.70 C ATOM 354 NH1 ARG A 41 -10.564 4.814 8.200 1.00 1.94 N ATOM 355 NH2 ARG A 41 -8.563 5.379 9.088 1.00 0.44 N ATOM 0 H ARG A 41 -9.174 8.443 2.315 1.00 0.41 H new ATOM 0 HA ARG A 41 -11.216 6.280 2.661 1.00 0.49 H new ATOM 0 HB2 ARG A 41 -8.802 5.726 3.432 1.00 0.63 H new ATOM 0 HB3 ARG A 41 -9.008 6.969 4.649 1.00 0.63 H new ATOM 0 HG2 ARG A 41 -11.011 5.817 5.549 1.00 0.75 H new ATOM 0 HG3 ARG A 41 -10.935 4.622 4.269 1.00 0.75 H new ATOM 0 HD2 ARG A 41 -9.857 3.564 6.130 1.00 0.88 H new ATOM 0 HD3 ARG A 41 -8.535 4.084 5.105 1.00 0.88 H new ATOM 0 HE ARG A 41 -8.063 5.942 6.667 1.00 0.30 H new ATOM 0 HH11 ARG A 41 -11.152 4.640 7.385 1.00 1.94 H new ATOM 0 HH12 ARG A 41 -10.953 4.720 9.138 1.00 1.94 H new ATOM 0 HH21 ARG A 41 -7.586 5.647 8.966 1.00 0.44 H new ATOM 0 HH22 ARG A 41 -8.952 5.284 10.026 1.00 0.44 H new ATOM 369 N LYS A 42 -11.290 9.258 3.553 1.00 0.24 N ATOM 370 CA LYS A 42 -12.047 10.272 4.326 1.00 0.18 C ATOM 371 C LYS A 42 -13.491 10.268 3.850 1.00 0.35 C ATOM 372 O LYS A 42 -14.413 10.236 4.634 1.00 0.37 O ATOM 373 CB LYS A 42 -11.427 11.652 4.095 1.00 0.16 C ATOM 374 CG LYS A 42 -12.248 12.716 4.828 1.00 0.39 C ATOM 375 CD LYS A 42 -11.313 13.806 5.360 1.00 0.72 C ATOM 376 CE LYS A 42 -10.618 13.307 6.630 1.00 1.73 C ATOM 377 NZ LYS A 42 -9.153 13.159 6.383 1.00 3.07 N ATOM 0 H LYS A 42 -10.783 9.614 2.743 1.00 0.24 H new ATOM 0 HA LYS A 42 -12.010 10.039 5.390 1.00 0.18 H new ATOM 0 HB2 LYS A 42 -10.397 11.663 4.453 1.00 0.16 H new ATOM 0 HB3 LYS A 42 -11.396 11.874 3.028 1.00 0.16 H new ATOM 0 HG2 LYS A 42 -12.984 13.152 4.153 1.00 0.39 H new ATOM 0 HG3 LYS A 42 -12.800 12.262 5.651 1.00 0.39 H new ATOM 0 HD2 LYS A 42 -10.571 14.064 4.604 1.00 0.72 H new ATOM 0 HD3 LYS A 42 -11.879 14.713 5.574 1.00 0.72 H new ATOM 0 HE2 LYS A 42 -10.789 14.007 7.448 1.00 1.73 H new ATOM 0 HE3 LYS A 42 -11.043 12.351 6.936 1.00 1.73 H new ATOM 0 HZ1 LYS A 42 -8.737 12.548 7.115 1.00 3.07 H new ATOM 0 HZ2 LYS A 42 -9.000 12.731 5.448 1.00 3.07 H new ATOM 0 HZ3 LYS A 42 -8.699 14.094 6.414 1.00 3.07 H new ATOM 391 N GLU A 43 -13.696 10.286 2.570 1.00 0.51 N ATOM 392 CA GLU A 43 -15.081 10.273 2.057 1.00 0.70 C ATOM 393 C GLU A 43 -15.569 8.832 2.011 1.00 0.73 C ATOM 394 O GLU A 43 -16.613 8.494 2.549 1.00 0.75 O ATOM 395 CB GLU A 43 -15.104 10.868 0.648 1.00 0.87 C ATOM 396 CG GLU A 43 -16.385 11.686 0.458 1.00 1.08 C ATOM 397 CD GLU A 43 -16.194 13.083 1.054 1.00 2.78 C ATOM 398 OE1 GLU A 43 -15.279 13.250 1.844 1.00 3.74 O ATOM 399 OE2 GLU A 43 -16.967 13.961 0.710 1.00 3.31 O ATOM 0 H GLU A 43 -12.965 10.309 1.859 1.00 0.51 H new ATOM 0 HA GLU A 43 -15.728 10.863 2.706 1.00 0.70 H new ATOM 0 HB2 GLU A 43 -14.230 11.501 0.495 1.00 0.87 H new ATOM 0 HB3 GLU A 43 -15.055 10.072 -0.095 1.00 0.87 H new ATOM 0 HG2 GLU A 43 -16.627 11.762 -0.602 1.00 1.08 H new ATOM 0 HG3 GLU A 43 -17.224 11.185 0.941 1.00 1.08 H new ATOM 406 N THR A 44 -14.813 7.985 1.360 1.00 0.81 N ATOM 407 CA THR A 44 -15.209 6.561 1.237 1.00 0.92 C ATOM 408 C THR A 44 -14.757 5.751 2.466 1.00 0.70 C ATOM 409 O THR A 44 -14.104 4.746 2.349 1.00 0.75 O ATOM 410 CB THR A 44 -14.625 5.993 -0.082 1.00 1.28 C ATOM 411 OG1 THR A 44 -15.398 4.882 -0.504 1.00 1.86 O ATOM 412 CG2 THR A 44 -13.163 5.556 0.085 1.00 0.98 C ATOM 0 H THR A 44 -13.932 8.227 0.907 1.00 0.81 H new ATOM 0 HA THR A 44 -16.296 6.483 1.202 1.00 0.92 H new ATOM 0 HB THR A 44 -14.659 6.786 -0.829 1.00 1.28 H new ATOM 0 HG1 THR A 44 -15.029 4.525 -1.339 1.00 1.86 H new ATOM 0 HG21 THR A 44 -12.790 5.164 -0.861 1.00 0.98 H new ATOM 0 HG22 THR A 44 -12.559 6.412 0.386 1.00 0.98 H new ATOM 0 HG23 THR A 44 -13.100 4.781 0.849 1.00 0.98 H new ATOM 420 N CYS A 45 -15.154 6.160 3.639 1.00 0.58 N ATOM 421 CA CYS A 45 -14.799 5.402 4.872 1.00 0.48 C ATOM 422 C CYS A 45 -15.273 6.214 6.071 1.00 0.20 C ATOM 423 O CYS A 45 -15.796 5.665 7.021 1.00 0.31 O ATOM 424 CB CYS A 45 -13.295 5.111 4.930 1.00 0.92 C ATOM 425 SG CYS A 45 -13.040 3.312 5.109 1.00 1.95 S ATOM 0 H CYS A 45 -15.716 6.997 3.798 1.00 0.58 H new ATOM 0 HA CYS A 45 -15.292 4.430 4.875 1.00 0.48 H new ATOM 0 HB2 CYS A 45 -12.807 5.471 4.024 1.00 0.92 H new ATOM 0 HB3 CYS A 45 -12.842 5.640 5.768 1.00 0.92 H new ATOM 0 HG CYS A 45 -13.521 2.700 4.068 1.00 1.95 H new ATOM 430 N ASN A 46 -15.182 7.519 6.011 1.00 0.39 N ATOM 431 CA ASN A 46 -15.734 8.315 7.134 1.00 0.85 C ATOM 432 C ASN A 46 -17.247 8.238 6.965 1.00 1.00 C ATOM 433 O ASN A 46 -17.987 8.049 7.911 1.00 1.25 O ATOM 434 CB ASN A 46 -15.262 9.768 7.067 1.00 1.06 C ATOM 435 CG ASN A 46 -15.406 10.416 8.445 1.00 1.23 C ATOM 436 OD1 ASN A 46 -14.620 10.158 9.334 1.00 2.21 O ATOM 437 ND2 ASN A 46 -16.384 11.251 8.663 1.00 0.86 N ATOM 0 H ASN A 46 -14.759 8.052 5.251 1.00 0.39 H new ATOM 0 HA ASN A 46 -15.404 7.931 8.099 1.00 0.85 H new ATOM 0 HB2 ASN A 46 -14.223 9.809 6.741 1.00 1.06 H new ATOM 0 HB3 ASN A 46 -15.849 10.318 6.332 1.00 1.06 H new ATOM 0 HD21 ASN A 46 -16.488 11.687 9.579 1.00 0.86 H new ATOM 0 HD22 ASN A 46 -17.045 11.468 7.917 1.00 0.86 H new ATOM 444 N LYS A 47 -17.706 8.321 5.735 1.00 0.89 N ATOM 445 CA LYS A 47 -19.163 8.182 5.467 1.00 1.13 C ATOM 446 C LYS A 47 -19.464 6.715 5.170 1.00 1.22 C ATOM 447 O LYS A 47 -20.506 6.379 4.642 1.00 1.35 O ATOM 448 CB LYS A 47 -19.557 9.051 4.271 1.00 1.08 C ATOM 449 CG LYS A 47 -20.074 10.403 4.768 1.00 1.64 C ATOM 450 CD LYS A 47 -21.484 10.646 4.224 1.00 1.38 C ATOM 451 CE LYS A 47 -21.427 10.796 2.702 1.00 0.63 C ATOM 452 NZ LYS A 47 -22.778 10.541 2.125 1.00 0.98 N ATOM 0 H LYS A 47 -17.128 8.479 4.910 1.00 0.89 H new ATOM 0 HA LYS A 47 -19.735 8.509 6.335 1.00 1.13 H new ATOM 0 HB2 LYS A 47 -18.698 9.197 3.616 1.00 1.08 H new ATOM 0 HB3 LYS A 47 -20.326 8.550 3.682 1.00 1.08 H new ATOM 0 HG2 LYS A 47 -20.086 10.421 5.858 1.00 1.64 H new ATOM 0 HG3 LYS A 47 -19.406 11.201 4.444 1.00 1.64 H new ATOM 0 HD2 LYS A 47 -22.137 9.816 4.494 1.00 1.38 H new ATOM 0 HD3 LYS A 47 -21.908 11.544 4.673 1.00 1.38 H new ATOM 0 HE2 LYS A 47 -21.090 11.798 2.437 1.00 0.63 H new ATOM 0 HE3 LYS A 47 -20.704 10.096 2.284 1.00 0.63 H new ATOM 0 HZ1 LYS A 47 -22.739 10.643 1.091 1.00 0.98 H new ATOM 0 HZ2 LYS A 47 -23.082 9.576 2.366 1.00 0.98 H new ATOM 0 HZ3 LYS A 47 -23.457 11.226 2.515 1.00 0.98 H new ATOM 466 N SER A 48 -18.556 5.835 5.504 1.00 1.21 N ATOM 467 CA SER A 48 -18.781 4.397 5.244 1.00 1.38 C ATOM 468 C SER A 48 -17.966 3.577 6.247 1.00 1.81 C ATOM 469 O SER A 48 -16.814 3.277 6.016 1.00 2.45 O ATOM 470 CB SER A 48 -18.344 4.073 3.822 1.00 1.13 C ATOM 471 OG SER A 48 -17.050 4.593 3.604 1.00 1.26 O ATOM 0 H SER A 48 -17.666 6.060 5.948 1.00 1.21 H new ATOM 0 HA SER A 48 -19.838 4.153 5.356 1.00 1.38 H new ATOM 0 HB2 SER A 48 -18.347 2.994 3.665 1.00 1.13 H new ATOM 0 HB3 SER A 48 -19.046 4.501 3.107 1.00 1.13 H new ATOM 0 HG SER A 48 -16.468 3.886 3.255 1.00 1.26 H new ATOM 477 N ASN A 49 -18.565 3.238 7.368 1.00 2.10 N ATOM 478 CA ASN A 49 -17.860 2.449 8.444 1.00 3.06 C ATOM 479 C ASN A 49 -16.854 1.452 7.854 1.00 2.76 C ATOM 480 O ASN A 49 -15.813 1.197 8.429 1.00 3.97 O ATOM 481 CB ASN A 49 -18.895 1.688 9.277 1.00 4.09 C ATOM 482 CG ASN A 49 -18.782 2.105 10.746 1.00 5.54 C ATOM 483 OD1 ASN A 49 -18.226 3.140 11.057 1.00 6.02 O ATOM 484 ND2 ASN A 49 -19.289 1.337 11.669 1.00 6.42 N ATOM 0 H ASN A 49 -19.531 3.478 7.590 1.00 2.10 H new ATOM 0 HA ASN A 49 -17.310 3.153 9.068 1.00 3.06 H new ATOM 0 HB2 ASN A 49 -19.899 1.896 8.906 1.00 4.09 H new ATOM 0 HB3 ASN A 49 -18.735 0.614 9.180 1.00 4.09 H new ATOM 0 HD21 ASN A 49 -19.219 1.605 12.651 1.00 6.42 H new ATOM 0 HD22 ASN A 49 -19.756 0.468 11.410 1.00 6.42 H new ATOM 491 N MET A 50 -17.134 0.911 6.704 1.00 1.37 N ATOM 492 CA MET A 50 -16.169 -0.034 6.081 1.00 1.50 C ATOM 493 C MET A 50 -15.338 0.751 5.076 1.00 2.17 C ATOM 494 O MET A 50 -14.126 0.704 5.087 1.00 2.34 O ATOM 495 CB MET A 50 -16.920 -1.152 5.350 1.00 0.60 C ATOM 496 CG MET A 50 -16.205 -2.483 5.583 1.00 1.94 C ATOM 497 SD MET A 50 -17.422 -3.823 5.590 1.00 1.75 S ATOM 498 CE MET A 50 -17.440 -4.125 3.808 1.00 1.39 C ATOM 0 H MET A 50 -17.986 1.081 6.170 1.00 1.37 H new ATOM 0 HA MET A 50 -15.537 -0.483 6.847 1.00 1.50 H new ATOM 0 HB2 MET A 50 -17.947 -1.211 5.710 1.00 0.60 H new ATOM 0 HB3 MET A 50 -16.968 -0.935 4.283 1.00 0.60 H new ATOM 0 HG2 MET A 50 -15.465 -2.653 4.801 1.00 1.94 H new ATOM 0 HG3 MET A 50 -15.668 -2.459 6.531 1.00 1.94 H new ATOM 0 HE1 MET A 50 -18.438 -3.929 3.416 1.00 1.39 H new ATOM 0 HE2 MET A 50 -16.722 -3.465 3.320 1.00 1.39 H new ATOM 0 HE3 MET A 50 -17.170 -5.163 3.612 1.00 1.39 H new ATOM 660 N ASN A 62 -11.239 -10.108 4.622 1.00 1.88 N ATOM 661 CA ASN A 62 -9.760 -10.322 4.637 1.00 1.84 C ATOM 662 C ASN A 62 -9.250 -10.472 3.204 1.00 1.69 C ATOM 663 O ASN A 62 -9.510 -11.453 2.537 1.00 2.36 O ATOM 664 CB ASN A 62 -9.406 -11.582 5.438 1.00 2.39 C ATOM 665 CG ASN A 62 -10.214 -11.611 6.738 1.00 2.96 C ATOM 666 OD1 ASN A 62 -11.202 -12.311 6.838 1.00 4.19 O ATOM 667 ND2 ASN A 62 -9.829 -10.878 7.746 1.00 2.13 N ATOM 0 HA ASN A 62 -9.288 -9.461 5.109 1.00 1.84 H new ATOM 0 HB2 ASN A 62 -9.619 -12.472 4.846 1.00 2.39 H new ATOM 0 HB3 ASN A 62 -8.339 -11.595 5.661 1.00 2.39 H new ATOM 0 HD21 ASN A 62 -10.357 -10.892 8.618 1.00 2.13 H new ATOM 0 HD22 ASN A 62 -9.000 -10.290 7.662 1.00 2.13 H new ATOM 674 N LEU A 63 -8.520 -9.502 2.731 1.00 0.87 N ATOM 675 CA LEU A 63 -7.981 -9.574 1.345 1.00 0.75 C ATOM 676 C LEU A 63 -6.808 -10.556 1.313 1.00 0.94 C ATOM 677 O LEU A 63 -6.589 -11.300 2.248 1.00 1.06 O ATOM 678 CB LEU A 63 -7.501 -8.186 0.924 1.00 0.37 C ATOM 679 CG LEU A 63 -8.524 -7.555 -0.020 1.00 0.72 C ATOM 680 CD1 LEU A 63 -8.145 -6.096 -0.276 1.00 0.52 C ATOM 681 CD2 LEU A 63 -8.535 -8.318 -1.348 1.00 1.10 C ATOM 0 H LEU A 63 -8.272 -8.658 3.247 1.00 0.87 H new ATOM 0 HA LEU A 63 -8.757 -9.914 0.660 1.00 0.75 H new ATOM 0 HB2 LEU A 63 -7.364 -7.555 1.802 1.00 0.37 H new ATOM 0 HB3 LEU A 63 -6.532 -8.259 0.430 1.00 0.37 H new ATOM 0 HG LEU A 63 -9.514 -7.602 0.433 1.00 0.72 H new ATOM 0 HD11 LEU A 63 -8.873 -5.644 -0.949 1.00 0.52 H new ATOM 0 HD12 LEU A 63 -8.136 -5.551 0.668 1.00 0.52 H new ATOM 0 HD13 LEU A 63 -7.155 -6.051 -0.730 1.00 0.52 H new ATOM 0 HD21 LEU A 63 -9.265 -7.867 -2.021 1.00 1.10 H new ATOM 0 HD22 LEU A 63 -7.545 -8.271 -1.803 1.00 1.10 H new ATOM 0 HD23 LEU A 63 -8.803 -9.359 -1.167 1.00 1.10 H new ATOM 693 N ASN A 64 -6.051 -10.571 0.248 1.00 0.97 N ATOM 694 CA ASN A 64 -4.900 -11.515 0.179 1.00 1.15 C ATOM 695 C ASN A 64 -3.642 -10.779 -0.284 1.00 1.18 C ATOM 696 O ASN A 64 -2.972 -11.197 -1.207 1.00 1.44 O ATOM 697 CB ASN A 64 -5.224 -12.640 -0.805 1.00 1.26 C ATOM 698 CG ASN A 64 -5.636 -12.041 -2.151 1.00 2.41 C ATOM 699 OD1 ASN A 64 -5.218 -10.955 -2.500 1.00 3.55 O ATOM 700 ND2 ASN A 64 -6.445 -12.710 -2.927 1.00 2.61 N ATOM 0 H ASN A 64 -6.179 -9.975 -0.570 1.00 0.97 H new ATOM 0 HA ASN A 64 -4.722 -11.933 1.170 1.00 1.15 H new ATOM 0 HB2 ASN A 64 -4.355 -13.286 -0.933 1.00 1.26 H new ATOM 0 HB3 ASN A 64 -6.028 -13.262 -0.411 1.00 1.26 H new ATOM 0 HD21 ASN A 64 -6.726 -12.321 -3.827 1.00 2.61 H new ATOM 0 HD22 ASN A 64 -6.796 -13.622 -2.633 1.00 2.61 H new ATOM 707 N LEU A 65 -3.305 -9.695 0.358 1.00 0.96 N ATOM 708 CA LEU A 65 -2.080 -8.951 -0.042 1.00 1.01 C ATOM 709 C LEU A 65 -1.043 -9.058 1.084 1.00 1.18 C ATOM 710 O LEU A 65 -1.405 -9.257 2.226 1.00 1.65 O ATOM 711 CB LEU A 65 -2.424 -7.484 -0.302 1.00 0.85 C ATOM 712 CG LEU A 65 -2.957 -6.833 0.974 1.00 0.86 C ATOM 713 CD1 LEU A 65 -2.434 -5.399 1.054 1.00 0.74 C ATOM 714 CD2 LEU A 65 -4.485 -6.810 0.935 1.00 0.84 C ATOM 0 H LEU A 65 -3.823 -9.294 1.140 1.00 0.96 H new ATOM 0 HA LEU A 65 -1.671 -9.379 -0.957 1.00 1.01 H new ATOM 0 HB2 LEU A 65 -1.538 -6.951 -0.648 1.00 0.85 H new ATOM 0 HB3 LEU A 65 -3.169 -7.412 -1.094 1.00 0.85 H new ATOM 0 HG LEU A 65 -2.625 -7.400 1.843 1.00 0.86 H new ATOM 0 HD11 LEU A 65 -2.809 -4.925 1.961 1.00 0.74 H new ATOM 0 HD12 LEU A 65 -1.344 -5.410 1.074 1.00 0.74 H new ATOM 0 HD13 LEU A 65 -2.776 -4.838 0.184 1.00 0.74 H new ATOM 0 HD21 LEU A 65 -4.865 -6.346 1.845 1.00 0.84 H new ATOM 0 HD22 LEU A 65 -4.818 -6.238 0.069 1.00 0.84 H new ATOM 0 HD23 LEU A 65 -4.863 -7.830 0.863 1.00 0.84 H new ATOM 726 N PRO A 66 0.220 -8.937 0.737 1.00 2.02 N ATOM 727 CA PRO A 66 1.313 -9.033 1.721 1.00 2.18 C ATOM 728 C PRO A 66 1.434 -7.737 2.527 1.00 1.37 C ATOM 729 O PRO A 66 1.326 -6.649 1.997 1.00 2.30 O ATOM 730 CB PRO A 66 2.557 -9.264 0.859 1.00 3.89 C ATOM 731 CG PRO A 66 2.217 -8.733 -0.553 1.00 4.60 C ATOM 732 CD PRO A 66 0.681 -8.691 -0.650 1.00 3.41 C ATOM 0 HA PRO A 66 1.157 -9.825 2.454 1.00 2.18 H new ATOM 0 HB2 PRO A 66 3.419 -8.741 1.273 1.00 3.89 H new ATOM 0 HB3 PRO A 66 2.814 -10.323 0.824 1.00 3.89 H new ATOM 0 HG2 PRO A 66 2.642 -7.741 -0.706 1.00 4.60 H new ATOM 0 HG3 PRO A 66 2.636 -9.382 -1.322 1.00 4.60 H new ATOM 0 HD2 PRO A 66 0.332 -7.727 -1.020 1.00 3.41 H new ATOM 0 HD3 PRO A 66 0.305 -9.451 -1.335 1.00 3.41 H new ATOM 740 N LYS A 67 1.658 -7.850 3.806 1.00 0.66 N ATOM 741 CA LYS A 67 1.788 -6.631 4.652 1.00 1.77 C ATOM 742 C LYS A 67 2.823 -6.884 5.750 1.00 1.24 C ATOM 743 O LYS A 67 3.499 -7.895 5.757 1.00 1.16 O ATOM 744 CB LYS A 67 0.434 -6.305 5.287 1.00 3.04 C ATOM 745 CG LYS A 67 -0.184 -7.578 5.867 1.00 3.64 C ATOM 746 CD LYS A 67 -1.021 -7.224 7.099 1.00 5.40 C ATOM 747 CE LYS A 67 -2.399 -7.878 6.987 1.00 6.23 C ATOM 748 NZ LYS A 67 -3.323 -7.265 7.984 1.00 7.76 N ATOM 0 H LYS A 67 1.757 -8.735 4.303 1.00 0.66 H new ATOM 0 HA LYS A 67 2.110 -5.791 4.037 1.00 1.77 H new ATOM 0 HB2 LYS A 67 0.560 -5.560 6.073 1.00 3.04 H new ATOM 0 HB3 LYS A 67 -0.233 -5.872 4.542 1.00 3.04 H new ATOM 0 HG2 LYS A 67 -0.808 -8.066 5.118 1.00 3.64 H new ATOM 0 HG3 LYS A 67 0.600 -8.285 6.138 1.00 3.64 H new ATOM 0 HD2 LYS A 67 -0.518 -7.565 8.004 1.00 5.40 H new ATOM 0 HD3 LYS A 67 -1.126 -6.142 7.181 1.00 5.40 H new ATOM 0 HE2 LYS A 67 -2.795 -7.747 5.980 1.00 6.23 H new ATOM 0 HE3 LYS A 67 -2.319 -8.951 7.161 1.00 6.23 H new ATOM 0 HZ1 LYS A 67 -4.260 -7.710 7.908 1.00 7.76 H new ATOM 0 HZ2 LYS A 67 -2.947 -7.412 8.942 1.00 7.76 H new ATOM 0 HZ3 LYS A 67 -3.408 -6.245 7.798 1.00 7.76 H new ATOM 762 N MET A 68 2.954 -5.976 6.676 1.00 1.62 N ATOM 763 CA MET A 68 3.947 -6.167 7.771 1.00 1.10 C ATOM 764 C MET A 68 3.287 -6.920 8.931 1.00 1.19 C ATOM 765 O MET A 68 2.177 -7.401 8.821 1.00 1.21 O ATOM 766 CB MET A 68 4.433 -4.799 8.262 1.00 1.05 C ATOM 767 CG MET A 68 5.461 -4.233 7.277 1.00 0.76 C ATOM 768 SD MET A 68 4.984 -2.551 6.799 1.00 1.68 S ATOM 769 CE MET A 68 6.610 -1.999 6.226 1.00 1.15 C ATOM 0 H MET A 68 2.417 -5.110 6.723 1.00 1.62 H new ATOM 0 HA MET A 68 4.795 -6.742 7.399 1.00 1.10 H new ATOM 0 HB2 MET A 68 3.590 -4.115 8.356 1.00 1.05 H new ATOM 0 HB3 MET A 68 4.878 -4.894 9.252 1.00 1.05 H new ATOM 0 HG2 MET A 68 6.451 -4.225 7.733 1.00 0.76 H new ATOM 0 HG3 MET A 68 5.522 -4.869 6.394 1.00 0.76 H new ATOM 0 HE1 MET A 68 6.487 -1.182 5.515 1.00 1.15 H new ATOM 0 HE2 MET A 68 7.198 -1.654 7.077 1.00 1.15 H new ATOM 0 HE3 