USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl 136:sc= -0.849 (180deg=-1.06) USER MOD Set 1.2: A 107 THR OG1 : rot 103:sc= 1.24 USER MOD Set 2.1: A 82 LYS NZ :NH3+ -157:sc=-0.00209 (180deg=-0.142) USER MOD Set 2.2: A 97 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.66) USER MOD Single : A 3 SER OG : rot 36:sc= 0.00964 USER MOD Single : A 4 ASN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0413) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= -0.99 (180deg=-1.02) USER MOD Single : A 23 TYR OH : rot 15:sc= -0.77 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00435) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0417) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -64:sc= 1.01 USER MOD Single : A 43 MET CE :methyl -124:sc= -2.38 (180deg=-5.27!) USER MOD Single : A 44 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.0541 (180deg=-0.343) USER MOD Single : A 57 GLN : amide:sc= -0.0763 K(o=-0.076,f=-0.71) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0104 (180deg=-0.413) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.016) USER MOD Single : A 95 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 178:sc= 0.928 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -141:sc= -0.0427 (180deg=-0.348) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= -0.0249 (180deg=-0.198) USER MOD Single : A 117 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.138 -1.535 0.545 1.00 30.45 N ATOM 2 CA SER A 3 1.849 -1.126 -0.660 1.00 52.11 C ATOM 3 C SER A 3 1.092 -1.562 -1.911 1.00 44.13 C ATOM 4 O SER A 3 0.649 -2.705 -2.015 1.00 1.30 O ATOM 5 CB SER A 3 3.260 -1.717 -0.671 1.00 72.24 C ATOM 6 OG SER A 3 4.053 -1.163 0.363 1.00 5.43 O ATOM 0 HA SER A 3 1.919 -0.038 -0.660 1.00 52.11 H new ATOM 0 HB2 SER A 3 3.205 -2.799 -0.551 1.00 72.24 H new ATOM 0 HB3 SER A 3 3.730 -1.526 -1.636 1.00 72.24 H new ATOM 0 HG SER A 3 3.496 -1.005 1.153 1.00 5.43 H new ATOM 12 N ASN A 4 0.949 -0.641 -2.859 1.00 63.54 N ATOM 13 CA ASN A 4 0.246 -0.929 -4.104 1.00 61.42 C ATOM 14 C ASN A 4 1.118 -1.759 -5.042 1.00 51.11 C ATOM 15 O ASN A 4 0.629 -2.653 -5.732 1.00 51.10 O ATOM 16 CB ASN A 4 -0.168 0.372 -4.793 1.00 13.40 C ATOM 17 CG ASN A 4 -0.740 0.137 -6.178 1.00 14.24 C ATOM 18 OD1 ASN A 4 -1.930 -0.139 -6.331 1.00 54.41 O ATOM 19 ND2 ASN A 4 0.107 0.245 -7.194 1.00 43.30 N ATOM 0 H ASN A 4 1.310 0.310 -2.789 1.00 63.54 H new ATOM 0 HA ASN A 4 -0.647 -1.505 -3.863 1.00 61.42 H new ATOM 0 HB2 ASN A 4 -0.909 0.885 -4.179 1.00 13.40 H new ATOM 0 HB3 ASN A 4 0.697 1.032 -4.867 1.00 13.40 H new ATOM 0 HD21 ASN A 4 -0.220 0.097 -8.149 1.00 43.30 H new ATOM 0 HD22 ASN A 4 1.085 0.476 -7.020 1.00 43.30 H new ATOM 26 N ALA A 5 2.412 -1.456 -5.061 1.00 32.01 N ATOM 27 CA ALA A 5 3.352 -2.175 -5.911 1.00 42.14 C ATOM 28 C ALA A 5 4.228 -3.114 -5.090 1.00 25.14 C ATOM 29 O ALA A 5 5.245 -3.611 -5.572 1.00 23.12 O ATOM 30 CB ALA A 5 4.214 -1.194 -6.692 1.00 42.30 C ATOM 0 H ALA A 5 2.833 -0.717 -4.497 1.00 32.01 H new ATOM 0 HA ALA A 5 2.779 -2.778 -6.615 1.00 42.14 H new ATOM 0 HB1 ALA A 5 4.912 -1.745 -7.323 1.00 42.30 H new ATOM 0 HB2 ALA A 5 3.577 -0.567 -7.316 1.00 42.30 H new ATOM 0 HB3 ALA A 5 4.771 -0.566 -5.997 1.00 42.30 H new ATOM 36 N GLY A 6 3.827 -3.353 -3.844 1.00 43.45 N ATOM 37 CA GLY A 6 4.588 -4.231 -2.975 1.00 61.03 C ATOM 38 C GLY A 6 4.654 -5.651 -3.500 1.00 72.55 C ATOM 39 O GLY A 6 5.582 -6.395 -3.184 1.00 40.12 O ATOM 0 H GLY A 6 2.989 -2.954 -3.422 1.00 43.45 H new ATOM 0 HA2 GLY A 6 5.600 -3.840 -2.865 1.00 61.03 H new ATOM 0 HA3 GLY A 6 4.138 -4.234 -1.982 1.00 61.03 H new ATOM 43 N ALA A 7 3.665 -6.030 -4.304 1.00 1.02 N ATOM 44 CA ALA A 7 3.615 -7.371 -4.874 1.00 13.51 C ATOM 45 C ALA A 7 4.770 -7.599 -5.843 1.00 11.22 C ATOM 46 O ALA A 7 5.383 -8.667 -5.851 1.00 41.44 O ATOM 47 CB ALA A 7 2.283 -7.596 -5.575 1.00 21.44 C ATOM 0 H ALA A 7 2.888 -5.427 -4.575 1.00 1.02 H new ATOM 0 HA ALA A 7 3.711 -8.089 -4.060 1.00 13.51 H new ATOM 0 HB1 ALA A 7 2.259 -8.601 -5.996 1.00 21.44 H new ATOM 0 HB2 ALA A 7 1.471 -7.484 -4.857 1.00 21.44 H new ATOM 0 HB3 ALA A 7 2.164 -6.865 -6.374 1.00 21.44 H new ATOM 53 N ILE A 8 5.061 -6.590 -6.657 1.00 73.35 N ATOM 54 CA ILE A 8 6.143 -6.682 -7.630 1.00 13.02 C ATOM 55 C ILE A 8 7.503 -6.560 -6.952 1.00 21.24 C ATOM 56 O ILE A 8 8.467 -7.213 -7.350 1.00 21.34 O ATOM 57 CB ILE A 8 6.022 -5.592 -8.711 1.00 74.34 C ATOM 58 CG1 ILE A 8 4.679 -5.709 -9.436 1.00 12.14 C ATOM 59 CG2 ILE A 8 7.173 -5.697 -9.700 1.00 4.43 C ATOM 60 CD1 ILE A 8 3.576 -4.893 -8.799 1.00 32.05 C ATOM 0 H ILE A 8 4.563 -5.700 -6.662 1.00 73.35 H new ATOM 0 HA ILE A 8 6.061 -7.661 -8.102 1.00 13.02 H new ATOM 0 HB ILE A 8 6.070 -4.616 -8.228 1.00 74.34 H new ATOM 0 HG12 ILE A 8 4.805 -5.390 -10.471 1.00 12.14 H new ATOM 0 HG13 ILE A 8 4.378 -6.756 -9.460 1.00 12.14 H new ATOM 0 HG21 ILE A 8 7.073 -4.920 -10.458 1.00 4.43 H new ATOM 0 HG22 ILE A 8 8.119 -5.571 -9.173 1.00 4.43 H new ATOM 0 HG23 ILE A 8 7.153 -6.676 -10.179 1.00 4.43 H new ATOM 0 HD11 ILE A 8 2.654 -5.024 -9.365 1.00 32.05 H new ATOM 0 HD12 ILE A 8 3.423 -5.227 -7.773 1.00 32.05 H new ATOM 0 HD13 ILE A 8 3.856 -3.840 -8.800 1.00 32.05 H new ATOM 72 N ALA A 9 7.573 -5.721 -5.924 1.00 14.43 N ATOM 73 CA ALA A 9 8.814 -5.516 -5.187 1.00 73.01 C ATOM 74 C ALA A 9 9.181 -6.754 -4.375 1.00 53.34 C ATOM 75 O ALA A 9 10.358 -7.039 -4.157 1.00 3.15 O ATOM 76 CB ALA A 9 8.694 -4.302 -4.277 1.00 75.44 C ATOM 0 H ALA A 9 6.784 -5.172 -5.582 1.00 14.43 H new ATOM 0 HA