MET A 68 7.125 -2.828 5.741 1.00 1.15 H new ATOM 779 N ALA A 69 3.964 -7.024 10.042 1.00 1.40 N ATOM 780 CA ALA A 69 3.382 -7.741 11.211 1.00 1.62 C ATOM 781 C ALA A 69 4.250 -7.477 12.445 1.00 1.94 C ATOM 782 O ALA A 69 3.914 -6.673 13.291 1.00 3.23 O ATOM 783 CB ALA A 69 3.347 -9.243 10.925 1.00 1.32 C ATOM 0 H ALA A 69 4.898 -6.642 10.190 1.00 1.40 H new ATOM 0 HA ALA A 69 2.368 -7.385 11.391 1.00 1.62 H new ATOM 0 HB1 ALA A 69 2.921 -9.767 11.781 1.00 1.32 H new ATOM 0 HB2 ALA A 69 2.735 -9.431 10.043 1.00 1.32 H new ATOM 0 HB3 ALA A 69 4.360 -9.603 10.747 1.00 1.32 H new ATOM 789 N GLU A 70 5.367 -8.143 12.549 1.00 1.01 N ATOM 790 CA GLU A 70 6.261 -7.928 13.724 1.00 1.18 C ATOM 791 C GLU A 70 7.514 -8.795 13.583 1.00 1.07 C ATOM 792 O GLU A 70 8.625 -8.305 13.620 1.00 1.14 O ATOM 793 CB GLU A 70 5.534 -8.283 15.033 1.00 1.46 C ATOM 794 CG GLU A 70 4.528 -9.422 14.813 1.00 2.10 C ATOM 795 CD GLU A 70 3.105 -8.871 14.915 1.00 3.26 C ATOM 796 OE1 GLU A 70 2.738 -8.429 15.991 1.00 3.48 O ATOM 797 OE2 GLU A 70 2.408 -8.898 13.914 1.00 4.24 O ATOM 0 H GLU A 70 5.700 -8.828 11.871 1.00 1.01 H new ATOM 0 HA GLU A 70 6.544 -6.876 13.756 1.00 1.18 H new ATOM 0 HB2 GLU A 70 6.262 -8.577 15.789 1.00 1.46 H new ATOM 0 HB3 GLU A 70 5.015 -7.404 15.415 1.00 1.46 H new ATOM 0 HG2 GLU A 70 4.684 -9.876 13.834 1.00 2.10 H new ATOM 0 HG3 GLU A 70 4.681 -10.205 15.556 1.00 2.10 H new ATOM 804 N LYS A 71 7.346 -10.078 13.420 1.00 1.09 N ATOM 805 CA LYS A 71 8.527 -10.974 13.273 1.00 1.21 C ATOM 806 C LYS A 71 9.240 -10.668 11.956 1.00 1.06 C ATOM 807 O LYS A 71 10.407 -10.957 11.786 1.00 1.06 O ATOM 808 CB LYS A 71 8.055 -12.425 13.258 1.00 1.44 C ATOM 809 CG LYS A 71 8.327 -13.061 14.620 1.00 2.71 C ATOM 810 CD LYS A 71 8.319 -14.587 14.488 1.00 2.69 C ATOM 811 CE LYS A 71 6.979 -15.047 13.907 1.00 2.34 C ATOM 812 NZ LYS A 71 5.893 -14.788 14.894 1.00 3.64 N ATOM 0 H LYS A 71 6.440 -10.545 13.382 1.00 1.09 H new ATOM 0 HA LYS A 71 9.212 -10.813 14.106 1.00 1.21 H new ATOM 0 HB2 LYS A 71 6.990 -12.470 13.029 1.00 1.44 H new ATOM 0 HB3 LYS A 71 8.573 -12.979 12.475 1.00 1.44 H new ATOM 0 HG2 LYS A 71 9.290 -12.725 15.003 1.00 2.71 H new ATOM 0 HG3 LYS A 71 7.570 -12.744 15.338 1.00 2.71 H new ATOM 0 HD2 LYS A 71 9.136 -14.910 13.843 1.00 2.69 H new ATOM 0 HD3 LYS A 71 8.481 -15.047 15.463 1.00 2.69 H new ATOM 0 HE2 LYS A 71 6.773 -14.517 12.977 1.00 2.34 H new ATOM 0 HE3 LYS A 71 7.020 -16.109 13.667 1.00 2.34 H new ATOM 0 HZ1 LYS A 71 5.031 -15.291 14.602 1.00 3.64 H new ATOM 0 HZ2 LYS A 71 6.189 -15.124 15.832 1.00 3.64 H new ATOM 0 HZ3 LYS A 71 5.700 -13.767 14.937 1.00 3.64 H new ATOM 826 N ASP A 72 8.541 -10.093 11.022 1.00 1.01 N ATOM 827 CA ASP A 72 9.165 -9.769 9.711 1.00 1.04 C ATOM 828 C ASP A 72 8.357 -8.669 9.031 1.00 2.51 C ATOM 829 O ASP A 72 7.791 -8.858 7.973 1.00 3.86 O ATOM 830 CB ASP A 72 9.167 -11.018 8.825 1.00 2.38 C ATOM 831 CG ASP A 72 10.502 -11.751 8.972 1.00 3.31 C ATOM 832 OD1 ASP A 72 11.510 -11.080 9.121 1.00 2.90 O ATOM 833 OD2 ASP A 72 10.493 -12.971 8.934 1.00 4.89 O ATOM 0 H ASP A 72 7.559 -9.832 11.110 1.00 1.01 H new ATOM 0 HA ASP A 72 10.190 -9.432 9.866 1.00 1.04 H new ATOM 0 HB2 ASP A 72 8.346 -11.677 9.107 1.00 2.38 H new ATOM 0 HB3 ASP A 72 9.008 -10.738 7.784 1.00 2.38 H new ATOM 838 N GLY A 73 8.293 -7.519 9.638 1.00 2.60 N ATOM 839 CA GLY A 73 7.517 -6.407 9.032 1.00 4.44 C ATOM 840 C GLY A 73 8.389 -5.158 8.949 1.00 3.65 C ATOM 841 O GLY A 73 8.821 -4.773 7.886 1.00 4.48 O ATOM 0 H GLY A 73 8.744 -7.302 10.527 1.00 2.60 H new ATOM 0 HA2 GLY A 73 7.174 -6.690 8.037 1.00 4.44 H new ATOM 0 HA3 GLY A 73 6.628 -6.203 9.629 1.00 4.44 H new ATOM 845 N CYS A 74 8.650 -4.529 10.065 1.00 2.19 N ATOM 846 CA CYS A 74 9.499 -3.297 10.056 1.00 1.36 C ATOM 847 C CYS A 74 9.517 -2.675 11.458 1.00 1.09 C ATOM 848 O CYS A 74 9.456 -1.471 11.613 1.00 1.00 O ATOM 849 CB CYS A 74 8.920 -2.274 9.063 1.00 1.37 C ATOM 850 SG CYS A 74 9.906 -2.217 7.537 1.00 1.29 S ATOM 0 H CYS A 74 8.312 -4.814 10.984 1.00 2.19 H new ATOM 0 HA CYS A 74 10.512 -3.565 9.757 1.00 1.36 H new ATOM 0 HB2 CYS A 74 7.889 -2.537 8.825 1.00 1.37 H new ATOM 0 HB3 CYS A 74 8.899 -1.286 9.524 1.00 1.37 H new ATOM 855 N PHE A 75 9.603 -3.481 12.481 1.00 1.21 N ATOM 856 CA PHE A 75 9.627 -2.921 13.863 1.00 0.95 C ATOM 857 C PHE A 75 10.858 -3.440 14.607 1.00 0.98 C ATOM 858 O PHE A 75 11.517 -4.363 14.170 1.00 1.40 O ATOM 859 CB PHE A 75 8.358 -3.347 14.606 1.00 1.04 C ATOM 860 CG PHE A 75 7.156 -2.727 13.939 1.00 1.26 C ATOM 861 CD1 PHE A 75 7.040 -1.334 13.861 1.00 1.69 C ATOM 862 CD2 PHE A 75 6.157 -3.543 13.397 1.00 1.46 C ATOM 863 CE1 PHE A 75 5.925 -0.757 13.240 1.00 2.03 C ATOM 864 CE2 PHE A 75 5.043 -2.968 12.776 1.00 1.63 C ATOM 865 CZ PHE A 75 4.925 -1.575 12.699 1.00 1.83 C ATOM 0 H PHE A 75 9.657 -4.498 12.421 1.00 1.21 H new ATOM 0 HA PHE A 75 9.671 -1.833 13.814 1.00 0.95 H new ATOM 0 HB2 PHE A 75 8.269 -4.433 14.604 1.00 1.04 H new ATOM 0 HB3 PHE A 75 8.411 -3.034 15.649 1.00 1.04 H new ATOM 0 HD1 PHE A 75 7.811 -0.704 14.280 1.00 1.69 H new ATOM 0 HD2 PHE A 75 6.246 -4.618 13.458 1.00 1.46 H new ATOM 0 HE1 PHE A 75 5.836 0.318 13.178 1.00 2.03 H new ATOM 0 HE2 PHE A 75 4.274 -3.599 12.356 1.00 1.63 H new ATOM 0 HZ PHE A 75 4.063 -1.131 12.223 1.00 1.83 H new ATOM 875 N GLN A 76 11.173 -2.856 15.730 1.00 0.75 N ATOM 876 CA GLN A 76 12.360 -3.312 16.506 1.00 0.78 C ATOM 877 C GLN A 76 12.225 -4.806 16.815 1.00 1.10 C ATOM 878 O GLN A 76 13.197 -5.487 17.072 1.00 1.21 O ATOM 879 CB GLN A 76 12.437 -2.523 17.816 1.00 0.55 C ATOM 880 CG GLN A 76 13.843 -2.639 18.408 1.00 0.84 C ATOM 881 CD GLN A 76 13.990 -1.648 19.565 1.00 0.86 C ATOM 882 OE1 GLN A 76 13.066 -0.925 19.882 1.00 0.55 O ATOM 883 NE2 GLN A 76 15.119 -1.585 20.214 1.00 2.01 N ATOM 0 H GLN A 76 10.657 -2.080 16.145 1.00 0.75 H new ATOM 0 HA GLN A 76 13.266 -3.145 15.924 1.00 0.78 H new ATOM 0 HB2 GLN A 76 12.194 -1.476 17.636 1.00 0.55 H new ATOM 0 HB3 GLN A 76 11.701 -2.904 18.525 1.00 0.55 H new ATOM 0 HG2 GLN A 76 14.019 -3.655 18.761 1.00 0.84 H new ATOM 0 HG3 GLN A 76 14.590 -2.434 17.642 1.00 0.84 H new ATOM 0 HE21 GLN A 76 15.895 -2.192 19.948 1.00 2.01 H new ATOM 0 HE22 GLN A 76 15.227 -0.929 20.988 1.00 2.01 H new ATOM 892 N SER A 77 11.026 -5.321 16.795 1.00 1.35 N ATOM 893 CA SER A 77 10.832 -6.769 17.091 1.00 1.77 C ATOM 894 C SER A 77 11.546 -7.615 16.035 1.00 1.84 C ATOM 895 O SER A 77 12.169 -8.611 16.344 1.00 1.14 O ATOM 896 CB SER A 77 9.337 -7.094 17.078 1.00 2.12 C ATOM 897 OG SER A 77 9.067 -8.089 18.058 1.00 2.18 O ATOM 0 H SER A 77 10.173 -4.802 16.587 1.00 1.35 H new ATOM 0 HA SER A 77 11.248 -6.994 18.073 1.00 1.77 H new ATOM 0 HB2 SER A 77 8.755 -6.196 17.285 1.00 2.12 H new ATOM 0 HB3 SER A 77 9.038 -7.448 16.091 1.00 2.12 H new ATOM 0 HG SER A 77 8.110 -8.300 18.055 1.00 2.18 H new ATOM 903 N GLY A 78 11.462 -7.233 14.788 1.00 3.15 N ATOM 904 CA GLY A 78 12.138 -8.030 13.725 1.00 3.26 C ATOM 905 C GLY A 78 12.770 -7.095 12.690 1.00 2.68 C ATOM 906 O GLY A 78 12.814 -7.397 11.515 1.00 2.57 O ATOM 0 H GLY A 78 10.958 -6.409 14.462 1.00 3.15 H new ATOM 0 HA2 GLY A 78 12.904 -8.666 14.168 1.00 3.26 H new ATOM 0 HA3 GLY A 78 11.418 -8.689 13.240 1.00 3.26 H new ATOM 910 N PHE A 79 13.269 -5.967 13.115 1.00 2.32 N ATOM 911 CA PHE A 79 13.907 -5.023 12.151 1.00 1.78 C ATOM 912 C PHE A 79 15.232 -5.623 11.675 1.00 1.33 C ATOM 913 O PHE A 79 16.100 -5.933 12.467 1.00 1.34 O ATOM 914 CB PHE A 79 14.166 -3.684 12.849 1.00 1.65 C ATOM 915 CG PHE A 79 14.880 -2.742 11.907 1.00 1.06 C ATOM 916 CD1 PHE A 79 16.270 -2.816 11.763 1.00 2.01 C ATOM 917 CD2 PHE A 79 14.150 -1.792 11.182 1.00 2.35 C ATOM 918 CE1 PHE A 79 16.932 -1.941 10.894 1.00 2.70 C ATOM 919 CE2 PHE A 79 14.813 -0.917 10.311 1.00 1.67 C ATOM 920 CZ PHE A 79 16.204 -0.992 10.168 1.00 1.27 C ATOM 0 H PHE A 79 13.263 -5.657 14.087 1.00 2.32 H new ATOM 0 HA PHE A 79 13.250 -4.860 11.296 1.00 1.78 H new ATOM 0 HB2 PHE A 79 13.222 -3.244 13.171 1.00 1.65 H new ATOM 0 HB3 PHE A 79 14.767 -3.841 13.745 1.00 1.65 H new ATOM 0 HD1 PHE A 79 16.832 -3.549 12.323 1.00 2.01 H new ATOM 0 HD2 PHE A 79 13.077 -1.734 11.294 1.00 2.35 H new ATOM 0 HE1 PHE A 79 18.005 -1.998 10.784 1.00 2.70 H new ATOM 0 HE2 PHE A 79 14.251 -0.185 9.750 1.00 1.67 H new ATOM 0 HZ PHE A 79 16.715 -0.317 9.497 1.00 1.27 H new ATOM 930 N ASN A 80 15.397 -5.800 10.391 1.00 1.18 N ATOM 931 CA ASN A 80 16.670 -6.390 9.889 1.00 0.88 C ATOM 932 C ASN A 80 17.215 -5.568 8.716 1.00 1.18 C ATOM 933 O ASN A 80 17.998 -6.054 7.929 1.00 2.68 O ATOM 934 CB ASN A 80 16.423 -7.830 9.438 1.00 0.95 C ATOM 935 CG ASN A 80 17.071 -8.791 10.438 1.00 0.96 C ATOM 936 OD1 ASN A 80 18.201 -8.597 10.838 1.00 1.13 O ATOM 937 ND2 ASN A 80 16.399 -9.825 10.865 1.00 1.50 N ATOM 0 H ASN A 80 14.711 -5.564 9.674 1.00 1.18 H new ATOM 0 HA ASN A 80 17.405 -6.379 10.694 1.00 0.88 H new ATOM 0 HB2 ASN A 80 15.352 -8.024 9.371 1.00 0.95 H new ATOM 0 HB3 ASN A 80 16.838 -7.988 8.443 1.00 0.95 H new ATOM 0 HD21 ASN A 80 16.823 -10.468 11.533 1.00 1.50 H new ATOM 0 HD22 ASN A 80 15.450 -9.990 10.530 1.00 1.50 H new ATOM 944 N GLU A 81 16.817 -4.324 8.610 1.00 0.43 N ATOM 945 CA GLU A 81 17.319 -3.445 7.504 1.00 0.20 C ATOM 946 C GLU A 81 16.870 -3.961 6.129 1.00 0.33 C ATOM 947 O GLU A 81 15.896 -3.499 5.573 1.00 0.39 O ATOM 948 CB GLU A 81 18.850 -3.387 7.547 1.00 0.60 C ATOM 949 CG GLU A 81 19.291 -2.210 8.418 1.00 0.52 C ATOM 950 CD GLU A 81 20.354 -1.397 7.678 1.00 1.36 C ATOM 951 OE1 GLU A 81 20.058 -0.919 6.596 1.00 2.13 O ATOM 952 OE2 GLU A 81 21.445 -1.266 8.207 1.00 1.67 O ATOM 0 H GLU A 81 16.160 -3.874 9.248 1.00 0.43 H new ATOM 0 HA GLU A 81 16.900 -2.449 7.650 1.00 0.20 H new ATOM 0 HB2 GLU A 81 19.249 -4.319 7.947 1.00 0.60 H new ATOM 0 HB3 GLU A 81 19.249 -3.277 6.539 1.00 0.60 H new ATOM 0 HG2 GLU A 81 18.435 -1.578 8.655 1.00 0.52 H new ATOM 0 HG3 GLU A 81 19.690 -2.574 9.365 1.00 0.52 H new ATOM 959 N GLU A 82 17.596 -4.886 5.562 1.00 0.41 N ATOM 960 CA GLU A 82 17.231 -5.404 4.210 1.00 0.54 C ATOM 961 C GLU A 82 15.815 -5.996 4.212 1.00 0.68 C ATOM 962 O GLU A 82 15.214 -6.159 3.173 1.00 0.71 O ATOM 963 CB GLU A 82 18.226 -6.493 3.804 1.00 0.84 C ATOM 964 CG GLU A 82 18.018 -6.855 2.332 1.00 1.23 C ATOM 965 CD GLU A 82 18.045 -8.376 2.171 1.00 1.72 C ATOM 966 OE1 GLU A 82 19.131 -8.920 2.059 1.00 1.25 O ATOM 967 OE2 GLU A 82 16.981 -8.970 2.163 1.00 3.20 O ATOM 0 H GLU A 82 18.428 -5.307 5.976 1.00 0.41 H new ATOM 0 HA GLU A 82 17.262 -4.576 3.502 1.00 0.54 H new ATOM 0 HB2 GLU A 82 19.247 -6.145 3.963 1.00 0.84 H new ATOM 0 HB3 GLU A 82 18.090 -7.376 4.429 1.00 0.84 H new ATOM 0 HG2 GLU A 82 17.066 -6.458 1.980 1.00 1.23 H new ATOM 0 HG3 GLU A 82 18.798 -6.400 1.721 1.00 1.23 H new ATOM 974 N THR A 83 15.272 -6.327 5.354 1.00 0.85 N ATOM 975 CA THR A 83 13.897 -6.911 5.365 1.00 1.11 C ATOM 976 C THR A 83 12.866 -5.787 5.305 1.00 1.11 C ATOM 977 O THR A 83 11.762 -5.969 4.835 1.00 1.28 O ATOM 978 CB THR A 83 13.674 -7.728 6.635 1.00 1.33 C ATOM 979 OG1 THR A 83 14.653 -8.755 6.720 1.00 1.42 O ATOM 980 CG2 THR A 83 12.277 -8.348 6.580 1.00 1.69 C ATOM 0 H THR A 83 15.713 -6.221 6.268 1.00 0.85 H new ATOM 0 HA THR A 83 13.788 -7.564 4.499 1.00 1.11 H new ATOM 0 HB THR A 83 13.759 -7.085 7.511 1.00 1.33 H new ATOM 0 HG1 THR A 83 14.509 -9.277 7.537 1.00 1.42 H new ATOM 0 HG21 THR A 83 12.104 -8.935 7.482 1.00 1.69 H new ATOM 0 HG22 THR A 83 11.530 -7.557 6.513 1.00 1.69 H new ATOM 0 HG23 THR A 83 12.200 -8.995 5.706 1.00 1.69 H new ATOM 988 N CYS A 84 13.219 -4.628 5.775 1.00 1.01 N ATOM 989 CA CYS A 84 12.267 -3.488 5.739 1.00 1.18 C ATOM 990 C CYS A 84 12.168 -2.991 4.300 1.00 1.03 C ATOM 991 O CYS A 84 11.103 -2.704 3.787 1.00 1.25 O ATOM 992 CB CYS A 84 12.805 -2.349 6.615 1.00 1.30 C ATOM 993 SG CYS A 84 11.838 -2.196 8.138 1.00 1.14 S ATOM 0 H CYS A 84 14.130 -4.420 6.184 1.00 1.01 H new ATOM 0 HA CYS A 84 11.291 -3.805 6.106 1.00 1.18 H new ATOM 0 HB2 CYS A 84 13.851 -2.536 6.860 1.00 1.30 H new ATOM 0 HB3 CYS A 84 12.770 -1.411 6.061 1.00 1.30 H new ATOM 998 N LEU A 85 13.294 -2.879 3.662 1.00 0.74 N ATOM 999 CA LEU A 85 13.344 -2.389 2.260 1.00 0.69 C ATOM 1000 C LEU A 85 12.766 -3.436 1.300 1.00 0.59 C ATOM 1001 O LEU A 85 12.038 -3.117 0.382 1.00 0.62 O ATOM 1002 CB LEU A 85 14.812 -2.146 1.911 1.00 0.61 C ATOM 1003 CG LEU A 85 14.945 -0.962 0.959 1.00 0.55 C ATOM 1004 CD1 LEU A 85 14.390 0.298 1.627 1.00 0.51 C ATOM 1005 CD2 LEU A 85 16.425 -0.758 0.633 1.00 0.45 C ATOM 0 H LEU A 85 14.203 -3.112 4.062 1.00 0.74 H new ATOM 0 HA LEU A 85 12.756 -1.476 2.165 1.00 0.69 H new ATOM 0 HB2 LEU A 85 15.381 -1.955 2.821 1.00 0.61 H new ATOM 0 HB3 LEU A 85 15.236 -3.039 1.452 1.00 0.61 H new ATOM 0 HG LEU A 85 14.386 -1.157 0.044 1.00 0.55 H new ATOM 0 HD11 LEU A 85 14.486 1.143 0.946 1.00 0.51 H new ATOM 0 HD12 LEU A 85 13.339 0.147 1.872 1.00 0.51 H new ATOM 0 HD13 LEU A 85 14.950 0.503 2.540 1.00 0.51 H new ATOM 0 HD21 LEU A 85 16.535 0.086 -0.048 1.00 0.45 H new ATOM 0 HD22 LEU A 85 16.976 -0.557 1.552 1.00 0.45 H new ATOM 0 HD23 LEU A 85 16.821 -1.658 0.162 1.00 0.45 H new ATOM 1017 N VAL A 86 13.107 -4.681 1.494 1.00 0.52 N ATOM 1018 CA VAL A 86 12.608 -5.757 0.585 1.00 0.47 C ATOM 1019 C VAL A 86 11.101 -5.967 0.768 1.00 0.40 C ATOM 1020 O VAL A 86 10.373 -6.120 -0.187 1.00 0.42 O ATOM 1021 CB VAL A 86 13.342 -7.060 0.917 1.00 0.43 C ATOM 1022 CG1 VAL A 86 12.804 -8.195 0.042 1.00 0.39 C ATOM 1023 CG2 VAL A 86 14.836 -6.881 0.644 1.00 0.40 C ATOM 0 H VAL A 86 13.714 -5.003 2.248 1.00 0.52 H new ATOM 0 HA VAL A 86 12.794 -5.464 -0.448 1.00 0.47 H new ATOM 0 HB VAL A 86 13.183 -7.306 1.967 1.00 0.43 H new ATOM 0 HG11 VAL A 86 13.329 -9.120 0.282 1.00 0.39 H new ATOM 0 HG12 VAL A 86 11.738 -8.324 0.229 1.00 0.39 H new ATOM 0 HG13 VAL A 86 12.961 -7.950 -1.008 1.00 0.39 H new ATOM 0 HG21 VAL A 86 15.362 -7.806 0.879 1.00 0.40 H new ATOM 0 HG22 VAL A 86 14.987 -6.635 -0.407 1.00 0.40 H new ATOM 0 HG23 VAL A 86 15.225 -6.074 1.265 1.00 0.40 H new ATOM 1033 N LYS A 87 10.627 -6.004 1.980 1.00 0.41 N ATOM 1034 CA LYS A 87 9.168 -6.232 2.193 1.00 0.35 C ATOM 1035 C LYS A 87 8.366 -5.069 1.610 1.00 0.41 C ATOM 1036 O LYS A 87 7.329 -5.264 1.012 1.00 0.37 O ATOM 1037 CB LYS A 87 8.877 -6.367 3.689 1.00 0.36 C ATOM 1038 CG LYS A 87 9.285 -7.766 4.165 1.00 0.66 C ATOM 1039 CD LYS A 87 8.536 -8.829 3.354 1.00 0.23 C ATOM 1040 CE LYS A 87 8.015 -9.916 4.296 1.00 0.22 C ATOM 1041 NZ LYS A 87 6.739 -9.467 4.922 1.00 2.18 N ATOM 0 H LYS A 87 11.180 -5.887 2.829 1.00 0.41 H new ATOM 0 HA LYS A 87 8.875 -7.152 1.687 1.00 0.35 H new ATOM 0 HB2 LYS A 87 9.425 -5.607 4.247 1.00 0.36 H new ATOM 0 HB3 LYS A 87 7.817 -6.201 3.881 1.00 0.36 H new ATOM 0 HG2 LYS A 87 10.361 -7.900 4.051 1.00 0.66 H new ATOM 0 HG3 LYS A 87 9.060 -7.879 5.226 1.00 0.66 H new ATOM 0 HD2 LYS A 87 7.706 -8.372 2.814 1.00 0.23 H new ATOM 0 HD3 LYS A 87 9.199 -9.267 2.608 1.00 0.23 H new ATOM 0 HE2 LYS A 87 7.855 -10.843 3.745 1.00 0.22 H new ATOM 0 HE3 LYS A 87 8.755 -10.128 5.067 1.00 0.22 H new ATOM 0 HZ1 LYS A 87 6.904 -9.243 5.924 1.00 2.18 H new ATOM 0 HZ2 LYS A 87 6.391 -8.619 4.431 1.00 2.18 H new ATOM 0 HZ3 LYS A 87 6.031 -10.225 4.849 1.00 2.18 H new ATOM 1055 N ILE A 88 8.837 -3.865 1.764 1.00 0.60 N ATOM 1056 CA ILE A 88 8.090 -2.709 1.193 1.00 0.68 C ATOM 1057 C ILE A 88 8.360 -2.639 -0.313 1.00 0.45 C ATOM 1058 O ILE A 88 7.609 -2.055 -1.065 1.00 0.41 O ATOM 1059 CB ILE A 88 8.548 -1.418 1.872 1.00 1.01 C ATOM 1060 CG1 ILE A 88 8.146 -1.468 3.348 1.00 1.23 C ATOM 1061 CG2 ILE A 88 7.883 -0.214 1.196 1.00 1.24 C ATOM 1062 CD1 ILE A 88 8.586 -0.183 4.044 1.00 0.94 C ATOM 0 H ILE A 88 9.699 -3.631 2.256 1.00 0.60 H new ATOM 0 HA ILE A 88 7.021 -2.834 1.364 1.00 0.68 H new ATOM 0 HB ILE A 88 9.630 -1.319 1.786 1.00 1.01 H new ATOM 0 HG12 ILE A 88 7.067 -1.590 3.437 1.00 1.23 H new ATOM 0 HG13 ILE A 88 8.605 -2.330 3.831 1.00 1.23 H new ATOM 0 HG21 ILE A 88 8.212 0.704 1.683 1.00 1.24 H new ATOM 0 HG22 ILE A 88 8.164 -0.187 0.143 1.00 1.24 H new ATOM 0 HG23 ILE A 88 6.800 -0.302 1.281 1.00 1.24 H new ATOM 0 HD11 ILE A 88 8.298 -0.221 5.095 1.00 0.94 H new ATOM 0 HD12 ILE A 88 9.668 -0.080 3.968 1.00 0.94 H new ATOM 0 HD13 ILE A 88 8.106 0.672 3.567 1.00 0.94 H new ATOM 1074 N ILE A 89 9.421 -3.248 -0.755 1.00 0.40 N ATOM 1075 CA ILE A 89 9.741 -3.244 -2.204 1.00 0.32 C ATOM 1076 C ILE A 89 8.769 -4.214 -2.897 1.00 0.26 C ATOM 1077 O ILE A 89 7.842 -3.810 -3.575 1.00 0.29 O ATOM 1078 CB ILE A 89 11.220 -3.672 -2.345 1.00 0.58 C ATOM 1079 CG1 ILE A 89 12.101 -2.422 -2.330 1.00 0.69 C ATOM 1080 CG2 ILE A 89 11.494 -4.457 -3.635 1.00 0.78 C ATOM 1081 CD1 ILE A 89 13.555 -2.824 -2.075 1.00 0.76 C ATOM 0 H ILE A 89 10.086 -3.753 -0.168 1.00 0.40 H new ATOM 0 HA ILE A 89 9.624 -2.266 -2.671 1.00 0.32 H new ATOM 0 HB ILE A 89 11.449 -4.332 -1.508 1.00 0.58 H new ATOM 0 HG12 ILE A 89 12.020 -1.896 -3.281 1.00 0.69 H new ATOM 0 HG13 ILE A 89 11.762 -1.734 -1.555 1.00 0.69 H new ATOM 0 HG21 ILE A 89 12.548 -4.730 -3.678 1.00 0.78 H new ATOM 0 HG22 ILE A 89 10.885 -5.361 -3.647 1.00 0.78 H new ATOM 0 HG23 ILE A 89 11.244 -3.839 -4.497 1.00 0.78 H new ATOM 0 HD11 ILE A 89 14.182 -1.933 -2.064 1.00 0.76 H new ATOM 0 HD12 ILE A 89 13.629 -3.331 -1.113 1.00 0.76 H new ATOM 0 HD13 ILE A 89 13.891 -3.495 -2.866 1.00 0.76 H new ATOM 1093 N THR A 90 8.971 -5.487 -2.721 1.00 0.42 N ATOM 1094 CA THR A 90 8.062 -6.485 -3.345 1.00 0.67 C ATOM 1095 C THR A 90 6.632 -6.247 -2.849 1.00 0.66 C ATOM 1096 O THR A 90 5.669 -6.562 -3.518 1.00 0.86 O ATOM 1097 CB THR A 90 8.511 -7.893 -2.939 1.00 0.85 C ATOM 1098 OG1 THR A 90 7.708 -8.853 -3.611 1.00 1.67 O ATOM 1099 CG2 THR A 90 8.362 -8.072 -1.425 1.00 0.67 C ATOM 0 H THR A 90 9.732 -5.882 -2.168 1.00 0.42 H new ATOM 0 HA THR A 90 8.093 -6.386 -4.430 1.00 0.67 H new ATOM 0 HB THR A 90 9.557 -8.031 -3.213 1.00 0.85 H new ATOM 0 HG1 THR A 90 7.570 -8.572 -4.540 1.00 1.67 H new ATOM 0 HG21 THR A 90 8.683 -9.075 -1.144 1.00 0.67 H new ATOM 0 HG22 THR A 90 8.978 -7.336 -0.909 1.00 0.67 H new ATOM 0 HG23 THR A 90 7.318 -7.933 -1.143 1.00 0.67 H new ATOM 1107 N GLY A 91 6.495 -5.698 -1.672 1.00 0.52 N ATOM 1108 CA GLY A 91 5.136 -5.443 -1.116 1.00 0.66 C ATOM 1109 C GLY A 91 4.513 -4.233 -1.809 1.00 0.49 C ATOM 1110 O GLY A 91 3.310 -4.135 -1.947 1.00 0.59 O ATOM 0 H GLY A 91 7.268 -5.415 -1.070 1.00 0.52 H new ATOM 0 HA2 GLY A 91 4.504 -6.320 -1.258 1.00 0.66 H new ATOM 0 HA3 GLY A 91 5.199 -5.266 -0.042 1.00 0.66 H new ATOM 1114 N LEU A 92 5.321 -3.309 -2.247 1.00 0.25 N ATOM 1115 CA LEU A 92 4.774 -2.106 -2.931 1.00 0.14 C ATOM 1116 C LEU A 92 4.336 -2.484 -4.348 1.00 0.04 C ATOM 1117 O LEU A 92 3.452 -1.872 -4.913 1.00 0.09 O ATOM 1118 CB LEU A 92 5.851 -1.021 -2.997 1.00 0.21 C ATOM 1119 CG LEU A 92 5.764 -0.134 -1.751 1.00 0.36 C ATOM 1120 CD1 LEU A 92 6.846 0.946 -1.814 1.00 0.55 C ATOM 1121 CD2 LEU A 92 4.386 0.530 -1.692 1.00 0.77 C ATOM 0 H LEU A 92 6.337 -3.335 -2.161 1.00 0.25 H new ATOM 0 HA LEU A 92 3.916 -1.728 -2.375 1.00 0.14 H new ATOM 0 HB2 LEU A 92 6.838 -1.478 -3.062 1.00 0.21 H new ATOM 0 HB3 LEU A 92 5.719 -0.418 -3.895 1.00 0.21 H new ATOM 0 HG LEU A 92 5.913 -0.745 -0.861 1.00 0.36 H new ATOM 0 HD11 LEU A 92 6.783 1.576 -0.927 1.00 0.55 H new ATOM 0 HD12 LEU A 92 7.828 0.475 -1.855 1.00 0.55 H new ATOM 0 HD13 LEU A 92 6.699 1.557 -2.705 1.00 0.55 H new ATOM 0 HD21 LEU A 92 4.324 1.161 -0.805 1.00 0.77 H new ATOM 0 HD22 LEU A 92 4.238 1.140 -2.583 1.00 0.77 H new ATOM 0 HD23 LEU A 92 3.614 -0.238 -1.645 1.00 0.77 H new ATOM 1133 N LEU A 93 4.939 -3.489 -4.926 1.00 0.19 N ATOM 1134 CA LEU A 93 4.538 -3.901 -6.303 1.00 0.36 C ATOM 1135 C LEU A 93 3.106 -4.458 -6.250 1.00 0.41 C ATOM 1136 O LEU A 93 2.222 -4.053 -6.997 1.00 0.44 O ATOM 1137 CB LEU A 93 5.488 -4.993 -6.804 1.00 0.46 C ATOM 1138 CG LEU A 93 6.687 -4.351 -7.498 1.00 0.90 C ATOM 1139 CD1 LEU A 93 7.918 -5.243 -7.323 1.00 1.10 C ATOM 1140 CD2 LEU A 93 6.384 -4.193 -8.988 1.00 1.05 C ATOM 0 H LEU A 93 5.688 -4.040 -4.507 1.00 0.19 H new ATOM 0 HA LEU A 93 4.583 -3.046 -6.977 1.00 0.36 H new ATOM 0 HB2 LEU A 93 5.825 -5.607 -5.969 1.00 0.46 H new ATOM 0 HB3 LEU A 93 4.966 -5.654 -7.496 1.00 0.46 H new ATOM 0 HG LEU A 93 6.881 -3.373 -7.057 1.00 0.90 H new ATOM 0 HD11 LEU A 93 8.773 -4.784 -7.819 1.00 1.10 H new ATOM 0 HD12 LEU A 93 8.134 -5.361 -6.261 1.00 1.10 H new ATOM 0 HD13 LEU A 93 7.725 -6.221 -7.764 1.00 1.10 H new ATOM 0 HD21 LEU A 93 7.238 -3.735 -9.486 1.00 1.05 H new ATOM 0 HD22 LEU A 93 6.191 -5.172 -9.426 1.00 1.05 H new ATOM 0 HD23 LEU A 93 5.507 -3.559 -9.116 1.00 1.05 H new ATOM 1152 N GLU A 94 2.864 -5.378 -5.355 1.00 0.44 N ATOM 1153 CA GLU A 94 1.496 -5.941 -5.231 1.00 0.52 C ATOM 1154 C GLU A 94 0.565 -4.802 -4.830 1.00 0.42 C ATOM 1155 O GLU A 94 -0.554 -4.694 -5.289 1.00 0.40 O ATOM 1156 CB GLU A 94 1.483 -7.032 -4.159 1.00 0.63 C ATOM 1157 CG GLU A 94 1.925 -8.359 -4.779 1.00 1.00 C ATOM 1158 CD GLU A 94 1.079 -9.500 -4.211 1.00 1.01 C ATOM 1159 OE1 GLU A 94 -0.003 -9.722 -4.729 1.00 2.00 O ATOM 1160 OE2 GLU A 94 1.529 -10.133 -3.271 1.00 0.86 O ATOM 0 H GLU A 94 3.554 -5.760 -4.708 1.00 0.44 H new ATOM 0 HA GLU A 94 1.172 -6.383 -6.173 1.00 0.52 H new ATOM 0 HB2 GLU A 94 2.149 -6.761 -3.340 1.00 0.63 H new ATOM 0 HB3 GLU A 94 0.483 -7.130 -3.737 1.00 0.63 H new ATOM 0 HG2 GLU A 94 1.818 -8.319 -5.863 1.00 1.00 H new ATOM 0 HG3 GLU A 94 2.980 -8.536 -4.569 1.00 1.00 H new ATOM 1167 N PHE A 95 1.044 -3.924 -3.992 1.00 0.34 N ATOM 1168 CA PHE A 95 0.215 -2.764 -3.580 1.00 0.25 C ATOM 1169 C PHE A 95 -0.119 -1.958 -4.833 1.00 0.19 C ATOM 1170 O PHE A 95 -1.136 -1.305 -4.912 1.00 0.16 O ATOM 1171 CB PHE A 95 1.013 -1.883 -2.618 1.00 0.20 C ATOM 1172 CG PHE A 95 0.753 -2.303 -1.193 1.00 0.37 C ATOM 1173 CD1 PHE A 95 -0.555 -2.533 -0.758 1.00 0.84 C ATOM 1174 CD2 PHE A 95 1.823 -2.451 -0.305 1.00 1.20 C ATOM 1175 CE1 PHE A 95 -0.796 -2.909 0.564 1.00 0.83 C ATOM 1176 CE2 PHE A 95 1.582 -2.827 1.019 1.00 1.35 C ATOM 1177 CZ PHE A 95 0.272 -3.056 1.455 1.00 0.70 C ATOM 0 H PHE A 95 1.975 -3.963 -3.576 1.00 0.34 H new ATOM 0 HA PHE A 95 -0.694 -3.104 -3.085 1.00 0.25 H new ATOM 0 HB2 PHE A 95 2.077 -1.961 -2.840 1.00 0.20 H new ATOM 0 HB3 PHE A 95 0.735 -0.838 -2.754 1.00 0.20 H new ATOM 0 HD1 PHE A 95 -1.380 -2.420 -1.446 1.00 0.84 H new ATOM 0 HD2 PHE A 95 2.834 -2.275 -0.642 1.00 1.20 H new ATOM 0 HE1 PHE A 95 -1.807 -3.086 0.899 1.00 0.83 H new ATOM 0 HE2 PHE A 95 2.407 -2.941 1.706 1.00 1.35 H new ATOM 0 HZ PHE A 95 0.086 -3.346 2.479 1.00 0.70 H new ATOM 1187 N GLU A 96 0.749 -2.000 -5.811 1.00 0.23 N ATOM 1188 CA GLU A 96 0.508 -1.244 -7.070 1.00 0.29 C ATOM 1189 C GLU A 96 -0.753 -1.790 -7.749 1.00 0.36 C ATOM 1190 O GLU A 96 -1.570 -1.037 -8.237 1.00 0.39 O ATOM 1191 CB GLU A 96 1.760 -1.344 -7.985 1.00 0.43 C ATOM 1192 CG GLU A 96 1.606 -2.404 -9.092 1.00 1.59 C ATOM 1193 CD GLU A 96 0.772 -1.828 -10.238 1.00 1.57 C ATOM 1194 OE1 GLU A 96 0.953 -0.661 -10.547 1.00 0.89 O ATOM 1195 OE2 GLU A 96 -0.030 -2.564 -10.791 1.00 3.07 O ATOM 0 H GLU A 96 1.620 -2.530 -5.788 1.00 0.23 H new ATOM 0 HA GLU A 96 0.343 -0.187 -6.859 1.00 0.29 H new ATOM 0 HB2 GLU A 96 1.949 -0.373 -8.442 1.00 0.43 H new ATOM 0 HB3 GLU A 96 2.631 -1.585 -7.376 1.00 0.43 H new ATOM 0 HG2 GLU A 96 2.587 -2.707 -9.459 1.00 1.59 H new ATOM 0 HG3 GLU A 96 1.125 -3.296 -8.691 1.00 1.59 H new ATOM 1202 N VAL A 97 -0.924 -3.087 -7.781 1.00 0.41 N ATOM 1203 CA VAL A 97 -2.156 -3.640 -8.429 1.00 0.48 C ATOM 1204 C VAL A 97 -3.378 -3.240 -7.589 1.00 0.36 C ATOM 1205 O VAL A 97 -4.456 -3.013 -8.107 1.00 0.30 O ATOM 1206 CB VAL A 97 -2.062 -5.170 -8.562 1.00 0.64 C ATOM 1207 CG1 VAL A 97 -2.026 -5.837 -7.184 1.00 0.65 C ATOM 1208 CG2 VAL A 97 -3.276 -5.680 -9.341 1.00 0.62 C ATOM 0 H VAL A 97 -0.279 -3.777 -7.395 1.00 0.41 H new ATOM 0 HA VAL A 97 -2.255 -3.230 -9.434 1.00 0.48 H new ATOM 0 HB VAL A 97 -1.142 -5.420 -9.090 1.00 0.64 H new ATOM 0 HG11 VAL A 97 -1.960 -6.918 -7.305 1.00 0.65 H new ATOM 0 HG12 VAL A 97 -1.158 -5.480 -6.629 1.00 0.65 H new ATOM 0 HG13 VAL A 97 -2.935 -5.588 -6.636 1.00 0.65 H new ATOM 0 HG21 VAL A 97 -3.216 -6.764 -9.439 1.00 0.62 H new ATOM 0 HG22 VAL A 97 -4.189 -5.414 -8.808 1.00 0.62 H new ATOM 0 HG23 VAL A 97 -3.289 -5.226 -10.332 1.00 0.62 H new ATOM 1218 N TYR A 98 -3.217 -3.114 -6.300 1.00 0.35 N ATOM 1219 CA TYR A 98 -4.368 -2.692 -5.457 1.00 0.28 C ATOM 1220 C TYR A 98 -4.622 -1.207 -5.713 1.00 0.20 C ATOM 1221 O TYR A 98 -5.726 -0.714 -5.574 1.00 0.22 O ATOM 1222 CB TYR A 98 -4.046 -2.932 -3.982 1.00 0.30 C ATOM 1223 CG TYR A 98 -4.103 -4.415 -3.712 1.00 0.40 C ATOM 1224 CD1 TYR A 98 -5.342 -5.063 -3.636 1.00 0.39 C ATOM 1225 CD2 TYR A 98 -2.919 -5.144 -3.554 1.00 0.52 C ATOM 1226 CE1 TYR A 98 -5.396 -6.442 -3.401 1.00 0.51 C ATOM 1227 CE2 TYR A 98 -2.974 -6.523 -3.317 1.00 0.63 C ATOM 1228 CZ TYR A 98 -4.213 -7.171 -3.241 1.00 0.62 C ATOM 1229 OH TYR A 98 -4.269 -8.531 -3.009 1.00 0.74 O ATOM 0 H TYR A 98 -2.345 -3.284 -5.799 1.00 0.35 H new ATOM 0 HA TYR A 98 -5.258 -3.270 -5.708 1.00 0.28 H new ATOM 0 HB2 TYR A 98 -3.057 -2.542 -3.742 1.00 0.30 H new ATOM 0 HB3 TYR A 98 -4.759 -2.404 -3.348 1.00 0.30 H new ATOM 0 HD1 TYR A 98 -6.255 -4.499 -3.759 1.00 0.39 H new ATOM 0 HD2 TYR A 98 -1.964 -4.644 -3.615 1.00 0.52 H new ATOM 0 HE1 TYR A 98 -6.351 -6.943 -3.343 1.00 0.51 H new ATOM 0 HE2 TYR A 98 -2.061 -7.087 -3.193 1.00 0.63 H new ATOM 0 HH TYR A 98 -5.195 -8.794 -2.827 1.00 0.74 H new ATOM 1239 N LEU A 99 -3.606 -0.496 -6.132 1.00 0.19 N ATOM 1240 CA LEU A 99 -3.783 0.941 -6.448 1.00 0.22 C ATOM 1241 C LEU A 99 -4.473 1.018 -7.799 1.00 0.22 C ATOM 1242 O LEU A 99 -5.252 1.910 -8.062 1.00 0.21 O ATOM 1243 CB LEU A 99 -2.425 1.628 -6.493 1.00 0.37 C ATOM 1244 CG LEU A 99 -1.852 1.653 -5.080 1.00 0.40 C ATOM 1245 CD1 LEU A 99 -0.355 1.933 -5.137 1.00 0.50 C ATOM 1246 CD2 LEU A 99 -2.551 2.748 -4.271 1.00 0.54 C ATOM 0 H LEU A 99 -2.661 -0.856 -6.267 1.00 0.19 H new ATOM 0 HA LEU A 99 -4.382 1.444 -5.689 1.00 0.22 H new ATOM 0 HB2 LEU A 99 -1.753 1.096 -7.166 1.00 0.37 H new ATOM 0 HB3 LEU A 99 -2.525 2.642 -6.880 1.00 0.37 H new ATOM 0 HG LEU A 99 -2.016 0.687 -4.603 1.00 0.40 H new ATOM 0 HD11 LEU A 99 0.051 1.950 -4.125 1.00 0.50 H new ATOM 0 HD12 LEU A 99 0.140 1.151 -5.713 1.00 0.50 H new ATOM 0 HD13 LEU A 99 -0.183 2.898 -5.613 1.00 0.50 H new ATOM 0 HD21 LEU A 99 -2.144 2.769 -3.260 1.00 0.54 H new ATOM 0 HD22 LEU A 99 -2.387 3.714 -4.749 1.00 0.54 H new ATOM 0 HD23 LEU A 99 -3.620 2.542 -4.228 1.00 0.54 H new ATOM 1258 N GLU A 100 -4.256 0.030 -8.631 1.00 0.30 N ATOM 1259 CA GLU A 100 -4.970 -0.015 -9.928 1.00 0.40 C ATOM 1260 C GLU A 100 -6.451 -0.102 -9.552 1.00 0.36 C ATOM 1261 O GLU A 100 -7.319 0.456 -10.196 1.00 0.37 O ATOM 1262 CB GLU A 100 -4.509 -1.258 -10.710 1.00 0.57 C ATOM 1263 CG GLU A 100 -5.485 -1.579 -11.839 1.00 0.63 C ATOM 1264 CD GLU A 100 -5.624 -0.363 -12.758 1.00 0.76 C ATOM 1265 OE1 GLU A 100 -4.776 -0.195 -13.618 1.00 2.17 O ATOM 1266 OE2 GLU A 100 -6.576 0.379 -12.584 1.00 1.11 O ATOM 0 H GLU A 100 -3.614 -0.744 -8.461 1.00 0.30 H new ATOM 0 HA GLU A 100 -4.777 0.849 -10.564 1.00 0.40 H new ATOM 0 HB2 GLU A 100 -3.514 -1.087 -11.121 1.00 0.57 H new ATOM 0 HB3 GLU A 100 -4.433 -2.111 -10.035 1.00 0.57 H new ATOM 0 HG2 GLU A 100 -5.129 -2.438 -12.407 1.00 0.63 H new ATOM 0 HG3 GLU A 100 -6.457 -1.849 -11.427 1.00 0.63 H new ATOM 1273 N TYR A 101 -6.711 -0.761 -8.448 1.00 0.35 N ATOM 1274 CA TYR A 101 -8.087 -0.867 -7.916 1.00 0.35 C ATOM 1275 C TYR A 101 -8.615 0.539 -7.661 1.00 0.29 C ATOM 1276 O TYR A 101 -9.679 0.914 -8.114 1.00 0.34 O ATOM 1277 CB TYR A 101 -8.023 -1.628 -6.587 1.00 0.38 C ATOM 1278 CG TYR A 101 -9.230 -2.515 -6.424 1.00 0.32 C ATOM 1279 CD1 TYR A 101 -9.692 -3.278 -7.499 1.00 0.51 C ATOM 1280 CD2 TYR A 101 -9.877 -2.582 -5.185 1.00 0.31 C ATOM 1281 CE1 TYR A 101 -10.807 -4.107 -7.342 1.00 0.51 C ATOM 1282 CE2 TYR A 101 -10.991 -3.411 -5.025 1.00 0.24 C ATOM 1283 CZ TYR A 101 -11.457 -4.173 -6.103 1.00 0.26 C ATOM 1284 OH TYR A 101 -12.559 -4.987 -5.942 1.00 0.28 O ATOM 0 H TYR A 101 -6.004 -1.237 -7.888 1.00 0.35 H new ATOM 0 HA TYR A 101 -8.739 -1.386 -8.619 1.00 0.35 H new ATOM 0 HB2 TYR A 101 -7.115 -2.230 -6.550 1.00 0.38 H new ATOM 0 HB3 TYR A 101 -7.970 -0.921 -5.759 1.00 0.38 H new ATOM 0 HD1 TYR A 101 -9.187 -3.228 -8.453 1.00 0.51 H new ATOM 0 HD2 TYR A 101 -9.516 -1.994 -4.354 1.00 0.31 H new ATOM 0 HE1 TYR A 101 -11.166 -4.695 -8.174 1.00 0.51 H new ATOM 0 HE2 TYR A 101 -11.492 -3.464 -4.070 1.00 0.24 H new ATOM 0 HH TYR A 101 -12.887 -4.915 -5.021 1.00 0.28 H new ATOM 1294 N LEU A 102 -7.875 1.311 -6.922 1.00 0.20 N ATOM 1295 CA LEU A 102 -8.312 2.696 -6.601 1.00 0.18 C ATOM 1296 C LEU A 102 -7.768 3.682 -7.636 1.00 0.12 C ATOM 1297 O LEU A 102 -7.779 4.877 -7.423 1.00 0.10 O ATOM 1298 CB LEU A 102 -7.783 3.075 -5.218 1.00 0.22 C ATOM 1299 CG LEU A 102 -8.040 1.928 -4.237 1.00 0.32 C ATOM 1300 CD1 LEU A 102 -6.791 1.681 -3.395 1.00 0.37 C ATOM 1301 CD2 LEU A 102 -9.209 2.301 -3.333 1.00 0.43 C ATOM 0 H LEU A 102 -6.977 1.040 -6.522 1.00 0.20 H new ATOM 0 HA LEU A 102 -9.401 2.738 -6.614 1.00 0.18 H new ATOM 0 HB2 LEU A 102 -6.715 3.288 -5.272 1.00 0.22 H new ATOM 0 HB3 LEU A 102 -8.272 3.984 -4.867 1.00 0.22 H new ATOM 0 HG LEU A 102 -8.279 1.018 -4.788 1.00 0.32 H new ATOM 0 HD11 LEU A 102 -6.978 0.864 -2.698 1.00 0.37 H new ATOM 0 HD12 LEU A 102 -5.958 1.418 -4.048 1.00 0.37 H new ATOM 0 HD13 LEU A 102 -6.544 2.584 -2.837 1.00 0.37 H new ATOM 0 HD21 LEU A 102 -9.399 1.489 -2.631 1.00 0.43 H new ATOM 0 HD22 LEU A 102 -8.967 3.209 -2.781 1.00 0.43 H new ATOM 0 HD23 LEU A 102 -10.098 2.472 -3.940 1.00 0.43 H new ATOM 1313 N GLN A 103 -7.286 3.206 -8.750 1.00 0.19 N ATOM 1314 CA GLN A 103 -6.741 4.140 -9.773 1.00 0.24 C ATOM 1315 C GLN A 103 -7.880 4.636 -10.667 1.00 0.39 C ATOM 1316 O GLN A 103 -7.814 5.704 -11.242 1.00 0.67 O ATOM 1317 CB GLN A 103 -5.702 3.414 -10.630 1.00 0.27 C ATOM 1318 CG GLN A 103 -5.049 4.413 -11.587 1.00 0.32 C ATOM 1319 CD GLN A 103 -4.473 3.667 -12.793 1.00 0.28 C ATOM 1320 OE1 