ALA A 9 9.611 -5.337 -5.909 1.00 73.01 H new ATOM 0 HB1 ALA A 9 9.628 -4.161 -3.733 1.00 75.44 H new ATOM 0 HB2 ALA A 9 8.487 -3.416 -4.877 1.00 75.44 H new ATOM 0 HB3 ALA A 9 7.881 -4.458 -3.568 1.00 75.44 H new ATOM 82 N LYS A 10 8.165 -7.486 -3.930 1.00 64.02 N ATOM 83 CA LYS A 10 8.380 -8.694 -3.143 1.00 22.13 C ATOM 84 C LYS A 10 9.001 -9.796 -3.995 1.00 72.22 C ATOM 85 O LYS A 10 9.502 -10.793 -3.472 1.00 15.52 O ATOM 86 CB LYS A 10 7.058 -9.180 -2.546 1.00 33.35 C ATOM 87 CG LYS A 10 7.229 -10.233 -1.464 1.00 2.53 C ATOM 88 CD LYS A 10 5.890 -10.675 -0.899 1.00 13.24 C ATOM 89 CE LYS A 10 6.014 -11.113 0.553 1.00 43.14 C ATOM 90 NZ LYS A 10 6.962 -12.251 0.709 1.00 0.21 N ATOM 0 H LYS A 10 7.184 -7.263 -4.101 1.00 64.02 H new ATOM 0 HA LYS A 10 9.070 -8.453 -2.334 1.00 22.13 H new ATOM 0 HB2 LYS A 10 6.522 -8.327 -2.130 1.00 33.35 H new ATOM 0 HB3 LYS A 10 6.437 -9.588 -3.344 1.00 33.35 H new ATOM 0 HG2 LYS A 10 7.754 -11.095 -1.874 1.00 2.53 H new ATOM 0 HG3 LYS A 10 7.850 -9.834 -0.662 1.00 2.53 H new ATOM 0 HD2 LYS A 10 5.175 -9.856 -0.973 1.00 13.24 H new ATOM 0 HD3 LYS A 10 5.496 -11.498 -1.496 1.00 13.24 H new ATOM 0 HE2 LYS A 10 6.353 -10.272 1.158 1.00 43.14 H new ATOM 0 HE3 LYS A 10 5.033 -11.403 0.930 1.00 43.14 H new ATOM 0 HZ1 LYS A 10 6.906 -12.619 1.680 1.00 0.21 H new ATOM 0 HZ2 LYS A 10 6.713 -13.005 0.038 1.00 0.21 H new ATOM 0 HZ3 LYS A 10 7.931 -11.924 0.518 1.00 0.21 H new ATOM 104 N LEU A 11 8.966 -9.611 -5.310 1.00 40.12 N ATOM 105 CA LEU A 11 9.527 -10.589 -6.236 1.00 32.22 C ATOM 106 C LEU A 11 11.040 -10.431 -6.344 1.00 61.31 C ATOM 107 O LEU A 11 11.744 -11.362 -6.737 1.00 4.13 O ATOM 108 CB LEU A 11 8.887 -10.439 -7.617 1.00 52.00 C ATOM 109 CG LEU A 11 7.392 -10.116 -7.633 1.00 4.33 C ATOM 110 CD1 LEU A 11 6.883 -10.015 -9.062 1.00 71.31 C ATOM 111 CD2 LEU A 11 6.611 -11.167 -6.859 1.00 20.43 C ATOM 0 H LEU A 11 8.555 -8.793 -5.759 1.00 40.12 H new ATOM 0 HA LEU A 11 9.311 -11.585 -5.849 1.00 32.22 H new ATOM 0 HB2 LEU A 11 9.414 -9.652 -8.156 1.00 52.00 H new ATOM 0 HB3 LEU A 11 9.044 -11.365 -8.171 1.00 52.00 H new ATOM 0 HG LEU A 11 7.243 -9.152 -7.148 1.00 4.33 H new ATOM 0 HD11 LEU A 11 5.818 -9.785 -9.053 1.00 71.31 H new ATOM 0 HD12 LEU A 11 7.421 -9.224 -9.585 1.00 71.31 H new ATOM 0 HD13 LEU A 11 7.045 -10.964 -9.574 1.00 71.31 H new ATOM 0 HD21 LEU A 11 5.549 -10.921 -6.881 1.00 20.43 H new ATOM 0 HD22 LEU A 11 6.766 -12.145 -7.315 1.00 20.43 H new ATOM 0 HD23 LEU A 11 6.957 -11.189 -5.826 1.00 20.43 H new ATOM 123 N ILE A 12 11.533 -9.249 -5.992 1.00 0.14 N ATOM 124 CA ILE A 12 12.963 -8.971 -6.046 1.00 52.11 C ATOM 125 C ILE A 12 13.753 -9.994 -5.237 1.00 50.02 C ATOM 126 O ILE A 12 14.638 -10.679 -5.751 1.00 11.22 O ATOM 127 CB ILE A 12 13.282 -7.559 -5.520 1.00 24.35 C ATOM 128 CG1 ILE A 12 13.190 -6.535 -6.653 1.00 31.52 C ATOM 129 CG2 ILE A 12 14.665 -7.531 -4.885 1.00 33.35 C ATOM 130 CD1 ILE A 12 14.254 -6.710 -7.713 1.00 61.34 C ATOM 0 H ILE A 12 10.963 -8.468 -5.666 1.00 0.14 H new ATOM 0 HA ILE A 12 13.258 -9.035 -7.093 1.00 52.11 H new ATOM 0 HB ILE A 12 12.547 -7.297 -4.759 1.00 24.35 H new ATOM 0 HG12 ILE A 12 12.208 -6.609 -7.120 1.00 31.52 H new ATOM 0 HG13 ILE A 12 13.269 -5.532 -6.233 1.00 31.52 H new ATOM 0 HG21 ILE A 12 14.877 -6.527 -4.518 1.00 33.35 H new ATOM 0 HG22 ILE A 12 14.698 -8.236 -4.054 1.00 33.35 H new ATOM 0 HG23 ILE A 12 15.412 -7.811 -5.628 1.00 33.35 H new ATOM 0 HD11 ILE A 12 14.128 -5.950 -8.484 1.00 61.34 H new ATOM 0 HD12 ILE A 12 15.240 -6.606 -7.260 1.00 61.34 H new ATOM 0 HD13 ILE A 12 14.163 -7.700 -8.160 1.00 61.34 H new ATOM 142 N PRO A 13 13.426 -10.103 -3.941 1.00 23.31 N ATOM 143 CA PRO A 13 14.092 -11.042 -3.033 1.00 71.43 C ATOM 144 C PRO A 13 13.744 -12.494 -3.344 1.00 63.23 C ATOM 145 O PRO A 13 14.505 -13.408 -3.026 1.00 4.05 O ATOM 146 CB PRO A 13 13.553 -10.647 -1.656 1.00 44.21 C ATOM 147 CG PRO A 13 12.236 -10.009 -1.933 1.00 41.25 C ATOM 148 CD PRO A 13 12.382 -9.319 -3.262 1.00 14.25 C ATOM 0 HA PRO A 13 15.178 -10.986 -3.113 1.00 71.43 H new ATOM 0 HB2 PRO A 13 13.443 -11.518 -1.009 1.00 44.21 H new ATOM 0 HB3 PRO A 13 14.228 -9.957 -1.150 1.00 44.21 H new ATOM 0 HG2 PRO A 13 11.441 -10.754 -1.965 1.00 41.25 H new ATOM 0 HG3 PRO A 13 11.975 -9.297 -1.150 1.00 41.25 H new ATOM 0 HD2 PRO A 13 11.447 -9.325 -3.822 1.00 14.25 H new ATOM 0 HD3 PRO A 13 12.676 -8.276 -3.143 1.00 14.25 H new ATOM 156 N LYS A 14 12.590 -12.700 -3.969 1.00 71.50 N ATOM 157 CA LYS A 14 12.141 -14.041 -4.325 1.00 61.24 C ATOM 158 C LYS A 14 13.204 -14.773 -5.139 1.00 2.43 C ATOM 159 O LYS A 14 13.499 -15.941 -4.885 1.00 64.34 O ATOM 160 CB LYS A 14 10.835 -13.970 -5.120 1.00 43.22 C ATOM 161 CG LYS A 14 9.613 -14.386 -4.320 1.00 71.15 C ATOM 162 CD LYS A 14 9.477 -15.898 -4.256 1.00 71.15 C ATOM 163 CE LYS A 14 8.736 -16.443 -5.468 1.00 42.11 C ATOM 164 NZ LYS A 14 7.322 -15.977 -5.510 1.00 24.04 N ATOM 0 H LYS A 14 11.948 -11.955 -4.240 1.00 71.50 H new ATOM 0 HA LYS A 14 11.968 -14.596 -3.403 1.00 61.24 H new ATOM 0 HB2 LYS A 14 10.694 -12.951 -5.480 1.00 43.22 H new ATOM 0 HB3 LYS A 14 10.919 -14.610 -5.999 1.00 43.22 H new ATOM 0 HG2 LYS A 14 9.684 -13.983 -3.310 1.00 71.15 H new ATOM 0 HG3 LYS A 14 8.718 -13.958 -4.772 1.00 71.15 H new ATOM 0 HD2 LYS A 14 10.467 -16.351 -4.199 1.00 71.15 H new ATOM 0 HD3 LYS A 14 8.945 -16.178 -3.347 1.00 71.15 H new ATOM 0 HE2 LYS A 14 9.249 -16.130 -6.378 1.00 42.11 H new ATOM 0 HE3 LYS A 14 8.759 -17.533 -5.448 1.00 42.11 H new ATOM 0 HZ1 LYS A 14 