GLN A 103 -3.272 3.574 -12.947 1.00 1.32 O ATOM 1321 NE2 GLN A 103 -5.284 3.128 -13.661 1.00 1.01 N ATOM 0 H GLN A 103 -7.246 2.217 -8.995 1.00 0.19 H new ATOM 0 HA GLN A 103 -6.271 4.988 -9.275 1.00 0.24 H new ATOM 0 HB2 GLN A 103 -4.946 2.955 -9.994 1.00 0.27 H new ATOM 0 HB3 GLN A 103 -6.176 2.610 -11.193 1.00 0.27 H new ATOM 0 HG2 GLN A 103 -5.783 5.148 -11.918 1.00 0.32 H new ATOM 0 HG3 GLN A 103 -4.258 4.960 -11.074 1.00 0.32 H new ATOM 0 HE21 GLN A 103 -6.293 3.205 -13.533 1.00 1.01 H new ATOM 0 HE22 GLN A 103 -4.909 2.629 -14.468 1.00 1.01 H new ATOM 1330 N ASN A 104 -8.922 3.859 -10.798 1.00 0.27 N ATOM 1331 CA ASN A 104 -10.064 4.274 -11.663 1.00 0.38 C ATOM 1332 C ASN A 104 -11.367 4.283 -10.850 1.00 0.41 C ATOM 1333 O ASN A 104 -12.309 4.974 -11.185 1.00 0.44 O ATOM 1334 CB ASN A 104 -10.196 3.291 -12.829 1.00 0.47 C ATOM 1335 CG ASN A 104 -10.823 4.000 -14.031 1.00 0.73 C ATOM 1336 OD1 ASN A 104 -12.013 3.910 -14.251 1.00 1.48 O ATOM 1337 ND2 ASN A 104 -10.065 4.706 -14.824 1.00 1.49 N ATOM 0 H ASN A 104 -9.031 2.953 -10.342 1.00 0.27 H new ATOM 0 HA ASN A 104 -9.879 5.278 -12.045 1.00 0.38 H new ATOM 0 HB2 ASN A 104 -9.216 2.896 -13.098 1.00 0.47 H new ATOM 0 HB3 ASN A 104 -10.812 2.441 -12.533 1.00 0.47 H new ATOM 0 HD21 ASN A 104 -10.473 5.182 -15.629 1.00 1.49 H new ATOM 0 HD22 ASN A 104 -9.065 4.782 -14.639 1.00 1.49 H new ATOM 1344 N ARG A 105 -11.432 3.525 -9.787 1.00 0.41 N ATOM 1345 CA ARG A 105 -12.674 3.499 -8.963 1.00 0.44 C ATOM 1346 C ARG A 105 -13.022 4.922 -8.517 1.00 0.48 C ATOM 1347 O ARG A 105 -14.152 5.219 -8.180 1.00 0.46 O ATOM 1348 CB ARG A 105 -12.447 2.618 -7.729 1.00 0.49 C ATOM 1349 CG ARG A 105 -13.768 1.977 -7.306 1.00 0.90 C ATOM 1350 CD ARG A 105 -14.275 2.646 -6.027 1.00 2.05 C ATOM 1351 NE ARG A 105 -15.651 3.171 -6.253 1.00 2.83 N ATOM 1352 CZ ARG A 105 -16.648 2.706 -5.551 1.00 2.75 C ATOM 1353 NH1 ARG A 105 -16.950 3.252 -4.406 1.00 3.60 N ATOM 1354 NH2 ARG A 105 -17.341 1.692 -5.994 1.00 2.07 N ATOM 0 H ARG A 105 -10.678 2.923 -9.455 1.00 0.41 H new ATOM 0 HA ARG A 105 -13.495 3.094 -9.555 1.00 0.44 H new ATOM 0 HB2 ARG A 105 -11.711 1.845 -7.952 1.00 0.49 H new ATOM 0 HB3 ARG A 105 -12.043 3.216 -6.912 1.00 0.49 H new ATOM 0 HG2 ARG A 105 -14.506 2.082 -8.101 1.00 0.90 H new ATOM 0 HG3 ARG A 105 -13.629 0.909 -7.139 1.00 0.90 H new ATOM 0 HD2 ARG A 105 -14.278 1.929 -5.206 1.00 2.05 H new ATOM 0 HD3 ARG A 105 -13.607 3.458 -5.739 1.00 2.05 H new ATOM 0 HE ARG A 105 -15.813 3.893 -6.955 1.00 2.83 H new ATOM 0 HH11 ARG A 105 -16.407 4.043 -4.059 1.00 3.60 H new ATOM 0 HH12 ARG A 105 -17.729 2.888 -3.857 1.00 3.60 H new ATOM 0 HH21 ARG A 105 -17.103 1.264 -6.889 1.00 2.07 H new ATOM 0 HH22 ARG A 105 -18.120 1.328 -5.446 1.00 2.07 H new ATOM 1368 N PHE A 106 -12.060 5.802 -8.509 1.00 0.58 N ATOM 1369 CA PHE A 106 -12.327 7.204 -8.083 1.00 0.64 C ATOM 1370 C PHE A 106 -12.591 8.079 -9.312 1.00 0.69 C ATOM 1371 O PHE A 106 -11.702 8.350 -10.095 1.00 0.69 O ATOM 1372 CB PHE A 106 -11.107 7.736 -7.332 1.00 0.55 C ATOM 1373 CG PHE A 106 -11.142 7.250 -5.903 1.00 0.38 C ATOM 1374 CD1 PHE A 106 -11.855 7.968 -4.934 1.00 0.78 C ATOM 1375 CD2 PHE A 106 -10.460 6.081 -5.545 1.00 0.86 C ATOM 1376 CE1 PHE A 106 -11.887 7.517 -3.609 1.00 0.55 C ATOM 1377 CE2 PHE A 106 -10.491 5.630 -4.220 1.00 1.04 C ATOM 1378 CZ PHE A 106 -11.205 6.347 -3.252 1.00 0.42 C ATOM 0 H PHE A 106 -11.096 5.609 -8.781 1.00 0.58 H new ATOM 0 HA PHE A 106 -13.202 7.228 -7.434 1.00 0.64 H new ATOM 0 HB2 PHE A 106 -10.192 7.399 -7.819 1.00 0.55 H new ATOM 0 HB3 PHE A 106 -11.099 8.826 -7.356 1.00 0.55 H new ATOM 0 HD1 PHE A 106 -12.381 8.870 -5.209 1.00 0.78 H new ATOM 0 HD2 PHE A 106 -9.910 5.527 -6.291 1.00 0.86 H new ATOM 0 HE1 PHE A 106 -12.437 8.071 -2.863 1.00 0.55 H new ATOM 0 HE2 PHE A 106 -9.964 4.729 -3.944 1.00 1.04 H new ATOM 0 HZ PHE A 106 -11.230 5.998 -2.230 1.00 0.42 H new ATOM 1388 N GLU A 107 -13.804 8.530 -9.484 1.00 1.02 N ATOM 1389 CA GLU A 107 -14.121 9.394 -10.656 1.00 1.09 C ATOM 1390 C GLU A 107 -14.256 10.844 -10.187 1.00 1.22 C ATOM 1391 O GLU A 107 -14.014 11.775 -10.929 1.00 1.37 O ATOM 1392 CB GLU A 107 -15.432 8.934 -11.297 1.00 1.22 C ATOM 1393 CG GLU A 107 -16.514 8.818 -10.222 1.00 1.08 C ATOM 1394 CD GLU A 107 -17.779 9.543 -10.689 1.00 2.10 C ATOM 1395 OE1 GLU A 107 -17.758 10.761 -10.734 1.00 3.71 O ATOM 1396 OE2 GLU A 107 -18.748 8.865 -10.993 1.00 1.38 O ATOM 0 H GLU A 107 -14.590 8.337 -8.863 1.00 1.02 H new ATOM 0 HA GLU A 107 -13.321 9.320 -11.393 1.00 1.09 H new ATOM 0 HB2 GLU A 107 -15.742 9.643 -12.065 1.00 1.22 H new ATOM 0 HB3 GLU A 107 -15.290 7.972 -11.790 1.00 1.22 H new ATOM 0 HG2 GLU A 107 -16.735 7.769 -10.025 1.00 1.08 H new ATOM 0 HG3 GLU A 107 -16.159 9.250 -9.286 1.00 1.08 H new ATOM 1403 N SER A 108 -14.620 11.040 -8.948 1.00 1.20 N ATOM 1404 CA SER A 108 -14.746 12.426 -8.417 1.00 1.32 C ATOM 1405 C SER A 108 -13.396 12.824 -7.830 1.00 1.08 C ATOM 1406 O SER A 108 -12.869 13.884 -8.101 1.00 1.23 O ATOM 1407 CB SER A 108 -15.821 12.472 -7.330 1.00 1.45 C ATOM 1408 OG SER A 108 -15.453 11.601 -6.268 1.00 1.77 O ATOM 0 H SER A 108 -14.835 10.299 -8.281 1.00 1.20 H new ATOM 0 HA SER A 108 -15.033 13.114 -9.212 1.00 1.32 H new ATOM 0 HB2 SER A 108 -15.935 13.490 -6.958 1.00 1.45 H new ATOM 0 HB3 SER A 108 -16.785 12.174 -7.743 1.00 1.45 H new ATOM 0 HG SER A 108 -16.139 11.630 -5.569 1.00 1.77 H new ATOM 1414 N SER A 109 -12.820 11.954 -7.048 1.00 0.79 N ATOM 1415 CA SER A 109 -11.486 12.237 -6.458 1.00 0.60 C ATOM 1416 C SER A 109 -10.441 11.495 -7.291 1.00 0.53 C ATOM 1417 O SER A 109 -9.423 11.054 -6.794 1.00 0.42 O ATOM 1418 CB SER A 109 -11.447 11.737 -5.015 1.00 0.31 C ATOM 1419 OG SER A 109 -10.960 12.772 -4.171 1.00 0.51 O ATOM 0 H SER A 109 -13.221 11.052 -6.792 1.00 0.79 H new ATOM 0 HA SER A 109 -11.285 13.308 -6.461 1.00 0.60 H new ATOM 0 HB2 SER A 109 -12.444 11.432 -4.697 1.00 0.31 H new ATOM 0 HB3 SER A 109 -10.806 10.859 -4.940 1.00 0.31 H new ATOM 0 HG SER A 109 -10.936 12.454 -3.244 1.00 0.51 H new ATOM 1425 N GLU A 110 -10.709 11.337 -8.562 1.00 0.61 N ATOM 1426 CA GLU A 110 -9.773 10.611 -9.460 1.00 0.56 C ATOM 1427 C GLU A 110 -8.337 11.107 -9.257 1.00 0.50 C ATOM 1428 O GLU A 110 -7.406 10.329 -9.187 1.00 0.37 O ATOM 1429 CB GLU A 110 -10.191 10.852 -10.912 1.00 0.71 C ATOM 1430 CG GLU A 110 -9.307 10.022 -11.843 1.00 0.90 C ATOM 1431 CD GLU A 110 -9.284 10.661 -13.234 1.00 1.78 C ATOM 1432 OE1 GLU A 110 -10.158 11.466 -13.510 1.00 1.85 O ATOM 1433 OE2 GLU A 110 -8.393 10.333 -14.000 1.00 2.48 O ATOM 0 H GLU A 110 -11.551 11.687 -9.019 1.00 0.61 H new ATOM 0 HA GLU A 110 -9.810 9.547 -9.227 1.00 0.56 H new ATOM 0 HB2 GLU A 110 -11.238 10.581 -11.050 1.00 0.71 H new ATOM 0 HB3 GLU A 110 -10.101 11.910 -11.156 1.00 0.71 H new ATOM 0 HG2 GLU A 110 -8.295 9.962 -11.442 1.00 0.90 H new ATOM 0 HG3 GLU A 110 -9.685 9.002 -11.907 1.00 0.90 H new ATOM 1440 N GLU A 111 -8.146 12.394 -9.174 1.00 0.64 N ATOM 1441 CA GLU A 111 -6.768 12.935 -8.990 1.00 0.66 C ATOM 1442 C GLU A 111 -6.163 12.397 -7.690 1.00 0.57 C ATOM 1443 O GLU A 111 -4.995 12.067 -7.627 1.00 0.60 O ATOM 1444 CB GLU A 111 -6.827 14.463 -8.934 1.00 0.82 C ATOM 1445 CG GLU A 111 -6.546 15.033 -10.326 1.00 0.74 C ATOM 1446 CD GLU A 111 -7.869 15.273 -11.057 1.00 1.19 C ATOM 1447 OE1 GLU A 111 -8.465 16.314 -10.836 1.00 1.19 O ATOM 1448 OE2 GLU A 111 -8.262 14.413 -11.829 1.00 2.58 O ATOM 0 H GLU A 111 -8.884 13.096 -9.226 1.00 0.64 H new ATOM 0 HA GLU A 111 -6.145 12.622 -9.828 1.00 0.66 H new ATOM 0 HB2 GLU A 111 -7.808 14.788 -8.587 1.00 0.82 H new ATOM 0 HB3 GLU A 111 -6.095 14.840 -8.220 1.00 0.82 H new ATOM 0 HG2 GLU A 111 -5.990 15.967 -10.243 1.00 0.74 H new ATOM 0 HG3 GLU A 111 -5.924 14.342 -10.895 1.00 0.74 H new ATOM 1455 N GLN A 112 -6.943 12.312 -6.649 1.00 0.48 N ATOM 1456 CA GLN A 112 -6.409 11.805 -5.350 1.00 0.43 C ATOM 1457 C GLN A 112 -6.130 10.299 -5.449 1.00 0.38 C ATOM 1458 O GLN A 112 -5.329 9.760 -4.711 1.00 0.76 O ATOM 1459 CB GLN A 112 -7.437 12.065 -4.249 1.00 0.39 C ATOM 1460 CG GLN A 112 -7.885 13.527 -4.312 1.00 0.25 C ATOM 1461 CD GLN A 112 -7.760 14.162 -2.926 1.00 0.48 C ATOM 1462 OE1 GLN A 112 -8.680 14.796 -2.449 1.00 1.63 O ATOM 1463 NE2 GLN A 112 -6.651 14.017 -2.253 1.00 1.14 N ATOM 0 H GLN A 112 -7.929 12.572 -6.640 1.00 0.48 H new ATOM 0 HA GLN A 112 -5.479 12.322 -5.115 1.00 0.43 H new ATOM 0 HB2 GLN A 112 -8.295 11.404 -4.373 1.00 0.39 H new ATOM 0 HB3 GLN A 112 -7.005 11.847 -3.273 1.00 0.39 H new ATOM 0 HG2 GLN A 112 -7.275 14.074 -5.030 1.00 0.25 H new ATOM 0 HG3 GLN A 112 -8.917 13.587 -4.659 1.00 0.25 H new ATOM 0 HE21 GLN A 112 -5.878 13.485 -2.652 1.00 1.14 H new ATOM 0 HE22 GLN A 112 -6.558 14.436 -1.328 1.00 1.14 H new ATOM 1472 N ALA A 113 -6.781 9.619 -6.351 1.00 0.13 N ATOM 1473 CA ALA A 113 -6.552 8.150 -6.496 1.00 0.10 C ATOM 1474 C ALA A 113 -5.307 7.912 -7.358 1.00 0.24 C ATOM 1475 O ALA A 113 -4.266 7.507 -6.873 1.00 0.28 O ATOM 1476 CB ALA A 113 -7.767 7.521 -7.180 1.00 0.25 C ATOM 0 H ALA A 113 -7.464 10.016 -6.996 1.00 0.13 H new ATOM 0 HA ALA A 113 -6.406 7.701 -5.514 1.00 0.10 H new ATOM 0 HB1 ALA A 113 -7.608 6.448 -7.290 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -8.656 7.696 -6.575 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -7.904 7.970 -8.164 1.00 0.25 H new ATOM 1482 N ARG A 114 -5.411 8.161 -8.636 1.00 0.90 N ATOM 1483 CA ARG A 114 -4.248 7.957 -9.551 1.00 1.12 C ATOM 1484 C ARG A 114 -2.991 8.598 -8.953 1.00 1.14 C ATOM 1485 O ARG A 114 -1.881 8.174 -9.210 1.00 1.26 O ATOM 1486 CB ARG A 114 -4.563 8.611 -10.901 1.00 1.33 C ATOM 1487 CG ARG A 114 -3.340 8.534 -11.821 1.00 0.74 C ATOM 1488 CD ARG A 114 -2.928 9.948 -12.236 1.00 1.24 C ATOM 1489 NE ARG A 114 -2.111 9.884 -13.479 1.00 1.37 N ATOM 1490 CZ ARG A 114 -2.674 10.079 -14.639 1.00 1.05 C ATOM 1491 NH1 ARG A 114 -2.921 11.293 -15.048 1.00 1.83 N ATOM 1492 NH2 ARG A 114 -2.995 9.059 -15.387 1.00 0.28 N ATOM 0 H ARG A 114 -6.259 8.500 -9.090 1.00 0.90 H new ATOM 0 HA ARG A 114 -4.070 6.890 -9.684 1.00 1.12 H new ATOM 0 HB2 ARG A 114 -5.411 8.110 -11.368 1.00 1.33 H new ATOM 0 HB3 ARG A 114 -4.851 9.652 -10.752 1.00 1.33 H new ATOM 0 HG2 ARG A 114 -2.516 8.039 -11.308 1.00 0.74 H new ATOM 0 HG3 ARG A 114 -3.571 7.937 -12.703 1.00 0.74 H new ATOM 0 HD2 ARG A 114 -3.813 10.562 -12.402 1.00 1.24 H new ATOM 0 HD3 ARG A 114 -2.357 10.421 -11.437 1.00 1.24 H new ATOM 0 HE ARG A 114 -1.112 9.688 -13.423 1.00 1.37 H new ATOM 0 HH11 ARG A 114 -2.674 12.089 -14.461 1.00 1.83 H new ATOM 0 HH12 ARG A 114 -3.361 11.446 -15.955 1.00 1.83 H new ATOM 0 HH21 ARG A 114 -2.806 8.110 -15.064 1.00 0.28 H new ATOM 0 HH22 ARG A 114 -3.435 9.211 -16.294 1.00 0.28 H new ATOM 1506 N ALA A 115 -3.156 9.622 -8.164 1.00 1.06 N ATOM 1507 CA ALA A 115 -1.974 10.293 -7.559 1.00 1.14 C ATOM 1508 C ALA A 115 -1.392 9.423 -6.443 1.00 0.92 C ATOM 1509 O ALA A 115 -0.216 9.116 -6.435 1.00 1.35 O ATOM 1510 CB ALA A 115 -2.401 11.645 -6.986 1.00 1.23 C ATOM 0 H ALA A 115 -4.059 10.023 -7.912 1.00 1.06 H new ATOM 0 HA ALA A 115 -1.213 10.442 -8.325 1.00 1.14 H new ATOM 0 HB1 ALA A 115 -1.538 12.141 -6.541 1.00 1.23 H new ATOM 0 HB2 ALA A 115 -2.805 12.267 -7.784 1.00 1.23 H new ATOM 0 HB3 ALA A 115 -3.164 11.492 -6.223 1.00 1.23 H new ATOM 1516 N VAL A 116 -2.201 9.023 -5.498 1.00 0.31 N ATOM 1517 CA VAL A 116 -1.682 8.179 -4.382 1.00 0.24 C ATOM 1518 C VAL A 116 -0.994 6.929 -4.950 1.00 0.26 C ATOM 1519 O VAL A 116 -0.198 6.294 -4.288 1.00 0.60 O ATOM 1520 CB VAL A 116 -2.844 7.758 -3.471 1.00 0.36 C ATOM 1521 CG1 VAL A 116 -3.807 6.840 -4.228 1.00 0.74 C ATOM 1522 CG2 VAL A 116 -2.291 7.011 -2.256 1.00 0.15 C ATOM 0 H VAL A 116 -3.196 9.243 -5.450 1.00 0.31 H new ATOM 0 HA VAL A 116 -0.959 8.755 -3.804 1.00 0.24 H new ATOM 0 HB VAL A 116 -3.381 8.651 -3.149 1.00 0.36 H new ATOM 0 HG11 VAL A 116 -4.626 6.549 -3.570 1.00 0.74 H new ATOM 0 HG12 VAL A 116 -4.207 7.367 -5.094 1.00 0.74 H new ATOM 0 HG13 VAL A 116 -3.275 5.949 -4.560 1.00 0.74 H new ATOM 0 HG21 VAL A 116 -3.114 6.711 -1.608 1.00 0.15 H new ATOM 0 HG22 VAL A 116 -1.750 6.125 -2.589 1.00 0.15 H new ATOM 0 HG23 VAL A 116 -1.614 7.664 -1.705 1.00 0.15 H new ATOM 1532 N GLN A 117 -1.311 6.560 -6.165 1.00 0.07 N ATOM 1533 CA GLN A 117 -0.697 5.342 -6.766 1.00 0.33 C ATOM 1534 C GLN A 117 0.672 5.667 -7.381 1.00 0.46 C ATOM 1535 O GLN A 117 1.688 5.164 -6.946 1.00 0.70 O ATOM 1536 CB GLN A 117 -1.628 4.804 -7.855 1.00 0.41 C ATOM 1537 CG GLN A 117 -0.992 3.585 -8.521 1.00 0.75 C ATOM 1538 CD GLN A 117 -1.989 2.949 -9.490 1.00 1.52 C ATOM 1539 OE1 GLN A 117 -2.821 3.628 -10.058 1.00 1.53 O ATOM 1540 NE2 GLN A 117 -1.941 1.662 -9.703 1.00 2.61 N ATOM 0 H GLN A 117 -1.971 7.053 -6.767 1.00 0.07 H new ATOM 0 HA GLN A 117 -0.555 4.595 -5.985 1.00 0.33 H new ATOM 0 HB2 GLN A 117 -2.591 4.533 -7.422 1.00 0.41 H new ATOM 0 HB3 GLN A 117 -1.819 5.578 -8.598 1.00 0.41 H new ATOM 0 HG2 GLN A 117 -0.089 3.880 -9.055 1.00 0.75 H new ATOM 0 HG3 GLN A 117 -0.692 2.860 -7.764 1.00 0.75 H new ATOM 0 HE21 GLN A 117 -1.242 1.092 -9.226 1.00 2.61 H new ATOM 0 HE22 GLN A 117 -2.602 1.227 -10.346 1.00 2.61 H new ATOM 1549 N MET A 118 0.706 6.482 -8.402 1.00 0.66 N ATOM 1550 CA MET A 118 2.008 6.816 -9.060 1.00 0.85 C ATOM 1551 C MET A 118 3.060 7.188 -8.010 1.00 0.55 C ATOM 1552 O MET A 118 4.235 6.932 -8.182 1.00 0.46 O ATOM 1553 CB MET A 118 1.805 7.992 -10.017 1.00 1.17 C ATOM 1554 CG MET A 118 0.808 7.591 -11.109 1.00 1.45 C ATOM 1555 SD MET A 118 1.654 7.514 -12.708 1.00 1.98 S ATOM 1556 CE MET A 118 1.981 9.285 -12.873 1.00 1.74 C ATOM 0 H MET A 118 -0.112 6.933 -8.811 1.00 0.66 H new ATOM 0 HA MET A 118 2.358 5.944 -9.612 1.00 0.85 H new ATOM 0 HB2 MET A 118 1.434 8.860 -9.471 1.00 1.17 H new ATOM 0 HB3 MET A 118 2.756 8.279 -10.465 1.00 1.17 H new ATOM 0 HG2 MET A 118 0.366 6.623 -10.874 1.00 1.45 H new ATOM 0 HG3 MET A 118 -0.008 8.312 -11.153 1.00 1.45 H new ATOM 0 HE1 MET A 118 1.996 9.555 -13.929 1.00 1.74 H new ATOM 0 HE2 MET A 118 1.198 9.848 -12.365 1.00 1.74 H new ATOM 0 HE3 MET A 118 2.946 9.520 -12.425 1.00 1.74 H new ATOM 1566 N SER A 119 2.654 7.785 -6.924 1.00 0.45 N ATOM 1567 CA SER A 119 3.642 8.163 -5.872 1.00 0.21 C ATOM 1568 C SER A 119 4.335 6.901 -5.346 1.00 0.14 C ATOM 1569 O SER A 119 5.548 6.780 -5.380 1.00 0.22 O ATOM 1570 CB SER A 119 2.916 8.864 -4.723 1.00 0.37 C ATOM 1571 OG SER A 119 2.815 10.253 -5.008 1.00 1.07 O ATOM 0 H SER A 119 1.685 8.027 -6.719 1.00 0.45 H new ATOM 0 HA SER A 119 4.387 8.836 -6.296 1.00 0.21 H new ATOM 0 HB2 SER A 119 1.923 8.435 -4.590 1.00 0.37 H new ATOM 0 HB3 SER A 119 3.457 8.711 -3.789 1.00 0.37 H new ATOM 0 HG SER A 119 1.888 10.546 -4.884 1.00 1.07 H new ATOM 1577 N THR A 120 3.578 5.956 -4.859 1.00 0.39 N ATOM 1578 CA THR A 120 4.195 4.706 -4.334 1.00 0.63 C ATOM 1579 C THR A 120 4.855 3.929 -5.477 1.00 0.52 C ATOM 1580 O THR A 120 5.621 3.013 -5.250 1.00 0.54 O ATOM 1581 CB THR A 120 3.122 3.841 -3.667 1.00 1.00 C ATOM 1582 OG1 THR A 120 3.740 2.727 -3.043 1.00 2.73 O ATOM 1583 CG2 THR A 120 2.121 3.349 -4.710 1.00 1.04 C ATOM 0 H THR A 120 2.560 5.996 -4.802 1.00 0.39 H new ATOM 0 HA THR A 120 4.955 4.965 -3.597 1.00 0.63 H new ATOM 0 HB THR A 120 2.594 4.436 -2.922 1.00 1.00 H new ATOM 0 HG1 THR A 120 4.671 2.947 -2.829 1.00 2.73 H new ATOM 0 HG21 THR A 120 1.362 2.735 -4.225 1.00 1.04 H new ATOM 0 HG22 THR A 120 1.644 4.204 -5.188 1.00 1.04 H new ATOM 0 HG23 THR A 120 2.641 2.756 -5.462 1.00 1.04 H new ATOM 1591 N LYS A 121 4.587 4.293 -6.704 1.00 0.45 N ATOM 1592 CA LYS A 121 5.233 3.579 -7.836 1.00 0.47 C ATOM 1593 C LYS A 121 6.607 4.210 -8.051 1.00 0.37 C ATOM 1594 O LYS A 121 7.542 3.574 -8.499 1.00 0.38 O ATOM 1595 CB LYS A 121 4.390 3.730 -9.103 1.00 0.61 C ATOM 1596 CG LYS A 121 4.385 2.403 -9.864 1.00 1.15 C ATOM 1597 CD LYS A 121 5.531 2.393 -10.879 1.00 1.50 C ATOM 1598 CE LYS A 121 5.173 1.472 -12.048 1.00 1.51 C ATOM 1599 NZ LYS A 121 6.333 1.380 -12.980 1.00 2.62 N ATOM 0 H LYS A 121 3.953 5.048 -6.966 1.00 0.45 H new ATOM 0 HA LYS A 121 5.325 2.516 -7.614 1.00 0.47 H new ATOM 0 HB2 LYS A 121 3.371 4.019 -8.844 1.00 0.61 H new ATOM 0 HB3 LYS A 121 4.796 4.522 -9.732 1.00 0.61 H new ATOM 0 HG2 LYS A 121 4.494 1.572 -9.168 1.00 1.15 H new ATOM 0 HG3 LYS A 121 3.431 2.268 -10.375 1.00 1.15 H new ATOM 0 HD2 LYS A 121 5.717 3.404 -11.243 1.00 1.50 H new ATOM 0 HD3 LYS A 121 6.450 2.052 -10.402 1.00 1.50 H new ATOM 0 HE2 LYS A 121 4.911 0.481 -11.677 1.00 1.51 H new ATOM 0 HE3 LYS A 121 4.299 1.857 -12.574 1.00 1.51 H new ATOM 0 HZ1 LYS A 121 6.091 0.754 -13.775 1.00 2.62 H new ATOM 0 HZ2 LYS A 121 6.563 2.327 -13.343 1.00 2.62 H new ATOM 0 HZ3 LYS A 121 7.155 0.994 -12.474 1.00 2.62 H new ATOM 1613 N VAL A 122 6.735 5.460 -7.702 1.00 0.34 N ATOM 1614 CA VAL A 122 8.037 6.153 -7.841 1.00 0.40 C ATOM 1615 C VAL A 122 8.937 5.735 -6.676 1.00 0.23 C ATOM 1616 O VAL A 122 10.142 5.831 -6.748 1.00 0.22 O ATOM 1617 CB VAL A 122 7.807 7.661 -7.796 1.00 0.59 C ATOM 1618 CG1 VAL A 122 9.149 8.387 -7.840 1.00 0.76 C ATOM 1619 CG2 VAL A 122 6.964 8.073 -9.001 1.00 0.78 C ATOM 0 H VAL A 122 5.982 6.034 -7.323 1.00 0.34 H new ATOM 0 HA VAL A 122 8.509 5.889 -8.787 1.00 0.40 H new ATOM 0 HB VAL A 122 7.287 7.925 -6.875 1.00 0.59 H new ATOM 0 HG11 VAL A 122 8.981 9.464 -7.808 1.00 0.76 H new ATOM 0 HG12 VAL A 122 9.753 8.088 -6.983 1.00 0.76 H new ATOM 0 HG13 VAL A 122 9.672 8.129 -8.761 1.00 0.76 H new ATOM 0 HG21 VAL A 122 6.795 9.150 -8.976 1.00 0.78 H new ATOM 0 HG22 VAL A 122 7.489 7.809 -9.919 1.00 0.78 H new ATOM 0 HG23 VAL A 122 6.006 7.555 -8.969 1.00 0.78 H new ATOM 1629 N LEU A 123 8.357 5.277 -5.599 1.00 0.22 N ATOM 1630 CA LEU A 123 9.180 4.852 -4.432 1.00 0.40 C ATOM 1631 C LEU A 123 9.516 3.367 -4.561 1.00 0.50 C ATOM 1632 O LEU A 123 10.581 2.923 -4.180 1.00 0.56 O ATOM 1633 CB LEU A 123 8.393 5.102 -3.154 1.00 0.78 C ATOM 1634 CG LEU A 123 8.106 6.594 -3.057 1.00 1.13 C ATOM 1635 CD1 LEU A 123 7.104 6.847 -1.936 1.00 2.12 C ATOM 1636 CD2 LEU A 123 9.413 7.339 -2.773 1.00 2.02 C ATOM 0 H LEU A 123 7.349 5.179 -5.478 1.00 0.22 H new ATOM 0 HA LEU A 123 10.108 5.423 -4.402 1.00 0.40 H new ATOM 0 HB2 LEU A 123 7.462 4.536 -3.164 1.00 0.78 H new ATOM 0 HB3 LEU A 123 8.961 4.767 -2.286 1.00 0.78 H new ATOM 0 HG LEU A 123 7.684 6.953 -3.996 1.00 1.13 H new ATOM 0 HD11 LEU A 123 6.898 7.915 -1.866 1.00 2.12 H new ATOM 0 HD12 LEU A 123 6.178 6.312 -2.148 1.00 2.12 H new ATOM 0 HD13 LEU A 123 7.518 6.495 -0.991 1.00 2.12 H new ATOM 0 HD21 LEU A 123 9.214 8.408 -2.702 1.00 2.02 H new ATOM 0 HD22 LEU A 123 9.836 6.986 -1.833 1.00 2.02 H new ATOM 0 HD23 LEU A 123 10.120 7.154 -3.581 1.00 2.02 H new ATOM 1648 N ILE A 124 8.623 2.601 -5.119 1.00 0.71 N ATOM 1649 CA ILE A 124 8.886 1.156 -5.309 1.00 1.04 C ATOM 1650 C ILE A 124 9.976 1.028 -6.367 1.00 0.98 C ATOM 1651 O ILE A 124 10.807 0.140 -6.328 1.00 1.04 O ATOM 1652 CB ILE A 124 7.594 0.480 -5.777 1.00 1.33 C ATOM 1653 CG1 ILE A 124 7.820 -1.036 -5.933 1.00 1.71 C ATOM 1654 CG2 ILE A 124 7.144 1.106 -7.093 1.00 1.81 C ATOM 1655 CD1 ILE A 124 8.213 -1.376 -7.375 1.00 2.86 C ATOM 0 H ILE A 124 7.714 2.921 -5.454 1.00 0.71 H new ATOM 0 HA ILE A 124 9.211 0.678 -4.385 1.00 1.04 H new ATOM 0 HB ILE A 124 6.810 0.629 -5.035 1.00 1.33 H new ATOM 0 HG12 ILE A 124 8.603 -1.365 -5.250 1.00 1.71 H new ATOM 0 HG13 ILE A 124 6.912 -1.575 -5.661 1.00 1.71 H new ATOM 0 HG21 ILE A 124 6.224 0.626 -7.428 1.00 1.81 H new ATOM 0 HG22 ILE A 124 6.965 2.171 -6.947 1.00 1.81 H new ATOM 0 HG23 ILE A 124 7.920 0.968 -7.846 1.00 1.81 H new ATOM 0 HD11 ILE A 124 8.368 -2.451 -7.466 1.00 2.86 H new ATOM 0 HD12 ILE A 124 7.417 -1.066 -8.052 1.00 2.86 H new ATOM 0 HD13 ILE A 124 9.134 -0.853 -7.634 1.00 2.86 H new ATOM 1667 N GLN A 125 9.989 1.939 -7.301 1.00 0.91 N ATOM 1668 CA GLN A 125 11.025 1.917 -8.356 1.00 0.94 C ATOM 1669 C GLN A 125 12.269 2.634 -7.827 1.00 0.71 C ATOM 1670 O GLN A 125 13.389 2.244 -8.100 1.00 0.68 O ATOM 1671 CB GLN A 125 10.485 2.642 -9.585 1.00 1.03 C ATOM 1672 CG GLN A 125 9.911 1.619 -10.565 1.00 1.31 C ATOM 1673 CD GLN A 125 10.493 1.855 -11.959 1.00 1.59 C ATOM 1674 OE1 GLN A 125 11.642 1.548 -12.210 1.00 2.74 O ATOM 1675 NE2 GLN A 125 9.744 2.388 -12.885 1.00 1.43 N ATOM 0 H GLN A 125 9.317 2.703 -7.374 1.00 0.91 H new ATOM 0 HA GLN A 125 11.283 0.893 -8.627 1.00 0.94 H new ATOM 0 HB2 GLN A 125 9.713 3.354 -9.291 1.00 1.03 H new ATOM 0 HB3 GLN A 125 11.281 3.213 -10.063 1.00 1.03 H new ATOM 0 HG2 GLN A 125 10.145 0.609 -10.229 1.00 1.31 H new ATOM 0 HG3 GLN A 125 8.825 1.701 -10.596 1.00 1.31 H new ATOM 0 HE21 GLN A 125 8.780 2.646 -12.675 1.00 1.43 H new ATOM 0 HE22 GLN A 125 10.123 2.547 -13.819 1.00 1.43 H new ATOM 1684 N PHE A 126 12.078 3.673 -7.050 1.00 0.58 N ATOM 1685 CA PHE A 126 13.250 4.399 -6.486 1.00 0.38 C ATOM 1686 C PHE A 126 14.046 3.423 -5.618 1.00 0.33 C ATOM 1687 O PHE A 126 15.241 3.548 -5.461 1.00 0.24 O ATOM 1688 CB PHE A 126 12.767 5.575 -5.626 1.00 0.31 C ATOM 1689 CG PHE A 126 12.721 6.851 -6.446 1.00 0.29 C ATOM 1690 CD1 PHE A 126 12.374 6.810 -7.805 1.00 0.39 C ATOM 1691 CD2 PHE A 126 13.021 8.080 -5.842 1.00 0.30 C ATOM 1692 CE1 PHE A 126 12.329 7.989 -8.556 1.00 0.40 C ATOM 1693 CE2 PHE A 126 12.975 9.261 -6.595 1.00 0.28 C ATOM 1694 CZ PHE A 126 12.630 9.215 -7.951 1.00 0.28 C ATOM 0 H PHE A 126 11.166 4.045 -6.786 1.00 0.58 H new ATOM 0 HA PHE A 126 13.875 4.785 -7.291 1.00 0.38 H new ATOM 0 HB2 PHE A 126 11.777 5.357 -5.226 1.00 0.31 H new ATOM 0 HB3 PHE A 126 13.433 5.708 -4.774 1.00 0.31 H new ATOM 0 HD1 PHE A 126 12.141 5.865 -8.273 1.00 0.39 H new ATOM 0 HD2 PHE A 126 13.288 8.117 -4.796 1.00 0.30 H new ATOM 0 HE1 PHE A 126 12.062 7.954 -9.602 1.00 0.40 H new ATOM 0 HE2 PHE A 126 13.206 10.207 -6.129 1.00 0.28 H new ATOM 0 HZ PHE A 126 12.596 10.126 -8.531 1.00 0.28 H new ATOM 1704 N LEU A 127 13.382 2.446 -5.060 1.00 0.40 N ATOM 1705 CA LEU A 127 14.085 1.447 -4.206 1.00 0.40 C ATOM 1706 C LEU A 127 14.768 0.411 -5.097 1.00 0.36 C ATOM 1707 O LEU A 127 15.905 0.042 -4.878 1.00 0.33 O ATOM 1708 CB LEU A 127 13.065 0.737 -3.312 1.00 0.51 C ATOM 1709 CG LEU A 127 12.642 1.667 -2.176 1.00 0.33 C ATOM 1710 CD1 LEU A 127 11.483 1.034 -1.403 1.00 0.97 C ATOM 1711 CD2 LEU A 127 13.826 1.889 -1.232 1.00 0.42 C ATOM 0 H LEU A 127 12.378 2.297 -5.160 1.00 0.40 H new ATOM 0 HA LEU A 127 14.828 1.954 -3.591 1.00 0.40 H new ATOM 0 HB2 LEU A 127 12.194 0.444 -3.899 1.00 0.51 H new ATOM 0 HB3 LEU A 127 13.497 -0.177 -2.905 1.00 0.51 H new ATOM 0 HG LEU A 127 12.322 2.624 -2.589 1.00 0.33 H new ATOM 0 HD11 LEU A 127 11.181 1.697 -0.592 1.00 0.97 H new ATOM 0 HD12 LEU A 127 10.640 0.876 -2.076 1.00 0.97 H new ATOM 0 HD13 LEU A 127 11.801 0.077 -0.989 1.00 0.97 H new ATOM 0 HD21 LEU A 127 13.525 2.552 -0.421 1.00 0.42 H new ATOM 0 HD22 LEU A 127 14.146 0.933 -0.819 1.00 0.42 H new ATOM 0 HD23 LEU A 127 14.651 2.340 -1.783 1.00 0.42 H new ATOM 1723 N GLN A 128 14.074 -0.065 -6.097 1.00 0.40 N ATOM 1724 CA GLN A 128 14.660 -1.088 -7.012 1.00 0.37 C ATOM 1725 C GLN A 128 16.069 -0.672 -7.441 1.00 0.49 C ATOM 1726 O GLN A 128 17.013 -1.424 -7.308 1.00 0.66 O ATOM 1727 CB GLN A 128 13.776 -1.222 -8.254 1.00 0.21 C ATOM 1728 CG GLN A 128 12.423 -1.813 -7.856 1.00 0.81 C ATOM 1729 CD GLN A 128 12.105 -3.010 -8.754 1.00 0.94 C ATOM 1730 OE1 GLN A 128 12.993 -3.731 -9.163 1.00 1.56 O ATOM 1731 NE2 GLN A 128 10.865 -3.254 -9.078 1.00 1.41 N ATOM 0 H GLN A 128 13.119 0.214 -6.321 1.00 0.40 H new ATOM 0 HA GLN A 128 14.714 -2.042 -6.487 1.00 0.37 H new ATOM 0 HB2 GLN A 128 13.636 -0.247 -8.720 1.00 0.21 H new ATOM 0 HB3 GLN A 128 14.261 -1.861 -8.992 1.00 0.21 H new ATOM 0 HG2 GLN A 128 12.443 -2.124 -6.811 1.00 0.81 H new ATOM 0 HG3 GLN A 128 11.643 -1.058 -7.949 1.00 0.81 H new ATOM 0 HE21 GLN A 128 10.120 -2.649 -8.734 1.00 1.41 H new ATOM 0 HE22 GLN A 128 10.641 -4.050 -9.675 1.00 1.41 H new ATOM 1740 N LYS A 129 16.221 0.517 -7.955 1.00 0.47 N ATOM 1741 CA LYS A 129 17.575 0.961 -8.390 1.00 0.62 C ATOM 1742 C LYS A 129 18.363 1.481 -7.185 1.00 0.50 C ATOM 1743 O LYS A 129 19.576 1.411 -7.154 1.00 0.40 O ATOM 1744 CB LYS A 129 17.443 2.072 -9.432 1.00 0.75 C ATOM 1745 CG LYS A 129 16.488 3.148 -8.919 1.00 1.54 C ATOM 1746 CD LYS A 129 17.059 4.528 -9.242 1.00 2.30 C ATOM 1747 CE LYS A 129 16.456 5.032 -10.554 1.00 1.74 C ATOM 1748 NZ LYS A 129 17.275 6.162 -11.074 1.00 2.63 N ATOM 0 H LYS A 129 15.472 1.196 -8.092 1.00 0.47 H new ATOM 0 HA LYS A 129 18.104 0.115 -8.828 1.00 0.62 H new ATOM 0 HB2 LYS A 129 18.420 2.508 -9.639 1.00 0.75 H new ATOM 0 HB3 LYS A 129 17.072 1.661 -10.371 1.00 0.75 H new ATOM 0 HG2 LYS A 129 15.508 3.030 -9.381 1.00 1.54 H new ATOM 0 HG3 LYS A 129 16.348 3.043 -7.843 1.00 1.54 H new ATOM 0 HD2 LYS A 129 16.835 5.225 -8.434 1.00 2.30 H new ATOM 0 HD3 LYS A 129 18.145 4.475 -9.325 1.00 2.30 H new ATOM 0 HE2 LYS A 129 16.424 4.225 -11.286 1.00 1.74 H new ATOM 0 HE3 LYS A 129 15.428 5.357 -10.393 1.00 1.74 H new ATOM 0 HZ1 LYS A 129 16.866 6.506 -11.966 1.00 2.63 H new ATOM 0 HZ2 LYS A 129 17.284 6.934 -10.377 1.00 2.63 H new ATOM 0 HZ3 LYS A 129 18.248 5.837 -11.242 1.00 2.63 H new ATOM 1762 N LYS A 130 17.694 2.004 -6.194 1.00 0.59 N ATOM 1763 CA LYS A 130 18.424 2.525 -5.004 1.00 0.54 C ATOM 1764 C LYS A 130 18.587 1.425 -3.960 1.00 0.56 C ATOM 1765 O LYS A 130 18.899 1.692 -2.817 1.00 0.59 O ATOM 1766 CB LYS A 130 17.653 3.693 -4.391 1.00 0.64 C ATOM 1767 CG LYS A 130 18.565 4.468 -3.438 1.00 0.97 C ATOM 1768 CD LYS A 130 17.912 4.556 -2.056 1.00 0.64 C ATOM 1769 CE LYS A 130 18.742 3.766 -1.040 1.00 1.22 C ATOM 1770 NZ LYS A 130 17.963 2.585 -0.569 1.00 1.11 N ATOM 0 H LYS A 130 16.679 2.093 -6.157 1.00 0.59 H new ATOM 0 HA LYS A 130 19.409 2.865 -5.323 1.00 0.54 H new ATOM 0 HB2 LYS A 130 17.288 4.353 -5.178 1.00 0.64 H new ATOM 0 HB3 LYS A 130 16.780 3.323 -3.854 1.00 0.64 H new ATOM 0 HG2 LYS A 130 19.533 3.973 -3.363 1.00 0.97 H new ATOM 0 HG3 LYS A 130 18.749 5.469 -3.828 1.00 0.97 H new ATOM 0 HD2 LYS A 130 17.835 5.598 -1.745 1.00 0.64 H new ATOM 0 HD3 LYS A 130 16.897 4.160 -2.097 1.00 0.64 H new ATOM 0 HE2 LYS A 130 19.677 3.440 -1.494 1.00 1.22 H new ATOM 0 HE3 LYS A 130 19.003 4.403 -0.195 1.00 1.22 H new ATOM 0 HZ1 LYS A 130 18.385 2.218 0.308 1.00 1.11 H new ATOM 0 HZ2 LYS A 130 16.979 2.868 -0.388 1.00 1.11 H new ATOM 0 HZ3 LYS A 130 17.981 1.844 -1.298 1.00 1.11 H new ATOM 1784 N ALA A 131 18.390 0.188 -4.331 1.00 0.56 N ATOM 1785 CA ALA A 131 18.561 -0.905 -3.336 1.00 0.60 C ATOM 1786 C ALA A 131 20.033 -1.330 -3.300 1.00 0.61 C ATOM 1787 O ALA A 131 20.346 -2.502 -3.334 1.00 0.68 O ATOM 1788 CB ALA A 131 17.692 -2.111 -3.715 1.00 0.64 C ATOM 0 H ALA A 131 18.121 -0.109 -5.269 1.00 0.56 H new ATOM 0 HA ALA A 131 18.254 -0.543 -2.355 1.00 0.60 H new ATOM 0 HB1 ALA A 131 17.827 -2.903 -2.978 1.00 0.64 H new ATOM 0 HB2 ALA A 131 16.644 -1.812 -3.738 1.00 0.64 H new ATOM 0 HB3 ALA A 131 17.986 -2.477 -4.699 1.00 0.64 H new ATOM 1794 N LYS A 132 20.948 -0.390 -3.227 1.00 0.64 N ATOM 1795 CA LYS A 132 22.392 -0.762 -3.178 1.00 0.70 C ATOM 1796 C LYS A 132 22.599 -1.780 -2.054 1.00 0.75 C ATOM 1797 O LYS A 132 21.896 -1.766 -1.064 1.00 0.69 O ATOM 1798 CB LYS A 132 23.242 0.489 -2.916 1.00 0.69 C ATOM 1799 CG LYS A 132 22.941 1.046 -1.521 1.00 1.05 C ATOM 1800 CD LYS A 132 23.330 2.525 -1.464 1.00 0.88 C ATOM 1801 CE LYS A 132 22.248 3.311 -0.720 1.00 1.66 C ATOM 1802 NZ LYS A 132 22.882 4.384 0.101 1.00 1.99 N ATOM 0 H LYS A 132 20.755 0.611 -3.200 1.00 0.64 H new ATOM 0 HA LYS A 132 22.696 -1.198 -4.130 1.00 0.70 H new ATOM 0 HB2 LYS A 132 24.301 0.243 -2.997 1.00 0.69 H new ATOM 0 HB3 LYS A 132 23.032 1.246 -3.672 1.00 0.69 H new ATOM 0 HG2 LYS A 132 21.882 0.929 -1.292 1.00 1.05 H new ATOM 0 HG3 LYS A 132 23.493 0.485 -0.767 1.00 1.05 H new ATOM 0 HD2 LYS A 132 24.289 2.640 -0.960 1.00 0.88 H new ATOM 0 HD3 LYS A 132 23.451 2.919 -2.473 1.00 0.88 H new ATOM 0 HE2 LYS A 132 21.549 3.749 -1.432 1.00 1.66 H new ATOM 0 HE3 LYS A 132 21.673 2.641 -0.080 1.00 1.66 H new ATOM 0 HZ1 LYS A 132 22.145 4.917 0.605 1.00 1.99 H new ATOM 0 HZ2 LYS A 132 23.532 3.955 0.790 1.00 1.99 H new ATOM 0 HZ3 LYS A 132 23.411 5.029 -0.520 1.00 1.99 H new ATOM 1816 N ASN A 133 23.535 -2.674 -2.201 1.00 0.91 N ATOM 1817 CA ASN A 133 23.747 -3.696 -1.137 1.00 0.98 C ATOM 1818 C ASN A 133 22.438 -4.455 -0.932 1.00 0.85 C ATOM 1819 O ASN A 133 22.054 -4.787 0.173 1.00 0.81 O ATOM 1820 CB ASN A 133 24.154 -3.009 0.168 1.00 1.04 C ATOM 1821 CG ASN A 133 25.253 -3.824 0.852 1.00 1.39 C ATOM 1822 OD1 ASN A 133 25.091 -4.264 1.973 1.00 2.60 O ATOM 1823 ND2 ASN A 133 26.372 -4.045 0.219 1.00 0.76 N ATOM 0 H ASN A 133 24.159 -2.743 -3.005 1.00 0.91 H new ATOM 0 HA ASN A 133 24.539 -4.384 -1.432 1.00 0.98 H new ATOM 0 HB2 ASN A 133 24.509 -1.999 -0.036 1.00 1.04 H new ATOM 0 HB3 ASN A 133 23.291 -2.917 0.827 1.00 1.04 H new ATOM 0 HD21 ASN A 133 27.112 -4.588 0.665 1.00 0.76 H new ATOM 0 HD22 ASN A 133 26.507 -3.675 -0.722 1.00 0.76 H new ATOM 1830 N LEU A 134 21.756 -4.721 -2.005 1.00 0.83 N ATOM 1831 CA LEU A 134 20.464 -5.451 -1.921 1.00 0.79 C ATOM 1832 C LEU A 134 20.241 -6.211 -3.229 1.00 1.00 C ATOM 1833 O LEU A 134 21.151 -6.350 -4.017 1.00 1.13 O ATOM 1834 CB LEU A 134 19.325 -4.454 -1.691 1.00 0.55 C ATOM 1835 CG LEU A 134 18.495 -4.898 -0.485 1.00 0.54 C ATOM 1836 CD1 LEU A 134 19.004 -4.191 0.773 1.00 0.59 C ATOM 1837 CD2 LEU A 134 17.028 -4.533 -0.717 1.00 0.55 C ATOM 0 H LEU A 134 22.041 -4.461 -2.949 1.00 0.83 H new ATOM 0 HA LEU A 134 20.486 -6.155 -1.090 1.00 0.79 H new ATOM 0 HB2 LEU A 134 19.730 -3.456 -1.520 1.00 0.55 H new ATOM 0 HB3 LEU A 134 18.694 -4.395 -2.578 1.00 0.55 H new ATOM 0 HG LEU A 134 18.586 -5.977 -0.357 1.00 0.54 H new ATOM 0 HD11 LEU A 134 18.413 -4.507 1.632 1.00 0.59 H new ATOM 0 HD12 LEU A 134 20.050 -4.449 0.937 1.00 0.59 H new ATOM 0 HD13 LEU A 134 18.912 -3.112 0.646 1.00 0.59 H new ATOM 0 HD21 LEU A 134 16.434 -4.848 0.141 1.00 0.55 H new ATOM 0 HD22 LEU A 134 16.937 -3.454 -0.844 1.00 0.55 H new ATOM 0 HD23 LEU A 134 16.665 -5.036 -1.614 1.00 0.55 H new