6.881 -16.285 -6.400 1.00 24.04 H new ATOM 0 HZ2 LYS A 14 6.799 -16.381 -4.707 1.00 24.04 H new ATOM 0 HZ3 LYS A 14 7.297 -14.939 -5.453 1.00 24.04 H new ATOM 178 N LEU A 15 13.777 -14.078 -6.115 1.00 43.23 N ATOM 179 CA LEU A 15 14.810 -14.661 -6.965 1.00 54.02 C ATOM 180 C LEU A 15 16.172 -14.610 -6.281 1.00 13.15 C ATOM 181 O LEU A 15 17.056 -15.414 -6.574 1.00 13.43 O ATOM 182 CB LEU A 15 14.871 -13.925 -8.305 1.00 4.45 C ATOM 183 CG LEU A 15 13.603 -13.974 -9.157 1.00 13.34 C ATOM 184 CD1 LEU A 15 13.404 -12.659 -9.894 1.00 53.41 C ATOM 185 CD2 LEU A 15 13.665 -15.134 -10.139 1.00 74.11 C ATOM 0 H LEU A 15 13.544 -13.110 -6.338 1.00 43.23 H new ATOM 0 HA LEU A 15 14.553 -15.705 -7.142 1.00 54.02 H new ATOM 0 HB2 LEU A 15 15.114 -12.880 -8.112 1.00 4.45 H new ATOM 0 HB3 LEU A 15 15.693 -14.341 -8.888 1.00 4.45 H new ATOM 0 HG LEU A 15 12.750 -14.129 -8.496 1.00 13.34 H new ATOM 0 HD11 LEU A 15 12.496 -12.713 -10.495 1.00 53.41 H new ATOM 0 HD12 LEU A 15 13.313 -11.847 -9.172 1.00 53.41 H new ATOM 0 HD13 LEU A 15 14.259 -12.473 -10.544 1.00 53.41 H new ATOM 0 HD21 LEU A 15 12.754 -15.153 -10.737 1.00 74.11 H new ATOM 0 HD22 LEU A 15 14.527 -15.010 -10.795 1.00 74.11 H new ATOM 0 HD23 LEU A 15 13.759 -16.071 -9.590 1.00 74.11 H new ATOM 197 N GLY A 16 16.333 -13.660 -5.364 1.00 52.45 N ATOM 198 CA GLY A 16 17.589 -13.523 -4.651 1.00 11.33 C ATOM 199 C GLY A 16 17.925 -14.750 -3.827 1.00 74.33 C ATOM 200 O GLY A 16 19.093 -15.018 -3.549 1.00 10.42 O ATOM 0 H GLY A 16 15.616 -12.983 -5.103 1.00 52.45 H new ATOM 0 HA2 GLY A 16 18.391 -13.339 -5.366 1.00 11.33 H new ATOM 0 HA3 GLY A 16 17.539 -12.653 -3.997 1.00 11.33 H new ATOM 204 N GLU A 17 16.897 -15.498 -3.436 1.00 2.44 N ATOM 205 CA GLU A 17 17.090 -16.702 -2.637 1.00 22.13 C ATOM 206 C GLU A 17 18.043 -17.670 -3.333 1.00 54.11 C ATOM 207 O GLU A 17 18.796 -18.395 -2.681 1.00 55.13 O ATOM 208 CB GLU A 17 15.748 -17.389 -2.377 1.00 11.25 C ATOM 209 CG GLU A 17 15.769 -18.336 -1.189 1.00 20.22 C ATOM 210 CD GLU A 17 14.699 -19.407 -1.278 1.00 23.23 C ATOM 211 OE1 GLU A 17 13.502 -19.053 -1.272 1.00 40.31 O ATOM 212 OE2 GLU A 17 15.060 -20.600 -1.353 1.00 63.53 O ATOM 0 H GLU A 17 15.924 -15.291 -3.660 1.00 2.44 H new ATOM 0 HA GLU A 17 17.530 -16.408 -1.684 1.00 22.13 H new ATOM 0 HB2 GLU A 17 14.986 -16.628 -2.211 1.00 11.25 H new ATOM 0 HB3 GLU A 17 15.455 -17.944 -3.268 1.00 11.25 H new ATOM 0 HG2 GLU A 17 16.748 -18.810 -1.125 1.00 20.22 H new ATOM 0 HG3 GLU A 17 15.631 -17.765 -0.271 1.00 20.22 H new ATOM 219 N LEU A 18 18.003 -17.676 -4.661 1.00 24.41 N ATOM 220 CA LEU A 18 18.862 -18.555 -5.447 1.00 61.24 C ATOM 221 C LEU A 18 20.198 -17.883 -5.750 1.00 74.31 C ATOM 222 O LEU A 18 21.152 -18.537 -6.172 1.00 25.44 O ATOM 223 CB LEU A 18 18.167 -18.945 -6.753 1.00 31.31 C ATOM 224 CG LEU A 18 17.282 -20.191 -6.696 1.00 65.41 C ATOM 225 CD1 LEU A 18 18.131 -21.440 -6.509 1.00 54.22 C ATOM 226 CD2 LEU A 18 16.258 -20.068 -5.578 1.00 2.24 C ATOM 0 H LEU A 18 17.386 -17.083 -5.216 1.00 24.41 H new ATOM 0 HA LEU A 18 19.053 -19.454 -4.861 1.00 61.24 H new ATOM 0 HB2 LEU A 18 17.556 -18.104 -7.081 1.00 31.31 H new ATOM 0 HB3 LEU A 18 18.931 -19.101 -7.515 1.00 31.31 H new ATOM 0 HG LEU A 18 16.748 -20.277 -7.642 1.00 65.41 H new ATOM 0 HD11 LEU A 18 17.485 -22.317 -6.471 1.00 54.22 H new ATOM 0 HD12 LEU A 18 18.825 -21.537 -7.344 1.00 54.22 H new ATOM 0 HD13 LEU A 18 18.693 -21.362 -5.578 1.00 54.22 H new ATOM 0 HD21 LEU A 18 15.637 -20.964 -5.553 1.00 2.24 H new ATOM 0 HD22 LEU A 18 16.773 -19.956 -4.624 1.00 2.24 H new ATOM 0 HD23 LEU A 18 15.629 -19.196 -5.755 1.00 2.24 H new ATOM 238 N LEU A 19 20.258 -16.575 -5.531 1.00 5.52 N ATOM 239 CA LEU A 19 21.478 -15.813 -5.778 1.00 22.31 C ATOM 240 C LEU A 19 22.335 -15.733 -4.518 1.00 73.43 C ATOM 241 O LEU A 19 23.517 -15.397 -4.579 1.00 64.14 O ATOM 242 CB LEU A 19 21.134 -14.405 -6.264 1.00 52.54 C ATOM 243 CG LEU A 19 21.220 -14.176 -7.774 1.00 1.01 C ATOM 244 CD1 LEU A 19 22.670 -14.179 -8.232 1.00 42.12 C ATOM 245 CD2 LEU A 19 20.421 -15.234 -8.520 1.00 72.31 C ATOM 0 H LEU A 19 19.477 -16.019 -5.183 1.00 5.52 H new ATOM 0 HA LEU A 19 22.048 -16.328 -6.551 1.00 22.31 H new ATOM 0 HB2 LEU A 19 20.122 -14.167 -5.938 1.00 52.54 H new ATOM 0 HB3 LEU A 19 21.802 -13.699 -5.771 1.00 52.54 H new ATOM 0 HG LEU A 19 20.791 -13.200 -7.999 1.00 1.01 H new ATOM 0 HD11 LEU A 19 22.712 -14.015 -9.309 1.00 42.12 H new ATOM 0 HD12 LEU A 19 23.214 -13.384 -7.722 1.00 42.12 H new ATOM 0 HD13 LEU A 19 23.125 -15.140 -7.994 1.00 42.12 H new ATOM 0 HD21 LEU A 19 20.493 -15.055 -9.593 1.00 72.31 H new ATOM 0 HD22 LEU A 19 20.820 -16.222 -8.289 1.00 72.31 H new ATOM 0 HD23 LEU A 19 19.376 -15.184 -8.214 1.00 72.31 H new ATOM 257 N VAL A 20 21.730 -16.047 -3.377 1.00 21.02 N ATOM 258 CA VAL A 20 22.438 -16.014 -2.103 1.00 20.24 C ATOM 259 C VAL A 20 23.285 -17.267 -1.912 1.00 32.41 C ATOM 260 O VAL A 20 24.238 -17.273 -1.134 1.00 32.01 O ATOM 261 CB VAL A 20 21.460 -15.884 -0.920 1.00 74.11 C ATOM 262 CG1 VAL A 20 20.582 -14.653 -1.086 1.00 1.21 C ATOM 263 CG2 VAL A 20 20.611 -17.140 -0.791 1.00 21.13 C ATOM 0 H VAL A 20 20.752 -16.327 -3.309 1.00 21.02 H new ATOM 0 HA VAL A 20 23.088 -15.139 -2.125 1.00 20.24 H new ATOM 0 HB VAL A 20 22.039 -15.768 -0.004 1.00 74.11 H new ATOM 0 HG11 VAL A 20 19.898 -14.578 -0.241 1.00 1.21 H new ATOM 0 HG12 VAL A 20 21.209 -13.762 -1.126 1.00 1.21 H new ATOM 0 HG13 VAL A 20 20.010 -14.736 -2.010 1.00 1.21 H new ATOM 0 HG21 VAL A 20 19.926 -17.031 0.050 