ATOM 1849 N ASP A 135 19.034 -6.691 -3.447 1.00 1.11 N ATOM 1850 CA ASP A 135 18.679 -7.464 -4.693 1.00 1.37 C ATOM 1851 C ASP A 135 17.589 -8.478 -4.328 1.00 2.25 C ATOM 1852 O ASP A 135 17.798 -9.674 -4.380 1.00 3.17 O ATOM 1853 CB ASP A 135 19.894 -8.223 -5.273 1.00 2.39 C ATOM 1854 CG ASP A 135 19.446 -9.156 -6.406 1.00 2.30 C ATOM 1855 OD1 ASP A 135 19.092 -8.650 -7.457 1.00 2.36 O ATOM 1856 OD2 ASP A 135 19.467 -10.358 -6.200 1.00 2.83 O ATOM 0 H ASP A 135 18.257 -6.577 -2.796 1.00 1.11 H new ATOM 0 HA ASP A 135 18.337 -6.759 -5.451 1.00 1.37 H new ATOM 0 HB2 ASP A 135 20.631 -7.512 -5.647 1.00 2.39 H new ATOM 0 HB3 ASP A 135 20.380 -8.801 -4.487 1.00 2.39 H new ATOM 1861 N ALA A 136 16.428 -8.013 -3.970 1.00 2.31 N ATOM 1862 CA ALA A 136 15.333 -8.944 -3.621 1.00 3.48 C ATOM 1863 C ALA A 136 14.012 -8.293 -3.904 1.00 2.20 C ATOM 1864 O ALA A 136 13.171 -8.135 -3.041 1.00 2.93 O ATOM 1865 CB ALA A 136 15.390 -9.332 -2.150 1.00 5.39 C ATOM 0 H ALA A 136 16.193 -7.023 -3.905 1.00 2.31 H new ATOM 0 HA ALA A 136 15.448 -9.845 -4.224 1.00 3.48 H new ATOM 0 HB1 ALA A 136 14.573 -10.017 -1.922 1.00 5.39 H new ATOM 0 HB2 ALA A 136 16.342 -9.820 -1.939 1.00 5.39 H new ATOM 0 HB3 ALA A 136 15.296 -8.438 -1.534 1.00 5.39 H new ATOM 1871 N ILE A 137 13.825 -7.921 -5.116 1.00 0.42 N ATOM 1872 CA ILE A 137 12.559 -7.283 -5.487 1.00 1.04 C ATOM 1873 C ILE A 137 11.597 -8.341 -5.990 1.00 0.56 C ATOM 1874 O ILE A 137 11.189 -8.349 -7.135 1.00 1.52 O ATOM 1875 CB ILE A 137 12.814 -6.233 -6.555 1.00 2.48 C ATOM 1876 CG1 ILE A 137 14.156 -5.500 -6.311 1.00 3.38 C ATOM 1877 CG2 ILE A 137 11.669 -5.228 -6.524 1.00 3.50 C ATOM 1878 CD1 ILE A 137 14.349 -5.141 -4.823 1.00 1.73 C ATOM 0 H ILE A 137 14.499 -8.031 -5.874 1.00 0.42 H new ATOM 0 HA ILE A 137 12.118 -6.792 -4.619 1.00 1.04 H new ATOM 0 HB ILE A 137 12.872 -6.721 -7.528 1.00 2.48 H new ATOM 0 HG12 ILE A 137 14.981 -6.131 -6.643 1.00 3.38 H new ATOM 0 HG13 ILE A 137 14.188 -4.591 -6.912 1.00 3.38 H new ATOM 0 HG21 ILE A 137 11.834 -4.465 -7.285 1.00 3.50 H new ATOM 0 HG22 ILE A 137 10.729 -5.742 -6.723 1.00 3.50 H new ATOM 0 HG23 ILE A 137 11.624 -4.757 -5.542 1.00 3.50 H new ATOM 0 HD11 ILE A 137 15.302 -4.628 -4.693 1.00 1.73 H new ATOM 0 HD12 ILE A 137 13.539 -4.489 -4.498 1.00 1.73 H new ATOM 0 HD13 ILE A 137 14.343 -6.052 -4.225 1.00 1.73 H new ATOM 1890 N THR A 138 11.219 -9.228 -5.118 1.00 1.59 N ATOM 1891 CA THR A 138 10.266 -10.296 -5.493 1.00 2.14 C ATOM 1892 C THR A 138 9.021 -9.652 -6.100 1.00 1.64 C ATOM 1893 O THR A 138 8.696 -8.520 -5.799 1.00 1.53 O ATOM 1894 CB THR A 138 9.869 -11.051 -4.229 1.00 2.94 C ATOM 1895 OG1 THR A 138 11.031 -11.338 -3.463 1.00 2.73 O ATOM 1896 CG2 THR A 138 9.166 -12.350 -4.604 1.00 3.92 C ATOM 0 H THR A 138 11.536 -9.256 -4.149 1.00 1.59 H new ATOM 0 HA THR A 138 10.719 -10.977 -6.213 1.00 2.14 H new ATOM 0 HB THR A 138 9.190 -10.435 -3.639 1.00 2.94 H new ATOM 0 HG1 THR A 138 10.776 -11.822 -2.650 1.00 2.73 H new ATOM 0 HG21 THR A 138 8.884 -12.886 -3.698 1.00 3.92 H new ATOM 0 HG22 THR A 138 8.272 -12.125 -5.185 1.00 3.92 H new ATOM 0 HG23 THR A 138 9.838 -12.969 -5.198 1.00 3.92 H new ATOM 1904 N THR A 139 8.314 -10.350 -6.942 1.00 1.37 N ATOM 1905 CA THR A 139 7.095 -9.744 -7.536 1.00 0.91 C ATOM 1906 C THR A 139 6.265 -10.826 -8.247 1.00 0.66 C ATOM 1907 O THR A 139 6.821 -11.695 -8.889 1.00 0.77 O ATOM 1908 CB THR A 139 7.508 -8.634 -8.518 1.00 0.72 C ATOM 1909 OG1 THR A 139 6.408 -7.759 -8.725 1.00 0.40 O ATOM 1910 CG2 THR A 139 7.948 -9.222 -9.868 1.00 0.84 C ATOM 0 H THR A 139 8.525 -11.302 -7.241 1.00 1.37 H new ATOM 0 HA THR A 139 6.479 -9.307 -6.750 1.00 0.91 H new ATOM 0 HB THR A 139 8.350 -8.091 -8.089 1.00 0.72 H new ATOM 0 HG1 THR A 139 6.030 -7.498 -7.859 1.00 0.40 H new ATOM 0 HG21 THR A 139 8.234 -8.414 -10.541 1.00 0.84 H new ATOM 0 HG22 THR A 139 8.799 -9.886 -9.716 1.00 0.84 H new ATOM 0 HG23 THR A 139 7.123 -9.784 -10.306 1.00 0.84 H new ATOM 1958 N THR A 143 0.596 -11.396 -15.022 1.00 1.20 N ATOM 1959 CA THR A 143 -0.527 -12.182 -15.595 1.00 1.34 C ATOM 1960 C THR A 143 -1.330 -12.767 -14.435 1.00 1.38 C ATOM 1961 O THR A 143 -2.530 -12.940 -14.516 1.00 1.47 O ATOM 1962 CB THR A 143 0.031 -13.306 -16.469 1.00 1.41 C ATOM 1963 OG1 THR A 143 0.921 -14.105 -15.702 1.00 1.14 O ATOM 1964 CG2 THR A 143 0.779 -12.695 -17.653 1.00 1.80 C ATOM 0 HA THR A 143 -1.166 -11.549 -16.211 1.00 1.34 H new ATOM 0 HB THR A 143 -0.786 -13.928 -16.835 1.00 1.41 H new ATOM 0 HG1 THR A 143 1.325 -13.559 -14.995 1.00 1.14 H new ATOM 0 HG21 THR A 143 1.180 -13.491 -18.280 1.00 1.80 H new ATOM 0 HG22 THR A 143 0.094 -12.081 -18.238 1.00 1.80 H new ATOM 0 HG23 THR A 143 1.598 -12.076 -17.286 1.00 1.80 H new ATOM 1972 N THR A 144 -0.672 -13.044 -13.341 1.00 1.32 N ATOM 1973 CA THR A 144 -1.390 -13.586 -12.157 1.00 1.35 C ATOM 1974 C THR A 144 -2.029 -12.417 -11.412 1.00 1.25 C ATOM 1975 O THR A 144 -3.092 -12.538 -10.835 1.00 1.26 O ATOM 1976 CB THR A 144 -0.403 -14.306 -11.234 1.00 1.36 C ATOM 1977 OG1 THR A 144 0.434 -15.155 -12.006 1.00 1.42 O ATOM 1978 CG2 THR A 144 -1.175 -15.140 -10.211 1.00 1.44 C ATOM 0 H THR A 144 0.333 -12.917 -13.219 1.00 1.32 H new ATOM 0 HA THR A 144 -2.153 -14.297 -12.474 1.00 1.35 H new ATOM 0 HB THR A 144 0.209 -13.570 -10.712 1.00 1.36 H new ATOM 0 HG1 THR A 144 1.067 -15.615 -11.416 1.00 1.42 H new ATOM 0 HG21 THR A 144 -0.472 -15.652 -9.554 1.00 1.44 H new ATOM 0 HG22 THR A 144 -1.816 -14.487 -9.618 1.00 1.44 H new ATOM 0 HG23 THR A 144 -1.789 -15.876 -10.730 1.00 1.44 H new ATOM 1986 N ASN A 145 -1.394 -11.273 -11.439 1.00 1.14 N ATOM 1987 CA ASN A 145 -1.972 -10.086 -10.755 1.00 1.04 C ATOM 1988 C ASN A 145 -3.251 -9.681 -11.486 1.00 1.07 C ATOM 1989 O ASN A 145 -4.136 -9.074 -10.922 1.00 0.97 O ATOM 1990 CB ASN A 145 -0.970 -8.929 -10.784 1.00 0.96 C ATOM 1991 CG ASN A 145 -0.673 -8.482 -9.351 1.00 0.87 C ATOM 1992 OD1 ASN A 145 0.451 -8.156 -9.023 1.00 0.78 O ATOM 1993 ND2 ASN A 145 -1.642 -8.453 -8.476 1.00 0.90 N ATOM 0 H ASN A 145 -0.501 -11.113 -11.906 1.00 1.14 H new ATOM 0 HA ASN A 145 -2.196 -10.328 -9.716 1.00 1.04 H new ATOM 0 HB2 ASN A 145 -0.050 -9.242 -11.278 1.00 0.96 H new ATOM 0 HB3 ASN A 145 -1.374 -8.097 -11.360 1.00 0.96 H new ATOM 0 HD21 ASN A 145 -1.455 -8.157 -7.518 1.00 0.90 H new ATOM 0 HD22 ASN A 145 -2.586 -8.726 -8.751 1.00 0.90 H new ATOM 2000 N ALA A 146 -3.361 -10.035 -12.739 1.00 1.21 N ATOM 2001 CA ALA A 146 -4.589 -9.700 -13.506 1.00 1.29 C ATOM 2002 C ALA A 146 -5.728 -10.574 -12.992 1.00 1.36 C ATOM 2003 O ALA A 146 -6.883 -10.202 -13.039 1.00 1.40 O ATOM 2004 CB ALA A 146 -4.348 -9.983 -14.992 1.00 1.45 C ATOM 0 H ALA A 146 -2.649 -10.543 -13.263 1.00 1.21 H new ATOM 0 HA ALA A 146 -4.842 -8.647 -13.381 1.00 1.29 H new ATOM 0 HB1 ALA A 146 -5.246 -9.739 -15.559 1.00 1.45 H new ATOM 0 HB2 ALA A 146 -3.517 -9.374 -15.348 1.00 1.45 H new ATOM 0 HB3 ALA A 146 -4.109 -11.038 -15.127 1.00 1.45 H new ATOM 2010 N SER A 147 -5.407 -11.733 -12.484 1.00 1.39 N ATOM 2011 CA SER A 147 -6.468 -12.627 -11.950 1.00 1.48 C ATOM 2012 C SER A 147 -6.831 -12.172 -10.536 1.00 1.35 C ATOM 2013 O SER A 147 -7.969 -12.243 -10.125 1.00 1.33 O ATOM 2014 CB SER A 147 -5.960 -14.069 -11.913 1.00 1.62 C ATOM 2015 OG SER A 147 -6.598 -14.818 -12.938 1.00 2.45 O ATOM 0 H SER A 147 -4.457 -12.097 -12.417 1.00 1.39 H new ATOM 0 HA SER A 147 -7.348 -12.579 -12.592 1.00 1.48 H new ATOM 0 HB2 SER A 147 -4.879 -14.090 -12.051 1.00 1.62 H new ATOM 0 HB3 SER A 147 -6.166 -14.514 -10.940 1.00 1.62 H new ATOM 0 HG SER A 147 -6.273 -15.742 -12.918 1.00 2.45 H new ATOM 2021 N LEU A 148 -5.879 -11.686 -9.785 1.00 1.25 N ATOM 2022 CA LEU A 148 -6.204 -11.210 -8.413 1.00 1.14 C ATOM 2023 C LEU A 148 -7.185 -10.050 -8.551 1.00 1.02 C ATOM 2024 O LEU A 148 -8.216 -10.025 -7.924 1.00 1.04 O ATOM 2025 CB LEU A 148 -4.922 -10.737 -7.699 1.00 1.09 C ATOM 2026 CG LEU A 148 -5.265 -9.749 -6.568 1.00 1.04 C ATOM 2027 CD1 LEU A 148 -6.176 -10.423 -5.543 1.00 0.99 C ATOM 2028 CD2 LEU A 148 -3.986 -9.290 -5.883 1.00 1.08 C ATOM 0 H LEU A 148 -4.901 -11.599 -10.060 1.00 1.25 H new ATOM 0 HA LEU A 148 -6.642 -12.014 -7.822 1.00 1.14 H new ATOM 0 HB2 LEU A 148 -4.389 -11.595 -7.290 1.00 1.09 H new ATOM 0 HB3 LEU A 148 -4.255 -10.260 -8.416 1.00 1.09 H new ATOM 0 HG LEU A 148 -5.780 -8.888 -6.994 1.00 1.04 H new ATOM 0 HD11 LEU A 148 -6.413 -9.717 -4.747 1.00 0.99 H new ATOM 0 HD12 LEU A 148 -7.097 -10.744 -6.030 1.00 0.99 H new ATOM 0 HD13 LEU A 148 -5.669 -11.290 -5.120 1.00 0.99 H new ATOM 0 HD21 LEU A 148 -4.232 -8.591 -5.083 1.00 1.08 H new ATOM 0 HD22 LEU A 148 -3.468 -10.153 -5.464 1.00 1.08 H new ATOM 0 HD23 LEU A 148 -3.341 -8.797 -6.610 1.00 1.08 H new ATOM 2040 N LEU A 149 -6.843 -9.093 -9.370 1.00 0.92 N ATOM 2041 CA LEU A 149 -7.718 -7.908 -9.583 1.00 0.84 C ATOM 2042 C LEU A 149 -9.070 -8.371 -10.111 1.00 0.89 C ATOM 2043 O LEU A 149 -10.103 -7.949 -9.640 1.00 0.66 O ATOM 2044 CB LEU A 149 -7.053 -6.992 -10.610 1.00 0.83 C ATOM 2045 CG LEU A 149 -7.769 -5.645 -10.660 1.00 0.74 C ATOM 2046 CD1 LEU A 149 -7.785 -5.019 -9.263 1.00 0.53 C ATOM 2047 CD2 LEU A 149 -7.024 -4.721 -11.625 1.00 0.78 C ATOM 0 H LEU A 149 -5.978 -9.084 -9.910 1.00 0.92 H new ATOM 0 HA LEU A 149 -7.863 -7.372 -8.645 1.00 0.84 H new ATOM 0 HB2 LEU A 149 -6.004 -6.845 -10.351 1.00 0.83 H new ATOM 0 HB3 LEU A 149 -7.076 -7.460 -11.594 1.00 0.83 H new ATOM 0 HG LEU A 149 -8.795 -5.786 -11.001 1.00 0.74 H new ATOM 0 HD11 LEU A 149 -8.297 -4.057 -9.301 1.00 0.53 H new ATOM 0 HD12 LEU A 149 -8.308 -5.681 -8.573 1.00 0.53 H new ATOM 0 HD13 LEU A 149 -6.761 -4.872 -8.918 1.00 0.53 H new ATOM 0 HD21 LEU A 149 -7.529 -3.756 -11.667 1.00 0.78 H new ATOM 0 HD22 LEU A 149 -6.001 -4.580 -11.277 1.00 0.78 H new ATOM 0 HD23 LEU A 149 -7.011 -5.167 -12.619 1.00 0.78 H new ATOM 2059 N THR A 150 -9.077 -9.247 -11.077 1.00 1.21 N ATOM 2060 CA THR A 150 -10.376 -9.739 -11.608 1.00 1.29 C ATOM 2061 C THR A 150 -11.175 -10.346 -10.441 1.00 1.29 C ATOM 2062 O THR A 150 -12.388 -10.400 -10.457 1.00 1.33 O ATOM 2063 CB THR A 150 -10.107 -10.766 -12.738 1.00 1.41 C ATOM 2064 OG1 THR A 150 -11.144 -10.678 -13.704 1.00 1.50 O ATOM 2065 CG2 THR A 150 -10.037 -12.206 -12.208 1.00 1.16 C ATOM 0 H THR A 150 -8.246 -9.640 -11.518 1.00 1.21 H new ATOM 0 HA THR A 150 -10.965 -8.929 -12.039 1.00 1.29 H new ATOM 0 HB THR A 150 -9.141 -10.526 -13.181 1.00 1.41 H new ATOM 0 HG1 THR A 150 -10.978 -11.324 -14.422 1.00 1.50 H new ATOM 0 HG21 THR A 150 -9.847 -12.889 -13.036 1.00 1.16 H new ATOM 0 HG22 THR A 150 -9.231 -12.286 -11.479 1.00 1.16 H new ATOM 0 HG23 THR A 150 -10.983 -12.465 -11.733 1.00 1.16 H new ATOM 2073 N LYS A 151 -10.477 -10.798 -9.428 1.00 1.25 N ATOM 2074 CA LYS A 151 -11.147 -11.403 -8.243 1.00 1.25 C ATOM 2075 C LYS A 151 -11.558 -10.308 -7.242 1.00 1.07 C ATOM 2076 O LYS A 151 -12.528 -10.458 -6.526 1.00 0.92 O ATOM 2077 CB LYS A 151 -10.176 -12.377 -7.566 1.00 1.34 C ATOM 2078 CG LYS A 151 -10.853 -13.034 -6.361 1.00 1.28 C ATOM 2079 CD LYS A 151 -9.814 -13.282 -5.264 1.00 1.29 C ATOM 2080 CE LYS A 151 -10.109 -12.375 -4.067 1.00 1.11 C ATOM 2081 NZ LYS A 151 -9.782 -13.098 -2.805 1.00 0.79 N ATOM 0 H LYS A 151 -9.459 -10.771 -9.375 1.00 1.25 H new ATOM 0 HA LYS A 151 -12.043 -11.932 -8.568 1.00 1.25 H new ATOM 0 HB2 LYS A 151 -9.858 -13.140 -8.276 1.00 1.34 H new ATOM 0 HB3 LYS A 151 -9.279 -11.847 -7.246 1.00 1.34 H new ATOM 0 HG2 LYS A 151 -11.650 -12.393 -5.984 1.00 1.28 H new ATOM 0 HG3 LYS A 151 -11.315 -13.975 -6.659 1.00 1.28 H new ATOM 0 HD2 LYS A 151 -9.837 -14.327 -4.956 1.00 1.29 H new ATOM 0 HD3 LYS A 151 -8.812 -13.084 -5.646 1.00 1.29 H new ATOM 0 HE2 LYS A 151 -9.522 -11.459 -4.137 1.00 1.11 H new ATOM 0 HE3 LYS A 151 -11.159 -12.081 -4.069 1.00 1.11 H new ATOM 0 HZ1 LYS A 151 -9.752 -12.422 -2.015 1.00 0.79 H new ATOM 0 HZ2 LYS A 151 -10.510 -13.817 -2.618 1.00 0.79 H new ATOM 0 HZ3 LYS A 151 -8.855 -13.560 -2.900 1.00 0.79 H new ATOM 2095 N LEU A 152 -10.846 -9.205 -7.182 1.00 1.08 N ATOM 2096 CA LEU A 152 -11.239 -8.134 -6.227 1.00 0.91 C ATOM 2097 C LEU A 152 -12.556 -7.542 -6.703 1.00 0.73 C ATOM 2098 O LEU A 152 -13.476 -7.332 -5.939 1.00 0.52 O ATOM 2099 CB LEU A 152 -10.187 -7.017 -6.207 1.00 0.98 C ATOM 2100 CG LEU A 152 -8.775 -7.595 -6.105 1.00 0.94 C ATOM 2101 CD1 LEU A 152 -7.775 -6.449 -5.946 1.00 0.62 C ATOM 2102 CD2 LEU A 152 -8.677 -8.519 -4.892 1.00 0.98 C ATOM 0 H LEU A 152 -10.021 -9.007 -7.748 1.00 1.08 H new ATOM 0 HA LEU A 152 -11.328 -8.556 -5.226 1.00 0.91 H new ATOM 0 HB2 LEU A 152 -10.273 -6.416 -7.112 1.00 0.98 H new ATOM 0 HB3 LEU A 152 -10.373 -6.352 -5.364 1.00 0.98 H new ATOM 0 HG LEU A 152 -8.552 -8.163 -7.008 1.00 0.94 H new ATOM 0 HD11 LEU A 152 -6.766 -6.854 -5.873 1.00 0.62 H new ATOM 0 HD12 LEU A 152 -7.839 -5.788 -6.810 1.00 0.62 H new ATOM 0 HD13 LEU A 152 -8.007 -5.887 -5.041 1.00 0.62 H new ATOM 0 HD21 LEU A 152 -7.668 -8.927 -4.826 1.00 0.98 H new ATOM 0 HD22 LEU A 152 -8.901 -7.955 -3.986 1.00 0.98 H new ATOM 0 HD23 LEU A 152 -9.392 -9.335 -4.997 1.00 0.98 H new ATOM 2114 N GLN A 153 -12.638 -7.264 -7.972 1.00 0.87 N ATOM 2115 CA GLN A 153 -13.876 -6.672 -8.525 1.00 0.83 C ATOM 2116 C GLN A 153 -14.917 -7.765 -8.797 1.00 0.90 C ATOM 2117 O GLN A 153 -16.056 -7.478 -9.107 1.00 0.95 O ATOM 2118 CB GLN A 153 -13.540 -5.938 -9.825 1.00 1.12 C ATOM 2119 CG GLN A 153 -13.191 -4.481 -9.512 1.00 1.20 C ATOM 2120 CD GLN A 153 -14.117 -3.550 -10.298 1.00 1.57 C ATOM 2121 OE1 GLN A 153 -15.215 -3.262 -9.867 1.00 2.22 O ATOM 2122 NE2 GLN A 153 -13.717 -3.064 -11.442 1.00 1.42 N ATOM 0 H GLN A 153 -11.894 -7.424 -8.651 1.00 0.87 H new ATOM 0 HA GLN A 153 -14.294 -5.971 -7.802 1.00 0.83 H new ATOM 0 HB2 GLN A 153 -12.702 -6.425 -10.324 1.00 1.12 H new ATOM 0 HB3 GLN A 153 -14.387 -5.981 -10.509 1.00 1.12 H new ATOM 0 HG2 GLN A 153 -13.293 -4.294 -8.443 1.00 1.20 H new ATOM 0 HG3 GLN A 153 -12.152 -4.282 -9.773 1.00 1.20 H new ATOM 0 HE21 GLN A 153 -12.795 -3.306 -11.804 1.00 1.42 H new ATOM 0 HE22 GLN A 153 -14.327 -2.443 -11.973 1.00 1.42 H new ATOM 2131 N ALA A 154 -14.544 -9.012 -8.687 1.00 0.92 N ATOM 2132 CA ALA A 154 -15.525 -10.105 -8.946 1.00 1.02 C ATOM 2133 C ALA A 154 -16.121 -10.587 -7.621 1.00 0.83 C ATOM 2134 O ALA A 154 -16.346 -11.764 -7.423 1.00 0.90 O ATOM 2135 CB ALA A 154 -14.818 -11.273 -9.636 1.00 1.38 C ATOM 0 H ALA A 154 -13.606 -9.320 -8.430 1.00 0.92 H new ATOM 0 HA ALA A 154 -16.322 -9.728 -9.587 1.00 1.02 H new ATOM 0 HB1 ALA A 154 -15.535 -12.072 -9.825 1.00 1.38 H new ATOM 0 HB2 ALA A 154 -14.394 -10.934 -10.581 1.00 1.38 H new ATOM 0 HB3 ALA A 154 -14.020 -11.646 -8.994 1.00 1.38 H new ATOM 2141 N GLN A 155 -16.380 -9.686 -6.712 1.00 0.88 N ATOM 2142 CA GLN A 155 -16.963 -10.097 -5.403 1.00 0.74 C ATOM 2143 C GLN A 155 -18.290 -9.364 -5.187 1.00 0.46 C ATOM 2144 O GLN A 155 -18.629 -8.452 -5.912 1.00 0.48 O ATOM 2145 CB GLN A 155 -15.996 -9.741 -4.267 1.00 0.68 C ATOM 2146 CG GLN A 155 -14.560 -10.081 -4.678 1.00 1.02 C ATOM 2147 CD GLN A 155 -14.408 -11.599 -4.795 1.00 2.30 C ATOM 2148 OE1 GLN A 155 -14.502 -12.149 -5.874 1.00 3.47 O ATOM 2149 NE2 GLN A 155 -14.178 -12.305 -3.720 1.00 2.42 N ATOM 0 H GLN A 155 -16.213 -8.685 -6.819 1.00 0.88 H new ATOM 0 HA GLN A 155 -17.132 -11.174 -5.407 1.00 0.74 H new ATOM 0 HB2 GLN A 155 -16.074 -8.680 -4.031 1.00 0.68 H new ATOM 0 HB3 GLN A 155 -16.264 -10.289 -3.364 1.00 0.68 H new ATOM 0 HG2 GLN A 155 -14.321 -9.607 -5.630 1.00 1.02 H new ATOM 0 HG3 GLN A 155 -13.858 -9.690 -3.942 1.00 1.02 H new ATOM 0 HE21 GLN A 155 -14.099 -11.843 -2.814 1.00 2.42 H new ATOM 0 HE22 GLN A 155 -14.077 -13.318 -3.787 1.00 2.42 H new ATOM 2158 N ASN A 156 -19.041 -9.755 -4.194 1.00 0.34 N ATOM 2159 CA ASN A 156 -20.343 -9.079 -3.932 1.00 0.05 C ATOM 2160 C ASN A 156 -20.088 -7.620 -3.558 1.00 0.14 C ATOM 2161 O ASN A 156 -18.965 -7.169 -3.532 1.00 0.40 O ATOM 2162 CB ASN A 156 -21.056 -9.780 -2.773 1.00 0.17 C ATOM 2163 CG ASN A 156 -22.230 -10.598 -3.310 1.00 0.74 C ATOM 2164 OD1 ASN A 156 -23.241 -10.048 -3.701 1.00 1.45 O ATOM 2165 ND2 ASN A 156 -22.142 -11.900 -3.346 1.00 1.14 N ATOM 0 H ASN A 156 -18.809 -10.514 -3.553 1.00 0.34 H new ATOM 0 HA ASN A 156 -20.965 -9.126 -4.826 1.00 0.05 H new ATOM 0 HB2 ASN A 156 -20.359 -10.430 -2.244 1.00 0.17 H new ATOM 0 HB3 ASN A 156 -21.413 -9.043 -2.054 1.00 0.17 H new ATOM 0 HD21 ASN A 156 -22.921 -12.454 -3.702 1.00 1.14 H new ATOM 0 HD22 ASN A 156 -21.294 -12.363 -3.018 1.00 1.14 H new ATOM 2172 N GLN A 157 -21.120 -6.883 -3.255 1.00 0.61 N ATOM 2173 CA GLN A 157 -20.923 -5.461 -2.864 1.00 0.78 C ATOM 2174 C GLN A 157 -20.228 -5.426 -1.502 1.00 0.79 C ATOM 2175 O GLN A 157 -19.508 -4.504 -1.175 1.00 0.85 O ATOM 2176 CB GLN A 157 -22.283 -4.768 -2.760 1.00 1.10 C ATOM 2177 CG GLN A 157 -22.080 -3.284 -2.460 1.00 1.42 C ATOM 2178 CD GLN A 157 -23.247 -2.480 -3.036 1.00 1.94 C ATOM 2179 OE1 GLN A 157 -23.951 -2.950 -3.908 1.00 1.68 O ATOM 2180 NE2 GLN A 157 -23.485 -1.280 -2.581 1.00 2.92 N ATOM 0 H GLN A 157 -22.088 -7.203 -3.261 1.00 0.61 H new ATOM 0 HA GLN A 157 -20.316 -4.947 -3.609 1.00 0.78 H new ATOM 0 HB2 GLN A 157 -22.836 -4.889 -3.691 1.00 1.10 H new ATOM 0 HB3 GLN A 157 -22.879 -5.230 -1.973 1.00 1.10 H new ATOM 0 HG2 GLN A 157 -22.013 -3.126 -1.384 1.00 1.42 H new ATOM 0 HG3 GLN A 157 -21.140 -2.940 -2.892 1.00 1.42 H new ATOM 0 HE21 GLN A 157 -22.894 -0.886 -1.849 1.00 2.92 H new ATOM 0 HE22 GLN A 157 -24.262 -0.737 -2.957 1.00 2.92 H new ATOM 2189 N TRP A 158 -20.450 -6.438 -0.708 1.00 0.85 N ATOM 2190 CA TRP A 158 -19.824 -6.504 0.642 1.00 1.09 C ATOM 2191 C TRP A 158 -18.320 -6.765 0.505 1.00 1.04 C ATOM 2192 O TRP A 158 -17.503 -6.006 0.981 1.00 1.23 O ATOM 2193 CB TRP A 158 -20.471 -7.655 1.420 1.00 1.19 C ATOM 2194 CG TRP A 158 -20.053 -7.615 2.859 1.00 1.37 C ATOM 2195 CD1 TRP A 158 -18.774 -7.655 3.304 1.00 1.33 C ATOM 2196 CD2 TRP A 158 -20.896 -7.541 4.049 1.00 1.73 C ATOM 2197 NE1 TRP A 158 -18.779 -7.605 4.687 1.00 1.53 N ATOM 2198 CE2 TRP A 158 -20.061 -7.535 5.192 1.00 1.78 C ATOM 2199 CE3 TRP A 158 -22.287 -7.478 4.244 1.00 2.09 C ATOM 2200 CZ2 TRP A 158 -20.589 -7.469 6.484 1.00 2.12 C ATOM 2201 CZ3 TRP A 158 -22.821 -7.411 5.542 1.00 2.48 C ATOM 2202 CH2 TRP A 158 -21.974 -7.409 6.658 1.00 2.47 C ATOM 0 H TRP A 158 -21.047 -7.232 -0.941 1.00 0.85 H new ATOM 0 HA TRP A 158 -19.973 -5.561 1.167 1.00 1.09 H new ATOM 0 HB2 TRP A 158 -21.556 -7.586 1.348 1.00 1.19 H new ATOM 0 HB3 TRP A 158 -20.183 -8.608 0.978 1.00 1.19 H new ATOM 0 HD1 TRP A 158 -17.894 -7.716 2.681 1.00 1.33 H new ATOM 0 HE1 TRP A 158 -17.937 -7.618 5.263 1.00 1.53 H new ATOM 0 HE3 TRP A 158 -22.949 -7.481 3.391 1.00 2.09 H new ATOM 0 HZ2 TRP A 158 -19.932 -7.464 7.341 1.00 2.12 H new ATOM 0 HZ3 TRP A 158 -23.891 -7.361 5.680 1.00 2.48 H new ATOM 0 HH2 TRP A 158 -22.392 -7.361 7.653 1.00 2.47 H new ATOM 2213 N LEU A 159 -17.955 -7.846 -0.127 1.00 0.89 N ATOM 2214 CA LEU A 159 -16.508 -8.178 -0.284 1.00 1.01 C ATOM 2215 C LEU A 159 -15.773 -7.053 -1.018 1.00 0.76 C ATOM 2216 O LEU A 159 -14.735 -6.591 -0.583 1.00 0.52 O ATOM 2217 CB LEU A 159 -16.376 -9.472 -1.088 1.00 1.08 C ATOM 2218 CG LEU A 159 -16.618 -10.674 -0.172 1.00 1.42 C ATOM 2219 CD1 LEU A 159 -17.962 -11.317 -0.519 1.00 1.37 C ATOM 2220 CD2 LEU A 159 -15.498 -11.697 -0.371 1.00 2.78 C ATOM 0 H LEU A 159 -18.599 -8.518 -0.544 1.00 0.89 H new ATOM 0 HA LEU A 159 -16.065 -8.300 0.705 1.00 1.01 H new ATOM 0 HB2 LEU A 159 -17.094 -9.477 -1.908 1.00 1.08 H new ATOM 0 HB3 LEU A 159 -15.383 -9.536 -1.533 1.00 1.08 H new ATOM 0 HG LEU A 159 -16.631 -10.344 0.867 1.00 1.42 H new ATOM 0 HD11 LEU A 159 -18.135 -12.173 0.133 1.00 1.37 H new ATOM 0 HD12 LEU A 159 -18.761 -10.588 -0.380 1.00 1.37 H new ATOM 0 HD13 LEU A 159 -17.949 -11.648 -1.557 1.00 1.37 H new ATOM 0 HD21 LEU A 159 -15.668 -12.554 0.280 1.00 2.78 H new ATOM 0 HD22 LEU A 159 -15.487 -12.027 -1.410 1.00 2.78 H new ATOM 0 HD23 LEU A 159 -14.540 -11.240 -0.126 1.00 2.78 H new ATOM 2232 N GLN A 160 -16.288 -6.616 -2.134 1.00 0.89 N ATOM 2233 CA GLN A 160 -15.606 -5.534 -2.896 1.00 0.69 C ATOM 2234 C GLN A 160 -15.538 -4.270 -2.034 1.00 0.65 C ATOM 2235 O GLN A 160 -14.636 -3.467 -2.160 1.00 0.41 O ATOM 2236 CB GLN A 160 -16.378 -5.253 -4.198 1.00 0.72 C ATOM 2237 CG GLN A 160 -17.692 -4.524 -3.901 1.00 1.60 C ATOM 2238 CD GLN A 160 -18.445 -4.283 -5.209 1.00 1.75 C ATOM 2239 OE1 GLN A 160 -18.218 -4.969 -6.187 1.00 1.45 O ATOM 2240 NE2 GLN A 160 -19.337 -3.334 -5.272 1.00 2.72 N ATOM 0 H GLN A 160 -17.152 -6.962 -2.551 1.00 0.89 H new ATOM 0 HA GLN A 160 -14.593 -5.845 -3.150 1.00 0.69 H new ATOM 0 HB2 GLN A 160 -15.765 -4.650 -4.867 1.00 0.72 H new ATOM 0 HB3 GLN A 160 -16.585 -6.191 -4.714 1.00 0.72 H new ATOM 0 HG2 GLN A 160 -18.303 -5.116 -3.220 1.00 1.60 H new ATOM 0 HG3 GLN A 160 -17.490 -3.575 -3.404 1.00 1.60 H new ATOM 0 HE21 GLN A 160 -19.528 -2.758 -4.452 1.00 2.72 H new ATOM 0 HE22 GLN A 160 -19.844 -3.167 -6.141 1.00 2.72 H new ATOM 2249 N ASP A 161 -16.488 -4.094 -1.161 1.00 0.96 N ATOM 2250 CA ASP A 161 -16.487 -2.889 -0.287 1.00 1.06 C ATOM 2251 C ASP A 161 -15.282 -2.941 0.652 1.00 0.91 C ATOM 2252 O ASP A 161 -14.412 -2.091 0.614 1.00 0.95 O ATOM 2253 CB ASP A 161 -17.775 -2.872 0.539 1.00 1.55 C ATOM 2254 CG ASP A 161 -17.759 -1.680 1.504 1.00 1.98 C ATOM 2255 OD1 ASP A 161 -16.829 -0.892 1.429 1.00 1.84 O ATOM 2256 OD2 ASP A 161 -18.676 -1.577 2.302 1.00 2.54 O ATOM 0 H ASP A 161 -17.268 -4.735 -1.014 1.00 0.96 H new ATOM 0 HA ASP A 161 -16.429 -1.989 -0.900 1.00 1.06 H new ATOM 0 HB2 ASP A 161 -18.640 -2.806 -0.121 1.00 1.55 H new ATOM 0 HB3 ASP A 161 -17.871 -3.803 1.098 1.00 1.55 H new ATOM 2261 N MET A 162 -15.227 -3.929 1.499 1.00 0.89 N ATOM 2262 CA MET A 162 -14.085 -4.039 2.448 1.00 0.79 C ATOM 2263 C MET A 162 -12.765 -3.984 1.672 1.00 0.59 C ATOM 2264 O MET A 162 -11.766 -3.507 2.170 1.00 0.58 O ATOM 2265 CB MET A 162 -14.182 -5.366 3.203 1.00 0.99 C ATOM 2266 CG MET A 162 -13.012 -5.484 4.182 1.00 1.41 C ATOM 2267 SD MET A 162 -11.911 -6.822 3.660 1.00 1.19 S ATOM 2268 CE MET A 162 -10.623 -5.781 2.934 1.00 0.64 C ATOM 0 H MET A 162 -15.926 -4.668 1.576 1.00 0.89 H new ATOM 0 HA MET A 162 -14.119 -3.212 3.158 1.00 0.79 H new ATOM 0 HB2 MET A 162 -15.128 -5.421 3.742 1.00 0.99 H new ATOM 0 HB3 MET A 162 -14.167 -6.199 2.500 1.00 0.99 H new ATOM 0 HG2 MET A 162 -12.463 -4.543 4.222 1.00 1.41 H new ATOM 0 HG3 MET A 162 -13.385 -5.679 5.188 1.00 1.41 H new ATOM 0 HE1 MET A 162 -9.646 -6.227 3.122 1.00 0.64 H new ATOM 0 HE2 MET A 162 -10.784 -5.699 1.859 1.00 0.64 H new ATOM 0 HE3 MET A 162 -10.661 -4.789 3.383 1.00 0.64 H new ATOM 2278 N THR A 163 -12.758 -4.467 0.454 1.00 0.46 N ATOM 2279 CA THR A 163 -11.504 -4.447 -0.365 1.00 0.30 C ATOM 2280 C THR A 163 -10.842 -3.069 -0.279 1.00 0.27 C ATOM 2281 O THR A 163 -9.728 -2.932 0.187 1.00 0.26 O ATOM 2282 CB THR A 163 -11.846 -4.754 -1.826 1.00 0.14 C ATOM 2283 OG1 THR A 163 -12.819 -5.788 -1.875 1.00 0.37 O ATOM 2284 CG2 THR A 163 -10.584 -5.201 -2.564 1.00 0.46 C ATOM 0 H THR A 163 -13.569 -4.876 -0.011 1.00 0.46 H new ATOM 0 HA THR A 163 -10.815 -5.199 0.020 1.00 0.30 H new ATOM 0 HB THR A 163 -12.244 -3.858 -2.303 1.00 0.14 H new ATOM 0 HG1 THR A 163 -13.027 -6.084 -0.964 1.00 0.37 H new ATOM 0 HG21 THR A 163 -10.828 -5.419 -3.604 1.00 0.46 H new ATOM 0 HG22 THR A 163 -9.839 -4.406 -2.526 1.00 0.46 H new ATOM 0 HG23 THR A 163 -10.183 -6.097 -2.090 1.00 0.46 H new ATOM 2292 N THR A 164 -11.522 -2.043 -0.714 1.00 0.25 N ATOM 2293 CA THR A 164 -10.937 -0.672 -0.648 1.00 0.23 C ATOM 2294 C THR A 164 -10.442 -0.402 0.779 1.00 0.37 C ATOM 2295 O THR A 164 -9.321 0.007 0.991 1.00 0.61 O ATOM 2296 CB THR A 164 -12.018 0.351 -1.026 1.00 0.34 C ATOM 2297 OG1 THR A 164 -12.395 0.157 -2.383 1.00 0.82 O ATOM 2298 CG2 THR A 164 -11.480 1.771 -0.846 1.00 0.97 C ATOM 0 H THR A 164 -12.459 -2.095 -1.113 1.00 0.25 H new ATOM 0 HA THR A 164 -10.099 -0.589 -1.341 1.00 0.23 H new ATOM 0 HB THR A 164 -12.884 0.213 -0.379 1.00 0.34 H new ATOM 0 HG1 THR A 164 -13.086 0.808 -2.627 1.00 0.82 H new ATOM 0 HG21 THR A 164 -12.253 2.490 -1.116 1.00 0.97 H new ATOM 0 HG22 THR A 164 -11.192 1.922 0.194 1.00 0.97 H new ATOM 0 HG23 THR A 164 -10.611 1.915 -1.488 1.00 0.97 H new ATOM 2306 N HIS A 165 -11.282 -0.628 1.751 1.00 0.25 N ATOM 2307 CA HIS A 165 -10.897 -0.392 3.177 1.00 0.40 C ATOM 2308 C HIS A 165 -9.492 -0.940 3.480 1.00 0.39 C ATOM 2309 O HIS A 165 -8.556 -0.188 3.664 1.00 0.40 O ATOM 2310 CB HIS A 165 -11.922 -1.084 4.085 1.00 0.61 C ATOM 2311 CG HIS A 165 -11.536 -0.905 5.529 1.00 0.67 C ATOM 2312 ND1 HIS A 165 -10.916 -1.910 6.251 1.00 1.05 N ATOM 2313 CD2 HIS A 165 -11.676 0.150 6.396 1.00 0.56 C ATOM 2314 CE1 HIS A 165 -10.706 -1.446 7.495 1.00 1.07 C ATOM 2315 NE2 HIS A 165 -11.149 -0.195 7.639 1.00 0.73 N ATOM 0 H HIS A 165 -12.233 -0.971 1.618 1.00 0.25 H new ATOM 0 HA HIS A 165 -10.884 0.682 3.360 1.00 0.40 H new ATOM 0 HB2 HIS A 165 -12.914 -0.667 3.911 1.00 0.61 H new ATOM 0 HB3 HIS A 165 -11.976 -2.146 3.843 1.00 0.61 H new ATOM 0 HD2 HIS A 165 -12.126 1.101 6.152 1.00 0.56 H new ATOM 0 HE1 HIS A 165 -10.236 -2.016 8.283 1.00 1.07 H new ATOM 0 HE2 HIS A 165 -11.110 0.384 8.478 1.00 0.73 H new ATOM 2323 N LEU A 166 -9.344 -2.235 3.572 1.00 0.44 N ATOM 2324 CA LEU A 166 -8.006 -2.818 3.908 1.00 0.49 C ATOM 2325 C LEU A 166 -6.895 -2.190 3.059 1.00 0.39 C ATOM 2326 O LEU A 166 -5.789 -2.014 3.527 1.00 0.45 O ATOM 2327 CB LEU A 166 -8.024 -4.332 3.685 1.00 0.59 C ATOM 2328 CG LEU A 166 -6.721 -4.941 4.211 1.00 1.32 C ATOM 2329 CD1 LEU A 166 -6.998 -5.681 5.522 1.00 0.83 C ATOM 2330 CD2 LEU A 166 -6.165 -5.928 3.181 1.00 3.00 C ATOM 0 H LEU A 166 -10.090 -2.916 3.430 1.00 0.44 H new ATOM 0 HA LEU A 166 -7.801 -2.602 4.957 1.00 0.49 H new ATOM 0 HB2 LEU A 166 -8.878 -4.776 4.197 1.00 0.59 H new ATOM 0 HB3 LEU A 166 -8.139 -4.553 2.624 1.00 0.59 H new ATOM 0 HG LEU A 166 -5.994 -4.147 4.385 1.00 1.32 H new ATOM 0 HD11 LEU A 166 -6.071 -6.115 5.898 1.00 0.83 H new ATOM 0 HD12 LEU A 166 -7.395 -4.982 6.258 1.00 0.83 H new ATOM 0 HD13 LEU A 166 -7.725 -6.474 5.346 1.00 0.83 H new ATOM 0 HD21 LEU A 166 -5.238 -6.361 3.556 1.00 3.00 H new ATOM 0 HD22 LEU A 166 -6.892 -6.721 3.008 1.00 3.00 H new ATOM 0 HD23 LEU A 166 -5.969 -5.405 2.245 1.00 3.00 H new ATOM 2342 N ILE A 167 -7.157 -1.853 1.823 1.00 0.27 N ATOM 2343 CA ILE A 167 -6.076 -1.246 0.991 1.00 0.27 C ATOM 2344 C ILE A 167 -5.611 0.054 1.648 1.00 0.23 C ATOM 2345 O ILE A 167 -4.441 0.256 1.880 1.00 0.31 O ATOM 2346 CB ILE A 167 -6.586 -0.952 -0.422 1.00 0.24 C ATOM 2347 CG1 ILE A 167 -6.966 -2.269 -1.101 1.00 0.27 C ATOM 2348 CG2 ILE A 167 -5.482 -0.255 -1.235 1.00 0.36 C ATOM 2349 CD1 ILE A 167 -7.792 -1.980 -2.355 1.00 0.28 C ATOM 0 H ILE A 167 -8.058 -1.969 1.359 1.00 0.27 H new ATOM 0 HA ILE A 167 -5.245 -1.948 0.921 1.00 0.27 H new ATOM 0 HB ILE A 167 -7.458 -0.300 -0.368 1.00 0.24 H new ATOM 0 HG12 ILE A 167 -6.067 -2.826 -1.366 1.00 0.27 H new ATOM 0 HG13 ILE A 167 -7.537 -2.893 -0.413 1.00 0.27 H new ATOM 0 HG21 ILE A 167 -5.847 -0.047 -2.241 1.00 0.36 H new ATOM 0 HG22 ILE A 167 -5.207 0.680 -0.748 1.00 0.36 H new ATOM 0 HG23 ILE A 167 -4.608 -0.904 -1.294 1.00 0.36 H new ATOM 0 HD11 ILE A 167 -8.062 -2.919 -2.837 1.00 0.28 H new ATOM 0 HD12 ILE A 167 -8.698 -1.441 -2.078 1.00 0.28 H new ATOM 0 HD13 ILE A 167 -7.206 -1.373 -3.045 1.00 0.28 H new ATOM 2361 N LEU A 168 -6.522 0.936 1.952 1.00 0.12 N ATOM 2362 CA LEU A 168 -6.127 2.219 2.597 1.00 0.09 C ATOM 2363 C LEU A 168 -5.681 1.953 4.040 1.00 0.06 C ATOM 2364 O LEU A 168 -5.086 2.800 4.677 1.00 0.12 O ATOM 2365 CB LEU A 168 -7.319 3.184 2.595 1.00 0.09 C ATOM 2366 CG LEU A 168 -7.990 3.188 1.215 1.00 0.18 C ATOM 2367 CD1 LEU A 168 -9.086 4.254 1.183 1.00 0.76 C ATOM 2368 CD2 LEU A 168 -6.951 3.500 0.133 1.00 1.08 C ATOM 0 H LEU A 168 -7.521 0.824 1.782 1.00 0.12 H new ATOM 0 HA LEU A 168 -5.302 2.664 2.041 1.00 0.09 H new ATOM 0 HB2 LEU A 168 -8.039 2.887 3.358 1.00 0.09 H new ATOM 0 HB3 LEU A 168 -6.983 4.190 2.848 1.00 0.09 H new ATOM 0 HG LEU A 168 -8.426 2.207 1.027 1.00 0.18 H new ATOM 0 HD11 LEU A 168 -9.562 4.257 0.203 1.00 0.76 H new ATOM 0 HD12 LEU A 168 -9.831 4.033 1.948 1.00 0.76 H new ATOM 0 HD13 LEU A 168 -8.647 5.233 1.376 1.00 0.76 H new ATOM 0 HD21 LEU A 168 -7.433 3.501 -0.845 1.00 1.08 H new ATOM 0 HD22 LEU A 168 -6.511 4.479 0.322 1.00 1.08 H new ATOM 0 HD23 LEU A 168 -6.168 2.741 0.151 1.00 1.08 H new ATOM 2380 N ARG A 169 -5.957 0.786 4.560 1.00 0.15 N ATOM 2381 CA ARG A 169 -5.541 0.476 5.956 1.00 0.15 C ATOM 2382 C ARG A 169 -4.061 0.089 5.968 1.00 0.17 C ATOM 2383 O ARG A 169 -3.343 0.372 6.911 1.00 0.14 O ATOM 2384 CB ARG A 169 -6.379 -0.686 6.496 1.00 0.23 C ATOM 2385 CG ARG A 169 -6.257 -0.733 8.019 1.00 0.55 C ATOM 2386 CD ARG A 169 -7.315 0.177 8.645 1.00 1.35 C ATOM 2387 NE ARG A 169 -8.045 -0.571 9.706 1.00 1.44 N ATOM 2388 CZ ARG A 169 -8.173 -0.056 10.899 1.00 1.94 C ATOM 2389 NH1 ARG A 169 -8.464 1.209 11.036 1.00 3.28 N ATOM 2390 NH2 ARG A 169 -8.014 -0.808 11.953 1.00 1.44 N ATOM 0 H ARG A 169 -6.452 0.036 4.078 1.00 0.15 H new ATOM 0 HA ARG A 169 -5.695 1.353 6.585 1.00 0.15 H new ATOM 0 HB2 ARG A 169 -7.423 -0.562 6.207 1.00 0.23 H new ATOM 0 HB3 ARG A 169 -6.038 -1.627 6.063 1.00 0.23 H new ATOM 0 HG2 ARG A 169 -6.386 -1.756 8.373 1.00 0.55 H new ATOM 0 HG3 ARG A 169 -5.261 -0.413 8.324 1.00 0.55 H new ATOM 0 HD2 ARG A 169 -6.843 1.064 9.069 1.00 1.35 H new ATOM 0 HD3 ARG A 169 -8.013 0.521 7.881 1.00 1.35 H new ATOM 0 HE ARG A 169 -8.445 -1.486 9.501 1.00 1.44 H new ATOM 0 HH11 ARG A 169 -8.591 1.795 10.211 1.00 3.28 H new ATOM 0 HH12 ARG A 169 -8.564 1.611 11.968 1.00 3.28 H new ATOM 0 HH21 ARG A 169 -7.790 -1.797 11.845 1.00 1.44 H new ATOM 0 HH22 ARG A 169 -8.114 -0.407 12.885 1.00 1.44 H new ATOM 2404 N SER A 170 -3.588 -0.538 4.923 1.00 0.24 N ATOM 2405 CA SER A 170 -2.160 -0.918 4.880 1.00 0.29 C ATOM 2406 C SER A 170 -1.370 0.301 4.427 1.00 0.29 C ATOM 2407 O SER A 170 -0.395 0.672 5.025 1.00 0.34 O ATOM 2408 CB SER A 170 -1.958 -2.072 3.896 1.00 0.30 C ATOM 2409 OG SER A 170 -0.897 -2.897 4.358 1.00 0.99 O ATOM 0 H SER A 170 -4.134 -0.800 4.102 1.00 0.24 H new ATOM 0 HA SER A 170 -1.821 -1.246 5.863 1.00 0.29 H new ATOM 0 HB2 SER A 170 -2.875 -2.654 3.806 1.00 0.30 H new ATOM 0 HB3 SER A 170 -1.728 -1.684 2.904 1.00 0.30 H new ATOM 0 HG SER A 170 -1.051 -3.821 4.069 1.00 0.99 H new ATOM 2415 N PHE A 171 -1.797 0.949 3.384 1.00 0.25 N ATOM 2416 CA PHE A 171 -1.064 2.156 2.923 1.00 0.28 C ATOM 2417 C PHE A 171 -0.852 3.107 4.103 1.00 0.32 C ATOM 2418 O PHE A 171 0.221 3.627 4.299 1.00 0.40 O ATOM 2419 CB PHE A 171 -1.862 2.859 1.830 1.00 0.25 C ATOM 2420 CG PHE A 171 -1.497 2.248 0.505 1.00 0.25 C ATOM 2421 CD1 PHE A 171 -1.920 0.955 0.194 1.00 0.46 C ATOM 2422 CD2 PHE A 171 -0.722 2.971 -0.405 1.00 0.61 C ATOM 2423 CE1 PHE A 171 -1.572 0.382 -1.030 1.00 0.43 C ATOM 2424 CE2 PHE A 171 -0.367 2.399 -1.629 1.00 0.64 C ATOM 2425 CZ PHE A 171 -0.793 1.103 -1.944 1.00 0.27 C ATOM 0 H PHE A 171 -2.618 0.697 2.833 1.00 0.25 H new ATOM 0 HA PHE A 171 -0.096 1.858 2.521 1.00 0.28 H new ATOM 0 HB2 PHE A 171 -2.931 2.753 2.014 1.00 0.25 H new ATOM 0 HB3 PHE A 171 -1.643 3.927 1.828 1.00 0.25 H new ATOM 0 HD1 PHE A 171 -2.517 0.398 0.901 1.00 0.46 H new ATOM 0 HD2 PHE A 171 -0.397 3.972 -0.162 1.00 0.61 H new ATOM 0 HE1 PHE A 171 -1.903 -0.617 -1.272 1.00 0.43 H new ATOM 0 HE2 PHE A 171 0.235 2.956 -2.332 1.00 0.64 H new ATOM 0 HZ PHE A 171 -0.521 0.660 -2.891 1.00 0.27 H new ATOM 2435 N LYS A 172 -1.857 3.317 4.904 1.00 0.28 N ATOM 2436 CA LYS A 172 -1.686 4.219 6.074 1.00 0.32 C ATOM 2437 C LYS A 172 -0.628 3.632 7.018 1.00 0.32 C ATOM 2438 O LYS A 172 0.427 4.205 7.218 1.00 0.33 O ATOM 2439 CB LYS A 172 -3.019 4.356 6.815 1.00 0.35 C ATOM 2440 CG LYS A 172 -3.308 5.836 7.078 1.00 0.56 C ATOM 2441 CD LYS A 172 -3.349 6.594 5.749 1.00 1.07 C ATOM 2442 CE LYS A 172 -4.758 7.138 5.507 1.00 1.94 C ATOM 2443 NZ LYS A 172 -4.996 8.311 6.394 1.00 1.25 N ATOM 0 H LYS A 172 -2.785 2.906 4.800 1.00 0.28 H new ATOM 0 HA LYS A 172 -1.362 5.202 5.733 1.00 0.32 H new ATOM 0 HB2 LYS A 172 -3.823 3.917 6.224 1.00 0.35 H new ATOM 0 HB3 LYS A 172 -2.981 3.809 7.757 1.00 0.35 H new ATOM 0 HG2 LYS A 172 -4.259 5.944 7.600 1.00 0.56 H new ATOM 0 HG3 LYS A 172 -2.539 6.258 7.725 1.00 0.56 H new ATOM 0 HD2 LYS A 172 -2.630 7.413 5.765 1.00 1.07 H new ATOM 0 HD3 LYS A 172 -3.060 5.932 4.933 1.00 1.07 H new ATOM 0 HE2 LYS A 172 -4.873 7.429 4.463 1.00 1.94 H new ATOM 0 HE3 LYS A 172 -5.498 6.363 5.705 1.00 1.94 H new ATOM 0 HZ1 LYS A 172 -5.954 8.682 6.230 1.00 1.25 H new ATOM 0 HZ2 LYS A 172 -4.903 8.019 7.388 1.00 1.25 H new ATOM 0 HZ3 LYS A 172 -4.297 9.052 6.184 1.00 1.25 H new ATOM 2457 N GLU A 173 -0.900 2.491 7.598 1.00 0.32 N ATOM 2458 CA GLU A 173 0.091 1.870 8.530 1.00 0.32 C ATOM 2459 C GLU A 173 1.338 1.444 7.748 1.00 0.38 C ATOM 2460 O GLU A 173 2.397 2.008 7.907 1.00 0.42 O ATOM 2461 CB GLU A 173 -0.537 0.642 9.194 1.00 0.32 C ATOM 2462 CG GLU A 173 -1.215 1.058 10.502 1.00 0.80 C ATOM 2463 CD GLU A 173 -1.291 -0.144 11.444 1.00 0.55 C ATOM 2464 OE1 GLU A 173 -2.115 -1.011 11.202 1.00 1.49 O ATOM 2465 OE2 GLU A 173 -0.526 -0.178 12.394 1.00 0.55 O ATOM 0 H GLU A 173 -1.763 1.963 7.468 1.00 0.32 H new ATOM 0 HA GLU A 173 0.374 2.595 9.293 1.00 0.32 H new ATOM 0 HB2 GLU A 173 -1.266 0.186 8.524 1.00 0.32 H new ATOM 0 HB3 GLU A 173 0.228 -0.109 9.392 1.00 0.32 H new ATOM 0 HG2 GLU A 173 -0.656 1.867 10.972 1.00 0.80 H new ATOM 0 HG3 GLU A 173 -2.216 1.438 10.300 1.00 0.80 H new ATOM 2472 N PHE A 174 1.203 0.441 6.921 1.00 0.39 N ATOM 2473 CA PHE A 174 2.347 -0.082 6.097 1.00 0.45 C ATOM 2474 C PHE A 174 3.302 1.043 5.644 1.00 0.48 C ATOM 2475 O PHE A 174 4.471 1.040 5.982 1.00 0.53 O ATOM 2476 CB PHE A 174 1.767 -0.778 4.861 1.00 0.45 C ATOM 2477 CG PHE A 174 2.795 -1.683 4.241 1.00 0.69 C ATOM 2478 CD1 PHE A 174 3.690 -1.175 3.298 1.00 1.60 C ATOM 2479 CD2 PHE A 174 2.848 -3.032 4.606 1.00 0.43 C ATOM 2480 CE1 PHE A 174 4.644 -2.015 2.714 1.00 1.82 C ATOM 2481 CE2 PHE A 174 3.802 -3.876 4.024 1.00 0.50 C ATOM 2482 CZ PHE A 174 4.701 -3.366 3.079 1.00 1.13 C ATOM 0 H PHE A 174 0.324 -0.055 6.775 1.00 0.39 H new ATOM 0 HA PHE A 174 2.925 -0.773 6.710 1.00 0.45 H new ATOM 0 HB2 PHE A 174 0.886 -1.355 5.140 1.00 0.45 H new ATOM 0 HB3 PHE A 174 1.443 -0.033 4.134 1.00 0.45 H new ATOM 0 HD1 PHE A 174 3.646 -0.133 3.019 1.00 1.60 H new ATOM 0 HD2 PHE A 174 2.154 -3.422 5.336 1.00 0.43 H new ATOM 0 HE1 PHE A 174 5.335 -1.622 1.983 1.00 1.82 H new ATOM 0 HE2 PHE A 174 3.844 -4.918 4.303 1.00 0.50 H new ATOM 0 HZ PHE A 174 5.439 -4.015 2.631 1.00 1.13 H new ATOM 2492 N LEU A 175 2.833 1.993 4.873 1.00 0.45 N ATOM 2493 CA LEU A 175 3.746 3.086 4.404 1.00 0.49 C ATOM 2494 C LEU A 175 4.361 3.807 5.607 1.00 0.52 C ATOM 2495 O LEU A 175 5.521 4.169 5.595 1.00 0.59 O ATOM 2496 CB LEU A 175 2.963 4.092 3.558 1.00 0.46 C ATOM 2497 CG LEU A 175 2.510 3.432 2.250 1.00 0.42 C ATOM 2498 CD1 LEU A 175 1.341 4.215 1.656 1.00 0.41 C ATOM 2499 CD2 LEU A 175 3.661 3.436 1.244 1.00 0.40 C ATOM 0 H LEU A 175 1.868 2.061 4.550 1.00 0.45 H new ATOM 0 HA LEU A 175 4.540 2.645 3.802 1.00 0.49 H new ATOM 0 HB2 LEU A 175 2.097 4.451 4.113 1.00 0.46 H new ATOM 0 HB3 LEU A 175 3.585 4.960 3.341 1.00 0.46 H new ATOM 0 HG LEU A 175 2.203 2.407 2.460 1.00 0.42 H new ATOM 0 HD11 LEU A 175 1.022 3.743 0.727 1.00 0.41 H new ATOM 0 HD12 LEU A 175 0.511 4.222 2.363 1.00 0.41 H new ATOM 0 HD13 LEU A 175 1.654 5.239 1.454 1.00 0.41 H new ATOM 0 HD21 LEU A 175 3.335 2.966 0.316 1.00 0.40 H new ATOM 0 HD22 LEU A 175 3.965 4.463 1.043 1.00 0.40 H new ATOM 0 HD23 LEU A 175 4.505 2.881 1.654 1.00 0.40 H new ATOM 2511 N GLN A 176 3.598 4.028 6.645 1.00 0.46 N ATOM 2512 CA GLN A 176 4.156 4.728 7.838 1.00 0.48 C ATOM 2513 C GLN A 176 5.394 3.971 8.337 1.00 0.48 C ATOM 2514 O GLN A 176 6.412 4.559 8.655 1.00 0.50 O ATOM 2515 CB GLN A 176 3.101 4.771 8.946 1.00 0.48 C ATOM 2516 CG GLN A 176 2.446 6.155 8.974 1.00 0.50 C ATOM 2517 CD GLN A 176 2.676 6.803 10.340 1.00 1.03 C ATOM 2518 OE1 GLN A 176 1.897 6.619 11.254 1.00 0.67 O ATOM 2519 NE2 GLN A 176 3.723 7.562 10.520 1.00 2.33 N ATOM 0 H GLN A 176 2.618 3.756 6.718 1.00 0.46 H new ATOM 0 HA GLN A 176 4.436 5.746 7.566 1.00 0.48 H new ATOM 0 HB2 GLN A 176 2.347 4.003 8.774 1.00 0.48 H new ATOM 0 HB3 GLN A 176 3.562 4.555 9.910 1.00 0.48 H new ATOM 0 HG2 GLN A 176 2.865 6.783 8.187 1.00 0.50 H new ATOM 0 HG3 GLN A 176 1.378 6.067 8.777 1.00 0.50 H new ATOM 0 HE21 GLN A 176 4.378 7.717 9.754 1.00 2.33 H new ATOM 0 HE22 GLN A 176 3.886 7.999 11.427 1.00 2.33 H new ATOM 2528 N SER A 177 5.319 2.667 8.397 1.00 0.48 N ATOM 2529 CA SER A 177 6.486 1.870 8.860 1.00 0.48 C ATOM 2530 C SER A 177 7.625 2.046 7.859 1.00 0.51 C ATOM 2531 O SER A 177 8.784 1.961 8.201 1.00 0.46 O ATOM 2532 CB SER A 177 6.096 0.393 8.945 1.00 0.49 C ATOM 2533 OG SER A 177 4.748 0.290 9.385 1.00 0.91 O ATOM 0 H SER A 177 4.496 2.121 8.144 1.00 0.48 H new ATOM 0 HA SER A 177 6.803 2.210 9.846 1.00 0.48 H new ATOM 0 HB2 SER A 177 6.210 -0.082 7.971 1.00 0.49 H new ATOM 0 HB3 SER A 177 6.757 -0.131 9.635 1.00 0.49 H new ATOM 0 HG SER A 177 4.493 -0.655 9.439 1.00 0.91 H new ATOM 2539 N SER A 178 7.294 2.295 6.620 1.00 0.62 N ATOM 2540 CA SER A 178 8.348 2.489 5.586 1.00 0.66 C ATOM 2541 C SER A 178 9.156 3.744 5.916 1.00 0.61 C ATOM 2542 O SER A 178 10.349 3.796 5.706 1.00 0.61 O ATOM 2543 CB SER A 178 7.695 2.649 4.210 1.00 0.76 C ATOM 2544 OG SER A 178 7.350 4.012 4.002 1.00 2.19 O ATOM 0 H SER A 178 6.335 2.372 6.280 1.00 0.62 H new ATOM 0 HA SER A 178 9.008 1.622 5.573 1.00 0.66 H new ATOM 0 HB2 SER A 178 8.379 2.313 3.430 1.00 0.76 H new ATOM 0 HB3 SER A 178 6.805 2.024 4.144 1.00 0.76 H new ATOM 0 HG SER A 178 6.752 4.311 4.718 1.00 2.19 H new ATOM 2550 N LEU A 179 8.516 4.754 6.432 1.00 0.58 N ATOM 2551 CA LEU A 179 9.257 5.998 6.779 1.00 0.54 C ATOM 2552 C LEU A 179 10.178 5.708 7.963 1.00 0.42 C ATOM 2553 O LEU A 179 11.337 6.078 7.972 1.00 0.40 O ATOM 2554 CB LEU A 179 8.261 7.096 7.160 1.00 0.58 C ATOM 2555 CG LEU A 179 7.541 7.590 5.903 1.00 0.54 C ATOM 2556 CD1 LEU A 179 6.027 7.500 6.106 1.00 0.82 C ATOM 2557 CD2 LEU A 179 7.933 9.045 5.629 1.00 0.86 C ATOM 0 H LEU A 179 7.515 4.773 6.628 1.00 0.58 H new ATOM 0 HA LEU A 179 9.846 6.331 5.925 1.00 0.54 H new ATOM 0 HB2 LEU A 179 7.538 6.712 7.879 1.00 0.58 H new ATOM 0 HB3 LEU A 179 8.782 7.923 7.642 1.00 0.58 H new ATOM 0 HG LEU A 179 7.829 6.968 5.055 1.00 0.54 H new ATOM 0 HD11 LEU A 179 5.518 7.853 5.209 1.00 0.82 H new ATOM 0 HD12 LEU A 179 5.747 6.464 6.299 1.00 0.82 H new ATOM 0 HD13 LEU A 179 5.736 8.119 6.955 1.00 0.82 H new ATOM 0 HD21 LEU A 179 7.421 9.397 4.734 1.00 0.86 H new ATOM 0 HD22 LEU A 179 7.647 9.665 6.479 1.00 0.86 H new ATOM 0 HD23 LEU A 179 9.011 9.109 5.479 1.00 0.86 H new ATOM 2569 N ARG A 180 9.671 5.039 8.960 1.00 0.35 N ATOM 2570 CA ARG A 180 10.510 4.714 10.148 1.00 0.32 C ATOM 2571 C ARG A 180 11.418 3.515 9.837 1.00 0.29 C ATOM 2572 O ARG A 180 12.288 3.171 10.612 1.00 0.53 O ATOM 2573 CB ARG A 180 9.598 4.367 11.324 1.00 0.36 C ATOM 2574 CG ARG A 180 10.314 4.682 12.637 1.00 1.27 C ATOM 2575 CD ARG A 180 9.347 4.484 13.805 1.00 1.14 C ATOM 2576 NE ARG A 180 9.844 3.386 14.678 1.00 2.45 N ATOM 2577 CZ ARG A 180 10.562 3.663 15.732 1.00 3.35 C ATOM 2578 NH1 ARG A 180 11.310 4.733 15.748 1.00 3.97 N ATOM 2579 NH2 ARG A 180 10.532 2.873 16.768 1.00 4.10 N ATOM 0 H ARG A 180 8.709 4.702 9.004 1.00 0.35 H new ATOM 0 HA ARG A 180 11.130 5.575 10.399 1.00 0.32 H new ATOM 0 HB2 ARG A 180 8.670 4.936 11.258 1.00 0.36 H new ATOM 0 HB3 ARG A 180 9.328 3.312 11.289 1.00 0.36 H new ATOM 0 HG2 ARG A 180 11.182 4.033 12.755 1.00 1.27 H new ATOM 0 HG3 ARG A 180 10.682 5.708 12.626 1.00 1.27 H new ATOM 0 HD2 ARG A 180 9.258 5.407 14.378 1.00 1.14 H new ATOM 0 HD3 ARG A 180 8.352 4.244 13.431 1.00 1.14 H new ATOM 0 HE ARG A 180 9.623 2.416 14.452 1.00 2.45 H new ATOM 0 HH11 ARG A 180 11.333 5.351 14.937 1.00 3.97 H new ATOM 0 HH12 ARG A 180 11.872 4.950 16.571 1.00 3.97 H new ATOM 0 HH21 ARG A 180 9.947 2.037 16.755 1.00 4.10 H new ATOM 0 HH22 ARG A 180 11.093 3.090 17.591 1.00 4.10 H new ATOM 2593 N ALA A 181 11.234 2.879 8.710 1.00 0.44 N ATOM 2594 CA ALA A 181 12.089 1.714 8.363 1.00 0.60 C ATOM 2595 C ALA A 181 13.358 2.223 7.690 1.00 0.46 C ATOM 2596 O ALA A 181 14.461 1.880 8.068 1.00 0.40 O ATOM 2597 CB ALA A 181 11.330 0.806 7.397 1.00 0.89 C ATOM 0 H ALA A 181 10.526 3.119 8.016 1.00 0.44 H new ATOM 0 HA ALA A 181 12.345 1.154 9.262 1.00 0.60 H new ATOM 0 HB1 ALA A 181 11.952 -0.051 7.138 1.00 0.89 H new ATOM 0 HB2 ALA A 181 10.412 0.458 7.870 1.00 0.89 H new ATOM 0 HB3 ALA A 181 11.084 1.362 6.492 1.00 0.89 H new ATOM 2603 N LEU A 182 13.204 3.054 6.697 1.00 0.57 N ATOM 2604 CA LEU A 182 14.390 3.606 5.999 1.00 0.62 C ATOM 2605 C LEU A 182 15.140 4.517 6.966 1.00 0.63 C ATOM 2606 O LEU A 182 16.353 4.592 6.958 1.00 0.75 O ATOM 2607 CB LEU A 182 13.937 4.405 4.775 1.00 0.78 C ATOM 2608 CG LEU A 182 13.888 3.483 3.555 1.00 0.83 C ATOM 2609 CD1 LEU A 182 12.726 2.499 3.701 1.00 1.01 C ATOM 2610 CD2 LEU A 182 13.693 4.319 2.288 1.00 0.70 C ATOM 0 H LEU A 182 12.303 3.373 6.340 1.00 0.57 H new ATOM 0 HA LEU A 182 15.043 2.798 5.669 1.00 0.62 H new ATOM 0 HB2 LEU A 182 12.954 4.841 4.955 1.00 0.78 H new ATOM 0 HB3 LEU A 182 14.624 5.232 4.592 1.00 0.78 H new ATOM 0 HG LEU A 182 14.824 2.929 3.484 1.00 0.83 H new ATOM 0 HD11 LEU A 182 12.693 1.843 2.831 1.00 1.01 H new ATOM 0 HD12 LEU A 182 12.867 1.901 4.601 1.00 1.01 H new ATOM 0 HD13 LEU A 182 11.789 3.051 3.775 1.00 1.01 H new ATOM 0 HD21 LEU A 182 13.658 3.661 1.420 1.00 0.70 H new ATOM 0 HD22 LEU A 182 12.758 4.875 2.359 1.00 0.70 H new ATOM 0 HD23 LEU A 182 14.523 5.017 2.181 1.00 0.70 H new ATOM 2622 N ARG A 183 14.421 5.201 7.812 1.00 0.57 N ATOM 2623 CA ARG A 183 15.081 6.098 8.798 1.00 0.57 C ATOM 2624 C ARG A 183 15.692 5.244 9.912 1.00 0.60 C ATOM 2625 O ARG A 183 16.665 5.622 10.534 1.00 0.68 O ATOM 2626 CB ARG A 183 14.046 7.054 9.393 1.00 0.56 C ATOM 2627 CG ARG A 183 14.758 8.258 10.014 1.00 0.72 C ATOM 2628 CD ARG A 183 14.802 9.405 9.003 1.00 1.62 C ATOM 2629 NE ARG A 183 15.265 10.645 9.686 1.00 1.80 N ATOM 2630 CZ ARG A 183 16.488 10.728 10.133 1.00 2.99 C ATOM 2631 NH1 ARG A 183 17.475 10.267 9.415 1.00 4.39 N ATOM 2632 NH2 ARG A 183 16.725 11.268 11.297 1.00 3.13 N ATOM 0 H ARG A 183 13.403 5.177 7.862 1.00 0.57 H new ATOM 0 HA ARG A 183 15.862 6.678 8.307 1.00 0.57 H new ATOM 0 HB2 ARG A 183 13.355 7.387 8.618 1.00 0.56 H new ATOM 0 HB3 ARG A 183 13.453 6.540 10.149 1.00 0.56 H new ATOM 0 HG2 ARG A 183 14.237 8.576 10.917 1.00 0.72 H new ATOM 0 HG3 ARG A 183 15.770 7.982 10.310 1.00 0.72 H new ATOM 0 HD2 ARG A 183 15.474 9.156 8.182 1.00 1.62 H new ATOM 0 HD3 ARG A 183 13.814 9.562 8.570 1.00 1.62 H new ATOM 0 HE ARG A 183 14.625 11.430 9.804 1.00 1.80 H new ATOM 0 HH11 ARG A 183 17.290 9.843 8.506 1.00 4.39 H new ATOM 0 HH12 ARG A 183 18.432 10.331 9.763 1.00 4.39 H new ATOM 0 HH21 ARG A 183 15.953 11.626 11.860 1.00 3.13 H new ATOM 0 HH22 ARG A 183 17.682 11.332 11.644 1.00 3.13 H new ATOM 2646 N GLN A 184 15.130 4.090 10.162 1.00 0.64 N ATOM 2647 CA GLN A 184 15.678 3.207 11.222 1.00 0.79 C ATOM 2648 C GLN A 184 16.940 2.517 10.701 1.00 0.76 C ATOM 2649 O GLN A 184 17.764 2.050 11.461 1.00 0.94 O ATOM 2650 CB GLN A 184 14.618 2.159 11.584 1.00 0.95 C ATOM 2651 CG GLN A 184 15.218 1.097 12.507 1.00 2.06 C ATOM 2652 CD GLN A 184 15.728 1.759 13.789 1.00 1.67 C ATOM 2653 OE1 GLN A 184 16.789 1.425 14.277 1.00 2.49 O ATOM 2654 NE2 GLN A 184 15.012 2.690 14.360 1.00 0.80 N ATOM 0 H GLN A 184 14.313 3.724 9.674 1.00 0.64 H new ATOM 0 HA GLN A 184 15.932 3.790 12.107 1.00 0.79 H new ATOM 0 HB2 GLN A 184 13.772 2.641 12.074 1.00 0.95 H new ATOM 0 HB3 GLN A 184 14.236 1.689 10.678 1.00 0.95 H new ATOM 0 HG2 GLN A 184 14.467 0.344 12.748 1.00 2.06 H new ATOM 0 HG3 GLN A 184 16.035 0.582 12.002 1.00 2.06 H new ATOM 0 HE21 GLN A 184 14.121 2.971 13.951 1.00 0.80 H new ATOM 0 HE22 GLN A 184 15.344 3.136 15.215 1.00 0.80 H new ATOM 2663 N MET A 185 17.096 2.445 9.410 1.00 0.58 N ATOM 2664 CA MET A 185 18.299 1.782 8.848 1.00 0.58 C ATOM 2665 C MET A 185 19.533 2.653 9.098 1.00 0.75 C ATOM 2666 O MET A 185 19.950 3.332 8.174 1.00 0.63 O ATOM 2667 CB MET A 185 18.105 1.582 7.348 1.00 0.43 C ATOM 2668 CG MET A 185 17.086 0.465 7.114 1.00 0.48 C ATOM 2669 SD MET A 185 16.454 0.565 5.421 1.00 0.53 S ATOM 2670 CE MET A 185 14.941 -0.390 5.691 1.00 0.42 C ATOM 2671 OXT MET A 185 20.038 2.627 10.208 1.00 1.88 O ATOM 0 H MET A 185 16.442 2.817 8.721 1.00 0.58 H new ATOM 0 HA MET A 185 18.443 0.815 9.330 1.00 0.58 H new ATOM 0 HB2 MET A 185 17.759 2.508 6.888 1.00 0.43 H new ATOM 0 HB3 MET A 185 19.055 1.328 6.878 1.00 0.43 H new ATOM 0 HG2 MET A 185 17.551 -0.506 7.283 1.00 0.48 H new ATOM 0 HG3 MET A 185 16.265 0.553 7.825 1.00 0.48 H new ATOM 0 HE1 MET A 185 14.894 -1.208 4.972 1.00 0.42 H new ATOM 0 HE2 MET A 185 14.943 -0.796 6.703 1.00 0.42 H new ATOM 0 HE3 MET A 185 14.074 0.258 5.562 1.00 0.42 H new