1.00 21.13 H new ATOM 0 HG22 VAL A 20 20.040 -17.289 -1.708 1.00 21.13 H new ATOM 0 HG23 VAL A 20 21.258 -18.001 -0.622 1.00 21.13 H new ATOM 273 N GLY A 21 22.930 -18.330 -2.629 1.00 1.32 N ATOM 274 CA GLY A 21 23.668 -19.575 -2.525 1.00 10.04 C ATOM 275 C GLY A 21 22.892 -20.649 -1.788 1.00 40.20 C ATOM 276 O GLY A 21 23.471 -21.622 -1.308 1.00 24.25 O ATOM 0 H GLY A 21 22.145 -18.350 -3.280 1.00 1.32 H new ATOM 0 HA2 GLY A 21 23.916 -19.932 -3.525 1.00 10.04 H new ATOM 0 HA3 GLY A 21 24.611 -19.393 -2.009 1.00 10.04 H new ATOM 280 N GLU A 22 21.578 -20.470 -1.698 1.00 33.52 N ATOM 281 CA GLU A 22 20.722 -21.432 -1.012 1.00 5.23 C ATOM 282 C GLU A 22 20.006 -22.334 -2.012 1.00 63.15 C ATOM 283 O GLU A 22 18.885 -22.046 -2.433 1.00 24.30 O ATOM 284 CB GLU A 22 19.697 -20.704 -0.140 1.00 21.34 C ATOM 285 CG GLU A 22 18.680 -21.631 0.506 1.00 43.23 C ATOM 286 CD GLU A 22 19.330 -22.742 1.308 1.00 52.14 C ATOM 287 OE1 GLU A 22 19.655 -23.790 0.712 1.00 61.31 O ATOM 288 OE2 GLU A 22 19.512 -22.563 2.530 1.00 65.52 O ATOM 0 H GLU A 22 21.083 -19.669 -2.091 1.00 33.52 H new ATOM 0 HA GLU A 22 21.353 -22.053 -0.377 1.00 5.23 H new ATOM 0 HB2 GLU A 22 20.222 -20.154 0.641 1.00 21.34 H new ATOM 0 HB3 GLU A 22 19.171 -19.969 -0.749 1.00 21.34 H new ATOM 0 HG2 GLU A 22 18.028 -21.051 1.159 1.00 43.23 H new ATOM 0 HG3 GLU A 22 18.049 -22.068 -0.268 1.00 43.23 H new ATOM 295 N TYR A 23 20.662 -23.426 -2.390 1.00 32.12 N ATOM 296 CA TYR A 23 20.090 -24.370 -3.343 1.00 41.53 C ATOM 297 C TYR A 23 20.925 -25.645 -3.415 1.00 53.42 C ATOM 298 O TYR A 23 22.141 -25.617 -3.224 1.00 13.01 O ATOM 299 CB TYR A 23 19.994 -23.731 -4.730 1.00 1.42 C ATOM 300 CG TYR A 23 21.276 -23.067 -5.181 1.00 33.21 C ATOM 301 CD1 TYR A 23 22.315 -23.814 -5.721 1.00 60.14 C ATOM 302 CD2 TYR A 23 21.447 -21.693 -5.067 1.00 53.13 C ATOM 303 CE1 TYR A 23 23.488 -23.212 -6.134 1.00 71.10 C ATOM 304 CE2 TYR A 23 22.616 -21.082 -5.479 1.00 34.23 C ATOM 305 CZ TYR A 23 23.633 -21.846 -6.011 1.00 23.11 C ATOM 306 OH TYR A 23 24.800 -21.242 -6.422 1.00 74.41 O ATOM 0 H TYR A 23 21.590 -23.679 -2.051 1.00 32.12 H new ATOM 0 HA TYR A 23 19.089 -24.632 -3.000 1.00 41.53 H new ATOM 0 HB2 TYR A 23 19.717 -24.496 -5.455 1.00 1.42 H new ATOM 0 HB3 TYR A 23 19.194 -22.991 -4.725 1.00 1.42 H new ATOM 0 HD1 TYR A 23 22.204 -24.884 -5.820 1.00 60.14 H new ATOM 0 HD2 TYR A 23 20.653 -21.092 -4.649 1.00 53.13 H new ATOM 0 HE1 TYR A 23 24.287 -23.808 -6.551 1.00 71.10 H new ATOM 0 HE2 TYR A 23 22.732 -20.012 -5.385 1.00 34.23 H new ATOM 0 HH TYR A 23 25.311 -21.864 -6.982 1.00 74.41 H new ATOM 316 N LYS A 24 20.262 -26.762 -3.693 1.00 64.42 N ATOM 317 CA LYS A 24 20.941 -28.049 -3.793 1.00 75.32 C ATOM 318 C LYS A 24 21.010 -28.517 -5.244 1.00 11.54 C ATOM 319 O LYS A 24 20.552 -29.611 -5.577 1.00 4.44 O ATOM 320 CB LYS A 24 20.218 -29.097 -2.943 1.00 4.12 C ATOM 321 CG LYS A 24 21.014 -30.376 -2.748 1.00 61.04 C ATOM 322 CD LYS A 24 20.547 -31.142 -1.522 1.00 61.32 C ATOM 323 CE LYS A 24 21.017 -30.478 -0.237 1.00 40.22 C ATOM 324 NZ LYS A 24 20.445 -31.137 0.969 1.00 25.24 N ATOM 0 H LYS A 24 19.255 -26.803 -3.853 1.00 64.42 H new ATOM 0 HA LYS A 24 21.958 -27.925 -3.421 1.00 75.32 H new ATOM 0 HB2 LYS A 24 19.991 -28.668 -1.967 1.00 4.12 H new ATOM 0 HB3 LYS A 24 19.265 -29.340 -3.414 1.00 4.12 H new ATOM 0 HG2 LYS A 24 20.914 -31.006 -3.632 1.00 61.04 H new ATOM 0 HG3 LYS A 24 22.072 -30.135 -2.646 1.00 61.04 H new ATOM 0 HD2 LYS A 24 19.459 -31.204 -1.523 1.00 61.32 H new ATOM 0 HD3 LYS A 24 20.925 -32.164 -1.564 1.00 61.32 H new ATOM 0 HE2 LYS A 24 22.105 -30.512 -0.188 1.00 40.22 H new ATOM 0 HE3 LYS A 24 20.731 -29.426 -0.246 1.00 40.22 H new ATOM 0 HZ1 LYS A 24 20.789 -30.655 1.824 1.00 25.24 H new ATOM 0 HZ2 LYS A 24 19.407 -31.082 0.935 1.00 25.24 H new ATOM 0 HZ3 LYS A 24 20.739 -32.134 0.992 1.00 25.24 H new ATOM 338 N LEU A 25 21.586 -27.682 -6.102 1.00 75.11 N ATOM 339 CA LEU A 25 21.716 -28.011 -7.517 1.00 44.44 C ATOM 340 C LEU A 25 22.994 -27.413 -8.099 1.00 74.22 C ATOM 341 O LEU A 25 23.693 -26.648 -7.434 1.00 72.21 O ATOM 342 CB LEU A 25 20.501 -27.500 -8.294 1.00 64.41 C ATOM 343 CG LEU A 25 20.057 -26.071 -7.982 1.00 41.00 C ATOM 344 CD1 LEU A 25 20.979 -25.066 -8.656 1.00 32.41 C ATOM 345 CD2 LEU A 25 18.616 -25.853 -8.420 1.00 1.21 C ATOM 0 H LEU A 25 21.970 -26.773 -5.843 1.00 75.11 H new ATOM 0 HA LEU A 25 21.768 -29.096 -7.609 1.00 44.44 H new ATOM 0 HB2 LEU A 25 20.722 -27.566 -9.359 1.00 64.41 H new ATOM 0 HB3 LEU A 25 19.663 -28.170 -8.100 1.00 64.41 H new ATOM 0 HG LEU A 25 20.115 -25.920 -6.904 1.00 41.00 H new ATOM 0 HD11 LEU A 25 20.647 -24.054 -8.423 1.00 32.41 H new ATOM 0 HD12 LEU A 25 21.997 -25.207 -8.294 1.00 32.41 H new ATOM 0 HD13 LEU A 25 20.954 -25.216 -9.735 1.00 32.41 H new ATOM 0 HD21 LEU A 25 18.317 -24.830 -8.190 1.00 1.21 H new ATOM 0 HD22 LEU A 25 18.532 -26.023 -9.493 1.00 1.21 H new ATOM 0 HD23 LEU A 25 17.966 -26.549 -7.891 1.00 1.21 H new ATOM 357 N HIS A 26 23.291 -27.766 -9.346 1.00 4.12 N ATOM 358 CA HIS A 26 24.483 -27.262 -10.019 1.00 24.22 C ATOM 359 C HIS A 26 24.552 -25.740 -9.935 1.00 63.33 C ATOM 360 O HIS A 26 23.533 -25.056 -10.025 1.00 34.12 O ATOM 361 CB HIS A 26 24.494 -27.705 -11.482 1.00 63.31 C ATOM 362 CG HIS A 26 25.134 -29.042 -11.698 1.00 44.04 C ATOM 363 ND1 HIS A 26 26.425 -29.331 -11.307 1.00 14.22 N ATOM 364 CD2 HIS A 26 24.654 -30.172 -12.268 1.00 52.10 C ATOM 365 CE1 HIS A 26 26.711 -30.580 -11.628 1.00 15.02 C ATOM 366 NE2 HIS A 26 25.652 -31.113 -12.212 1.00 5.31 N ATOM 0 H HIS A 26 22.723 -28.398 -9.910 1.00 4.12 H new ATOM 0 HA HIS A 26 25.357 -27.676 -9.516 1.00 24.22 H new ATOM 0 HB2 HIS A 26 23.469 -27.738 -11.851 1.00 63.31 H new ATOM 0 HB3 HIS A 26 25.022 -26.958 -12.075 1.00 63.31 H new ATOM 0 HD2 HIS A 26 23.669 -30.308 -12.689 1.00 52.10 H new ATOM 0 HE1 HIS A 26 27.650 -31.080 -11.444 1.00 15.02 H new ATOM 0 HE2 HIS A 26 25.587 -32.068 -12.564 1.00 5.31 H new ATOM 374 N LYS A 27 25.761 -25.216 -9.762 1.00 71.24 N ATOM 375 CA LYS A 27 25.964 -23.776 -9.667 1.00 42.50 C ATOM 376 C LYS A 27 25.741 -23.104 -11.018 1.00 44.04 C ATOM 377 O LYS A 27 25.599 -21.885 -11.101 1.00 5.34 O ATOM 378 CB LYS A 27 27.376 -23.471 -9.161 1.00 61.30 C ATOM 379 CG LYS A 27 27.593 -23.841 -7.704 1.00 14.43 C ATOM 380 CD LYS A 27 27.975 -25.303 -7.550 1.00 23.10 C ATOM 381 CE LYS A 27 28.699 -25.555 -6.236 1.00 43.42 C ATOM 382 NZ LYS A 27 27.822 -25.296 -5.061 1.00 41.40 N ATOM 0 H LYS A 27 26.615 -25.768 -9.685 1.00 71.24 H new ATOM 0 HA LYS A 27 25.237 -23.378 -8.959 1.00 42.50 H new ATOM 0 HB2 LYS A 27 28.097 -24.010 -9.775 1.00 61.30 H new ATOM 0 HB3 LYS A 27 27.578 -22.408 -9.291 1.00 61.30 H new ATOM 0 HG2 LYS A 27 28.377 -23.213 -7.281 1.00 14.43 H new ATOM 0 HG3 LYS A 27 26.684 -23.640 -7.138 1.00 14.43 H new ATOM 0 HD2 LYS A 27 27.078 -25.921 -7.597 1.00 23.10 H new ATOM 0 HD3 LYS A 27 28.613 -25.603 -8.381 1.00 23.10 H new ATOM 0 HE2 LYS A 27 29.050 -26.587 -6.207 1.00 43.42 H new ATOM 0 HE3 LYS A 27 29.581 -24.917 -6.179 1.00 43.42 H new ATOM 0 HZ1 LYS A 27 28.341 -25.512 -4.186 1.00 41.40 H new ATOM 0 HZ2 LYS A 27 27.535 -24.296 -5.056 1.00 41.40 H new ATOM 0 HZ3 LYS A 27 26.977 -25.899 -5.119 1.00 41.40 H new ATOM 396 N GLY A 28 25.711 -23.909 -12.076 1.00 54.24 N ATOM 397 CA GLY A 28 25.503 -23.374 -13.409 1.00 42.04 C ATOM 398 C GLY A 28 24.045 -23.072 -13.693 1.00 31.42 C ATOM 399 O GLY A 28 23.729 -22.244 -14.547 1.00 63.10 O ATOM 0 H GLY A 28 25.827 -24.922 -12.034 1.00 54.24 H new ATOM 0 HA2 GLY A 28 26.089 -22.462 -13.527 1.00 42.04 H new ATOM 0 HA3 GLY A 28 25.873 -24.088 -14.145 1.00 42.04 H new ATOM 403 N VAL A 29 23.152 -23.747 -12.975 1.00 64.43 N ATOM 404 CA VAL A 29 21.719 -23.548 -13.154 1.00 42.12 C ATOM 405 C VAL A 29 21.266 -22.232 -12.532 1.00 34.23 C ATOM 406 O VAL A 29 20.567 -21.441 -13.165 1.00 53.12 O ATOM 407 CB VAL A 29 20.910 -24.702 -12.534 1.00 21.40 C ATOM 408 CG1 VAL A 29 19.418 -24.455 -12.694 1.00 72.21 C ATOM 409 CG2 VAL A 29 21.309 -26.029 -13.161 1.00 64.55 C ATOM 0 H VAL A 29 23.396 -24.436 -12.264 1.00 64.43 H new ATOM 0 HA VAL A 29 21.534 -23.522 -14.228 1.00 42.12 H new ATOM 0 HB VAL A 29 21.134 -24.748 -11.468 1.00 21.40 H new ATOM 0 HG11 VAL A 29 18.863 -25.281 -12.250 1.00 72.21 H new ATOM 0 HG12 VAL A 29 19.147 -23.525 -12.194 1.00 72.21 H new ATOM 0 HG13 VAL A 29 19.173 -24.381 -13.754 1.00 72.21 H new ATOM 0 HG21 VAL A 29 20.727 -26.834 -12.711 1.00 64.55 H new ATOM 0 HG22 VAL A 29 21.116 -25.997 -14.233 1.00 64.55 H new ATOM 0 HG23 VAL A 29 22.370 -26.208 -12.989 1.00 64.55 H new ATOM 419 N LYS A 30 21.668 -22.004 -11.286 1.00 50.42 N ATOM 420 CA LYS A 30 21.305 -20.783 -10.576 1.00 43.34 C ATOM 421 C LYS A 30 21.703 -19.548 -11.379 1.00 71.11 C ATOM 422 O LYS A 30 21.097 -18.485 -11.243 1.00 44.31 O ATOM 423 CB LYS A 30 21.977 -20.749 -9.202 1.00 3.41 C ATOM 424 CG LYS A 30 23.474 -20.496 -9.263 1.00 12.14 C ATOM 425 CD LYS A 30 23.813 -19.062 -8.892 1.00 14.21 C ATOM 426 CE LYS A 30 25.188 -18.962 -8.250 1.00 31.11 C ATOM 427 NZ LYS A 30 25.995 -17.856 -8.836 1.00 15.24 N ATOM 0 H LYS A 30 22.246 -22.649 -10.747 1.00 50.42 H new ATOM 0 HA LYS A 30 20.223 -20.777 -10.445 1.00 43.34 H new ATOM 0 HB2 LYS A 30 21.510 -19.971 -8.598 1.00 3.41 H new ATOM 0 HB3 LYS A 30 21.798 -21.697 -8.696 1.00 3.41 H new ATOM 0 HG2 LYS A 30 23.987 -21.179 -8.586 1.00 12.14 H new ATOM 0 HG3 LYS A 30 23.839 -20.709 -10.268 1.00 12.14 H new ATOM 0 HD2 LYS A 30 23.781 -18.437 -9.784 1.00 14.21 H new ATOM 0 HD3 LYS A 30 23.061 -18.675 -8.205 1.00 14.21 H new ATOM 0 HE2 LYS A 30 25.077 -18.802 -7.178 1.00 31.11 H new ATOM 0 HE3 LYS A 30 25.718 -19.906 -8.378 1.00 31.11 H new ATOM 0 HZ1 LYS A 30 26.715 -17.551 -8.150 1.00 15.24 H new ATOM 0 HZ2 LYS A 30 26.462 -18.189 -9.703 1.00 15.24 H new ATOM 0 HZ3 LYS A 30 25.372 -17.055 -9.064 1.00 15.24 H new ATOM 441 N LYS A 31 22.723 -19.696 -12.217 1.00 63.20 N ATOM 442 CA LYS A 31 23.201 -18.595 -13.044 1.00 53.54 C ATOM 443 C LYS A 31 22.059 -17.988 -13.854 1.00 1.20 C ATOM 444 O LYS A 31 22.088 -16.806 -14.195 1.00 74.34 O ATOM 445 CB LYS A 31 24.306 -19.078 -13.985 1.00 64.23 C ATOM 446 CG LYS A 31 25.656 -18.433 -13.720 1.00 72.32 C ATOM 447 CD LYS A 31 26.389 -19.122 -12.581 1.00 53.20 C ATOM 448 CE LYS A 31 27.609 -19.879 -13.081 1.00 22.53 C ATOM 449 NZ LYS A 31 28.629 -20.056 -12.010 1.00 61.01 N ATOM 0 H LYS A 31 23.235 -20.569 -12.341 1.00 63.20 H new ATOM 0 HA LYS A 31 23.605 -17.827 -12.384 1.00 53.54 H new ATOM 0 HB2 LYS A 31 24.405 -20.159 -13.891 1.00 64.23 H new ATOM 0 HB3 LYS A 31 24.011 -18.873 -15.014 1.00 64.23 H new ATOM 0 HG2 LYS A 31 26.264 -18.475 -14.624 1.00 72.32 H new ATOM 0 HG3 LYS A 31 25.516 -17.379 -13.479 1.00 72.32 H new ATOM 0 HD2 LYS A 31 26.697 -18.381 -11.844 1.00 53.20 H new ATOM 0 HD3 LYS A 31 25.713 -19.812 -12.076 1.00 53.20 H new ATOM 0 HE2 LYS A 31 27.302 -20.856 -13.455 1.00 22.53 H new ATOM 0 HE3 LYS A 31 28.052 -19.341 -13.919 1.00 22.53 H new ATOM 0 HZ1 LYS A 31 29.445 -20.576 -12.390 1.00 61.01 H new ATOM 0 HZ2 LYS A 31 28.941 -19.124 -11.670 1.00 61.01 H new ATOM 0 HZ3 LYS A 31 28.214 -20.591 -11.221 1.00 61.01 H new ATOM 463 N ASN A 32 21.055 -18.804 -14.156 1.00 71.34 N ATOM 464 CA ASN A 32 19.903 -18.347 -14.925 1.00 40.01 C ATOM 465 C ASN A 32 18.962 -17.519 -14.055 1.00 45.31 C ATOM 466 O ASN A 32 18.310 -16.592 -14.537 1.00 34.42 O ATOM 467 CB ASN A 32 19.151 -19.541 -15.515 1.00 74.42 C ATOM 468 CG ASN A 32 18.209 -19.137 -16.633 1.00 13.33 C ATOM 469 OD1 ASN A 32 17.017 -18.925 -16.409 1.00 12.23 O ATOM 470 ND2 ASN A 32 18.741 -19.028 -17.844 1.00 52.34 N ATOM 0 H ASN A 32 21.015 -19.785 -13.880 1.00 71.34 H new ATOM 0 HA ASN A 32 20.267 -17.718 -15.737 1.00 40.01 H new ATOM 0 HB2 ASN A 32 19.869 -20.268 -15.894 1.00 74.42 H new ATOM 0 HB3 ASN A 32 18.584 -20.035 -14.726 1.00 74.42 H new ATOM 0 HD21 ASN A 32 18.157 -18.759 -18.635 1.00 52.34 H new ATOM 0 HD22 ASN A 32 19.734 -19.213 -17.983 1.00 52.34 H new ATOM 477 N ILE A 33 18.899 -17.858 -12.772 1.00 64.41 N ATOM 478 CA ILE A 33 18.040 -17.145 -11.835 1.00 25.21 C ATOM 479 C ILE A 33 18.311 -15.645 -11.874 1.00 55.11 C ATOM 480 O ILE A 33 17.387 -14.842 -11.999 1.00 12.33 O ATOM 481 CB ILE A 33 18.236 -17.653 -10.394 1.00 74.11 C ATOM 482 CG1 ILE A 33 17.994 -19.162 -10.325 1.00 31.40 C ATOM 483 CG2 ILE A 33 17.304 -16.918 -9.443 1.00 14.24 C ATOM 484 CD1 ILE A 33 16.586 -19.567 -10.704 1.00 4.13 C ATOM 0 H ILE A 33 19.433 -18.622 -12.358 1.00 64.41 H new ATOM 0 HA ILE A 33 17.011 -17.334 -12.142 1.00 25.21 H new ATOM 0 HB ILE A 33 19.264 -17.455 -10.091 1.00 74.11 H new ATOM 0 HG12 ILE A 33 18.699 -19.665 -10.987 1.00 31.40 H new ATOM 0 HG13 ILE A 33 18.203 -19.509 -9.313 1.00 31.40 H new ATOM 0 HG21 ILE A 33 17.454 -17.288 -8.429 1.00 14.24 H new ATOM 0 HG22 ILE A 33 17.519 -15.850 -9.476 1.00 14.24 H new ATOM 0 HG23 ILE A 33 16.270 -17.089 -9.742 1.00 14.24 H new ATOM 0 HD11 ILE A 33 16.487 -20.650 -10.632 1.00 4.13 H new ATOM 0 HD12 ILE A 33 15.876 -19.092 -10.027 1.00 4.13 H new ATOM 0 HD13 ILE A 33 16.379 -19.251 -11.726 1.00 4.13 H new ATOM 496 N GLU A 34 19.583 -15.275 -11.769 1.00 21.24 N ATOM 497 CA GLU A 34 19.974 -13.871 -11.793 1.00 43.31 C ATOM 498 C GLU A 34 19.426 -13.175 -13.035 1.00 51.25 C ATOM 499 O GLU A 34 19.184 -11.968 -13.028 1.00 43.41 O ATOM 500 CB GLU A 34 21.499 -13.742 -11.754 1.00 75.11 C ATOM 501 CG GLU A 34 22.167 -14.017 -13.091 1.00 30.45 C ATOM 502 CD GLU A 34 23.521 -14.683 -12.939 1.00 60.14 C ATOM 503 OE1 GLU A 34 24.030 -14.741 -11.801 1.00 24.41 O ATOM 504 OE2 GLU A 34 24.071 -15.146 -13.961 1.00 20.03 O ATOM 0 H GLU A 34 20.360 -15.928 -11.667 1.00 21.24 H new ATOM 0 HA GLU A 34 19.553 -13.388 -10.911 1.00 43.31 H new ATOM 0 HB2 GLU A 34 21.762 -12.736 -11.426 1.00 75.11 H new ATOM 0 HB3 GLU A 34 21.895 -14.434 -11.010 1.00 75.11 H new ATOM 0 HG2 GLU A 34 21.519 -14.653 -13.693 1.00 30.45 H new ATOM 0 HG3 GLU A 34 22.286 -13.079 -13.633 1.00 30.45 H new ATOM 511 N ASP A 35 19.233 -13.945 -14.101 1.00 14.34 N ATOM 512 CA ASP A 35 18.712 -13.404 -15.351 1.00 4.51 C ATOM 513 C ASP A 35 17.278 -12.916 -15.177 1.00 14.44 C ATOM 514 O ASP A 35 16.936 -11.802 -15.578 1.00 71.43 O ATOM 515 CB ASP A 35 18.774 -14.461 -16.454 1.00 20.20 C ATOM 516 CG ASP A 35 18.857 -13.850 -17.839 1.00 11.53 C ATOM 517 OD1 ASP A 35 18.041 -12.954 -18.141 1.00 71.21 O ATOM 518 OD2 ASP A 35 19.737 -14.267 -18.620 1.00 44.33 O ATOM 0 H ASP A 35 19.430 -14.946 -14.124 1.00 14.34 H new ATOM 0 HA ASP A 35 19.333 -12.555 -15.637 1.00 4.51 H new ATOM 0 HB2 ASP A 35 19.640 -15.102 -16.290 1.00 20.20 H new ATOM 0 HB3 ASP A 35 17.891 -15.097 -16.393 1.00 20.20 H new ATOM 523 N LEU A 36 16.441 -13.755 -14.576 1.00 64.44 N ATOM 524 CA LEU A 36 15.042 -13.410 -14.350 1.00 23.45 C ATOM 525 C LEU A 36 14.923 -12.173 -13.466 1.00 50.42 C ATOM 526 O LEU A 36 14.071 -11.313 -13.695 1.00 73.10 O ATOM 527 CB LEU A 36 14.305 -14.585 -13.704 1.00 2.25 C ATOM 528 CG LEU A 36 12.921 -14.902 -14.271 1.00 22.53 C ATOM 529 CD1 LEU A 36 12.524 -16.333 -13.940 1.00 43.22 C ATOM 530 CD2 LEU A 36 11.887 -13.923 -13.735 1.00 5.32 C ATOM 0 H LEU A 36 16.707 -14.679 -14.236 1.00 64.44 H new ATOM 0 HA LEU A 36 14.587 -13.190 -15.315 1.00 23.45 H new ATOM 0 HB2 LEU A 36 14.927 -15.475 -13.799 1.00 2.25 H new ATOM 0 HB3 LEU A 36 14.201 -14.381 -12.638 1.00 2.25 H new ATOM 0 HG LEU A 36 12.962 -14.799 -15.355 1.00 22.53 H new ATOM 0 HD11 LEU A 36 11.536 -16.541 -14.351 1.00 43.22 H new ATOM 0 HD12 LEU A 36 13.250 -17.021 -14.373 1.00 43.22 H new ATOM 0 HD13 LEU A 36 12.501 -16.463 -12.858 1.00 43.22 H new ATOM 0 HD21 LEU A 36 10.908 -14.164 -14.150 1.00 5.32 H new ATOM 0 HD22 LEU A 36 11.848 -13.994 -12.648 1.00 5.32 H new ATOM 0 HD23 LEU A 36 12.163 -12.909 -14.023 1.00 5.32 H new ATOM 542 N LEU A 37 15.783 -12.087 -12.458 1.00 4.23 N ATOM 543 CA LEU A 37 15.776 -10.952 -11.541 1.00 25.45 C ATOM 544 C LEU A 37 16.266 -9.686 -12.237 1.00 34.34 C ATOM 545 O LEU A 37 15.800 -8.585 -11.945 1.00 14.30 O ATOM 546 CB LEU A 37 16.654 -11.250 -10.323 1.00 73.23 C ATOM 547 CG LEU A 37 16.932 -10.070 -9.392 1.00 5.10 C ATOM 548 CD1 LEU A 37 15.675 -9.684 -8.628 1.00 63.20 C ATOM 549 CD2 LEU A 37 18.062 -10.406 -8.429 1.00 40.51 C ATOM 0 H LEU A 37 16.494 -12.789 -12.254 1.00 4.23 H new ATOM 0 HA LEU A 37 14.750 -10.789 -11.211 1.00 25.45 H new ATOM 0 HB2 LEU A 37 16.179 -12.041 -9.743 1.00 73.23 H new ATOM 0 HB3 LEU A 37 17.608 -11.642 -10.675 1.00 73.23 H new ATOM 0 HG LEU A 37 17.239 -9.218 -9.999 1.00 5.10 H new ATOM 0 HD11 LEU A 37 15.893 -8.842 -7.971 1.00 63.20 H new ATOM 0 HD12 LEU A 37 14.893 -9.401 -9.333 1.00 63.20 H new ATOM 0 HD13 LEU A 37 15.337 -10.532 -8.032 1.00 63.20 H new ATOM 0 HD21 LEU A 37 18.247 -9.555 -7.774 1.00 40.51 H new ATOM 0 HD22 LEU A 37 17.783 -11.272 -7.829 1.00 40.51 H new ATOM 0 HD23 LEU A 37 18.966 -10.632 -8.994 1.00 40.51 H new ATOM 561 N LYS A 38 17.207 -9.851 -13.160 1.00 74.11 N ATOM 562 CA LYS A 38 17.757 -8.723 -13.902 1.00 5.14 C ATOM 563 C LYS A 38 16.648 -7.913 -14.564 1.00 75.44 C ATOM 564 O LYS A 38 16.657 -6.684 -14.527 1.00 3.45 O ATOM 565 CB LYS A 38 18.746 -9.216 -14.961 1.00 33.11 C ATOM 566 CG LYS A 38 19.585 -8.108 -15.573 1.00 55.41 C ATOM 567 CD LYS A 38 20.906 -8.637 -16.104 1.00 41.12 C ATOM 568 CE LYS A 38 21.424 -7.788 -17.255 1.00 64.10 C ATOM 569 NZ LYS A 38 22.186 -6.603 -16.771 1.00 75.13 N ATOM 0 H LYS A 38 17.605 -10.756 -13.412 1.00 74.11 H new ATOM 0 HA LYS A 38 18.281 -8.078 -13.197 1.00 5.14 H new ATOM 0 HB2 LYS A 38 19.408 -9.955 -14.511 1.00 33.11 H new ATOM 0 HB3 LYS A 38 18.195 -9.722 -15.753 1.00 33.11 H new ATOM 0 HG2 LYS A 38 19.030 -7.635 -16.383 1.00 55.41 H new ATOM 0 HG3 LYS A 38 19.775 -7.338 -14.825 1.00 55.41 H new ATOM 0 HD2 LYS A 38 21.643 -8.651 -15.301 1.00 41.12 H new ATOM 0 HD3 LYS A 38 20.779 -9.667 -16.438 1.00 41.12 H new ATOM 0 HE2 LYS A 38 22.065 -8.395 -17.895 1.00 64.10 H new ATOM 0 HE3 LYS A 38 20.586 -7.455 -17.867 1.00 64.10 H new ATOM 0 HZ1 LYS A 38 22.522 -6.050 -17.585 1.00 75.13 H new ATOM 0 HZ2 LYS A 38 21.568 -6.010 -16.181 1.00 75.13 H new ATOM 0 HZ3 LYS A 38 23.001 -6.920 -16.208 1.00 75.13 H new ATOM 583 N GLU A 39 15.692 -8.612 -15.169 1.00 70.14 N ATOM 584 CA GLU A 39 14.575 -7.957 -15.840 1.00 1.44 C ATOM 585 C GLU A 39 13.598 -7.373 -14.823 1.00 52.33 C ATOM 586 O GLU A 39 13.279 -6.183 -14.864 1.00 21.54 O ATOM 587 CB GLU A 39 13.848 -8.946 -16.753 1.00 12.41 C ATOM 588 CG GLU A 39 14.782 -9.778 -17.615 1.00 10.00 C ATOM 589 CD GLU A 39 14.039 -10.764 -18.495 1.00 65.43 C ATOM 590 OE1 GLU A 39 13.615 -11.818 -17.977 1.00 33.31 O ATOM 591 OE2 GLU A 39 13.883 -10.483 -19.702 1.00 23.12 O ATOM 0 H GLU A 39 15.669 -9.631 -15.208 1.00 70.14 H new ATOM 0 HA GLU A 39 14.974 -7.143 -16.445 1.00 1.44 H new ATOM 0 HB2 GLU A 39 13.241 -9.613 -16.141 1.00 12.41 H new ATOM 0 HB3 GLU A 39 13.164 -8.396 -17.399 1.00 12.41 H new ATOM 0 HG2 GLU A 39 15.379 -9.115 -18.242 1.00 10.00 H new ATOM 0 HG3 GLU A 39 15.476 -10.321 -16.973 1.00 10.00 H new ATOM 598 N LEU A 40 13.125 -8.217 -13.913 1.00 61.24 N ATOM 599 CA LEU A 40 12.183 -7.786 -12.886 1.00 23.40 C ATOM 600 C LEU A 40 12.720 -6.577 -12.128 1.00 2.32 C ATOM 601 O LEU A 40 11.954 -5.754 -11.626 1.00 74.04 O ATOM 602 CB LEU A 40 11.904 -8.931 -11.910 1.00 74.15 C ATOM 603 CG LEU A 40 10.726 -9.840 -12.263 1.00 32.44 C ATOM 604 CD1 LEU A 40 9.410 -9.092 -12.115 1.00 5.45 C ATOM 605 CD2 LEU A 40 10.876 -10.384 -13.676 1.00 31.32 C ATOM 0 H LEU A 40 13.378 -9.204 -13.865 1.00 61.24 H new ATOM 0 HA LEU A 40 11.253 -7.500 -13.377 1.00 23.40 H new ATOM 0 HB2 LEU A 40 12.801 -9.545 -11.835 1.00 74.15 H new ATOM 0 HB3 LEU A 40 11.726 -8.505 -10.923 1.00 74.15 H new ATOM 0 HG LEU A 40 10.722 -10.681 -11.570 1.00 32.44 H new ATOM 0 HD11 LEU A 40 8.584 -9.755 -12.371 1.00 5.45 H new ATOM 0 HD12 LEU A 40 9.298 -8.753 -11.085 1.00 5.45 H new ATOM 0 HD13 LEU A 40 9.404 -8.231 -12.783 1.00 5.45 H new ATOM 0 HD21 LEU A 40 10.029 -11.029 -13.910 1.00 31.32 H new ATOM 0 HD22 LEU A 40 10.907 -9.555 -14.383 1.00 31.32 H new ATOM 0 HD23 LEU A 40 11.800 -10.958 -13.749 1.00 31.32 H new ATOM 617 N LYS A 41 14.043 -6.473 -12.050 1.00 35.25 N ATOM 618 CA LYS A 41 14.684 -5.362 -11.356 1.00 72.51 C ATOM 619 C LYS A 41 14.342 -4.034 -12.024 1.00 21.24 C ATOM 620 O LYS A 41 14.236 -3.002 -11.360 1.00 31.44 O ATOM 621 CB LYS A 41 16.202 -5.558 -11.332 1.00 15.53 C ATOM 622 CG LYS A 41 16.698 -6.318 -10.114 1.00 74.22 C ATOM 623 CD LYS A 41 17.076 -5.376 -8.984 1.00 13.22 C ATOM 624 CE LYS A 41 17.906 -6.082 -7.923 1.00 62.44 C ATOM 625 NZ LYS A 41 18.203 -5.192 -6.767 1.00 44.03 N ATOM 0 H LYS A 41 14.692 -7.145 -12.459 1.00 35.25 H new ATOM 0 HA LYS A 41 14.310 -5.340 -10.332 1.00 72.51 H new ATOM 0 HB2 LYS A 41 16.505 -6.093 -12.232 1.00 15.53 H new ATOM 0 HB3 LYS A 41 16.686 -4.582 -11.363 1.00 15.53 H new ATOM 0 HG2 LYS A 41 15.924 -7.005 -9.772 1.00 74.22 H new ATOM 0 HG3 LYS A 41 17.562 -6.923 -10.389 1.00 74.22 H new ATOM 0 HD2 LYS A 41 17.638 -4.532 -9.385 1.00 13.22 H new ATOM 0 HD3 LYS A 41 16.172 -4.970 -8.530 1.00 13.22 H new ATOM 0 HE2 LYS A 41 17.372 -6.966 -7.573 1.00 62.44 H new ATOM 0 HE3 LYS A 41 18.841 -6.428 -8.364 1.00 62.44 H new ATOM 0 HZ1 LYS A 41 18.770 -5.711 -6.066 1.00 44.03 H new ATOM 0 HZ2 LYS A 41 18.735 -4.361 -7.096 1.00 44.03 H new ATOM 0 HZ3 LYS A 41 17.312 -4.882 -6.330 1.00 44.03 H new ATOM 639 N THR A 42 14.169 -4.066 -13.341 1.00 62.34 N ATOM 640 CA THR A 42 13.839 -2.866 -14.098 1.00 50.44 C ATOM 641 C THR A 42 12.365 -2.508 -13.946 1.00 41.43 C ATOM 642 O THR A 42 12.017 -1.344 -13.750 1.00 55.23 O ATOM 643 CB THR A 42 14.162 -3.038 -15.595 1.00 32.33 C ATOM 644 OG1 THR A 42 13.200 -3.905 -16.207 1.00 12.44 O ATOM 645 CG2 THR A 42 15.559 -3.609 -15.784 1.00 70.34 C ATOM 0 H THR A 42 14.252 -4.911 -13.906 1.00 62.34 H new ATOM 0 HA THR A 42 14.450 -2.059 -13.693 1.00 50.44 H new ATOM 0 HB THR A 42 14.120 -2.057 -16.069 1.00 32.33 H new ATOM 0 HG1 THR A 42 13.271 -4.801 -15.816 1.00 12.44 H new ATOM 0 HG21 THR A 42 15.765 -3.722 -16.848 1.00 70.34 H new ATOM 0 HG22 THR A 42 16.291 -2.933 -15.342 1.00 70.34 H new ATOM 0 HG23 THR A 42 15.623 -4.582 -15.297 1.00 70.34 H new ATOM 653 N MET A 43 11.504 -3.516 -14.037 1.00 53.41 N ATOM 654 CA MET A 43 10.066 -3.306 -13.907 1.00 63.13 C ATOM 655 C MET A 43 9.727 -2.685 -12.556 1.00 23.31 C ATOM 656 O MET A 43 8.947 -1.738 -12.476 1.00 51.32 O ATOM 657 CB MET A 43 9.319 -4.630 -14.075 1.00 61.42 C ATOM 658 CG MET A 43 9.077 -5.012 -15.527 1.00 14.34 C ATOM 659 SD MET A 43 10.570 -5.599 -16.349 1.00 72.21 S ATOM 660 CE MET A 43 9.890 -6.859 -17.426 1.00 11.22 C ATOM 0 H MET A 43 11.776 -4.485 -14.200 1.00 53.41 H new ATOM 0 HA MET A 43 9.752 -2.618 -14.692 1.00 63.13 H new ATOM 0 HB2 MET A 43 9.888 -5.423 -13.589 1.00 61.42 H new ATOM 0 HB3 MET A 43 8.360 -4.565 -13.560 1.00 61.42 H new ATOM 0 HG2 MET A 43 8.313 -5.788 -15.572 1.00 14.34 H new ATOM 0 HG3 MET A 43 8.686 -4.149 -16.065 1.00 14.34 H new ATOM 0 HE1 MET A 43 10.387 -7.810 -17.233 1.00 11.22 H new ATOM 0 HE2 MET A 43 8.822 -6.962 -17.236 1.00 11.22 H new ATOM 0 HE3 MET A 43 10.047 -6.572 -18.466 1.00 11.22 H new ATOM 670 N ASN A 44 10.319 -3.226 -11.496 1.00 21.41 N ATOM 671 CA ASN A 44 10.079 -2.725 -10.148 1.00 35.55 C ATOM 672 C ASN A 44 10.605 -1.302 -9.994 1.00 4.10 C ATOM 673 O ASN A 44 9.864 -0.391 -9.625 1.00 24.42 O ATOM 674 CB ASN A 44 10.741 -3.640 -9.115 1.00 72.44 C ATOM 675 CG ASN A 44 10.548 -3.145 -7.695 1.00 53.02 C ATOM 676 OD1 ASN A 44 11.494 -3.095 -6.909 1.00 41.34 O ATOM 677 ND2 ASN A 44 9.317 -2.776 -7.360 1.00 31.34 N ATOM 0 H ASN A 44 10.968 -4.011 -11.545 1.00 21.41 H new ATOM 0 HA ASN A 44 9.002 -2.716 -9.978 1.00 35.55 H new ATOM 0 HB2 ASN A 44 10.328 -4.644 -9.206 1.00 72.44 H new ATOM 0 HB3 ASN A 44 11.807 -3.713 -9.329 1.00 72.44 H new ATOM 0 HD21 ASN A 44 9.126 -2.434 -6.418 1.00 31.34 H new ATOM 0 HD22 ASN A 44 8.563 -2.834 -8.044 1.00 31.34 H new ATOM 684 N ALA A 45 11.890 -1.118 -10.281 1.00 20.14 N ATOM 685 CA ALA A 45 12.516 0.194 -10.177 1.00 54.31 C ATOM 686 C ALA A 45 11.800 1.214 -11.056 1.00 42.34 C ATOM 687 O ALA A 45 11.816 2.412 -10.773 1.00 63.21 O ATOM 688 CB ALA A 45 13.987 0.109 -10.555 1.00 21.13 C ATOM 0 H ALA A 45 12.517 -1.862 -10.587 1.00 20.14 H new ATOM 0 HA ALA A 45 12.437 0.526 -9.142 1.00 54.31 H new ATOM 0 HB1 ALA A 45 14.441 1.096 -10.473 1.00 21.13 H new ATOM 0 HB2 ALA A 45 14.496 -0.582 -9.883 1.00 21.13 H new ATOM 0 HB3 ALA A 45 14.079 -0.248 -11.581 1.00 21.13 H new ATOM 694 N ALA A 46 11.174 0.732 -12.125 1.00 31.14 N ATOM 695 CA ALA A 46 10.452 1.602 -13.044 1.00 73.15 C ATOM 696 C ALA A 46 9.347 2.367 -12.323 1.00 41.14 C ATOM 697 O ALA A 46 9.237 3.587 -12.452 1.00 5.34 O ATOM 698 CB ALA A 46 9.871 0.790 -14.193 1.00 10.02 C ATOM 0 H ALA A 46 11.153 -0.257 -12.375 1.00 31.14 H new ATOM 0 HA ALA A 46 11.158 2.329 -13.447 1.00 73.15 H new ATOM 0 HB1 ALA A 46 9.334 1.453 -14.872 1.00 10.02 H new ATOM 0 HB2 ALA A 46 10.678 0.294 -14.732 1.00 10.02 H new ATOM 0 HB3 ALA A 46 9.184 0.041 -13.799 1.00 10.02 H new ATOM 704 N LEU A 47 8.530 1.644 -11.566 1.00 61.50 N ATOM 705 CA LEU A 47 7.433 2.255 -10.824 1.00 75.44 C ATOM 706 C LEU A 47 7.946 3.351 -9.897 1.00 50.51 C ATOM 707 O LEU A 47 7.209 4.272 -9.541 1.00 23.43 O ATOM 708 CB LEU A 47 6.686 1.194 -10.014 1.00 32.23 C ATOM 709 CG LEU A 47 7.317 0.803 -8.677 1.00 2.10 C ATOM 710 CD1 LEU A 47 6.649 1.549 -7.533 1.00 11.23 C ATOM 711 CD2 LEU A 47 7.224 -0.701 -8.462 1.00 53.43 C ATOM 0 H LEU A 47 8.606 0.634 -11.450 1.00 61.50 H new ATOM 0 HA LEU A 47 6.747 2.704 -11.542 1.00 75.44 H new ATOM 0 HB2 LEU A 47 5.675 1.555 -9.824 1.00 32.23 H new ATOM 0 HB3 LEU A 47 6.594 0.297 -10.626 1.00 32.23 H new ATOM 0 HG LEU A 47 8.370 1.082 -8.699 1.00 2.10 H new ATOM 0 HD11 LEU A 47 7.111 1.258 -6.590 1.00 11.23 H new ATOM 0 HD12 LEU A 47 6.769 2.622 -7.680 1.00 11.23 H new ATOM 0 HD13 LEU A 47 5.588 1.302 -7.508 1.00 11.23 H new ATOM 0 HD21 LEU A 47 7.678 -0.961 -7.506 1.00 53.43 H new ATOM 0 HD22 LEU A 47 6.177 -1.004 -8.461 1.00 53.43 H new ATOM 0 HD23 LEU A 47 7.750 -1.217 -9.265 1.00 53.43 H new ATOM 723 N ILE A 48 9.213 3.248 -9.512 1.00 44.21 N ATOM 724 CA ILE A 48 9.826 4.233 -8.629 1.00 52.34 C ATOM 725 C ILE A 48 10.114 5.533 -9.372 1.00 51.43 C ATOM 726 O ILE A 48 9.847 6.623 -8.866 1.00 12.41 O ATOM 727 CB ILE A 48 11.136 3.704 -8.018 1.00 22.53 C ATOM 728 CG1 ILE A 48 10.929 2.297 -7.452 1.00 54.11 C ATOM 729 CG2 ILE A 48 11.635 4.648 -6.934 1.00 73.10 C ATOM 730 CD1 ILE A 48 9.858 2.227 -6.386 1.00 72.40 C ATOM 0 H ILE A 48 9.836 2.492 -9.798 1.00 44.21 H new ATOM 0 HA ILE A 48 9.113 4.425 -7.828 1.00 52.34 H new ATOM 0 HB ILE A 48 11.890 3.653 -8.803 1.00 22.53 H new ATOM 0 HG12 ILE A 48 10.665 1.622 -8.266 1.00 54.11 H new ATOM 0 HG13 ILE A 48 11.870 1.940 -7.034 1.00 54.11 H new ATOM 0 HG21 ILE A 48 12.562 4.260 -6.512 1.00 73.10 H new ATOM 0 HG22 ILE A 48 11.817 5.633 -7.365 1.00 73.10 H new ATOM 0 HG23 ILE A 48 10.884 4.729 -6.148 1.00 73.10 H new ATOM 0 HD11 ILE A 48 9.765 1.201 -6.030 1.00 72.40 H new ATOM 0 HD12 ILE A 48 10.130 2.876 -5.554 1.00 72.40 H new ATOM 0 HD13 ILE A 48 8.906 2.553 -6.805 1.00 72.40 H new ATOM 742 N LYS A 49 10.659 5.411 -10.578 1.00 1.22 N ATOM 743 CA LYS A 49 10.981 6.576 -11.394 1.00 62.31 C ATOM 744 C LYS A 49 9.721 7.170 -12.016 1.00 23.33 C ATOM 745 O LYS A 49 9.473 8.371 -11.910 1.00 43.21 O ATOM 746 CB LYS A 49 11.974 6.194 -12.494 1.00 43.11 C ATOM 747 CG LYS A 49 13.427 6.282 -12.059 1.00 40.45 C ATOM 748 CD LYS A 49 13.866 5.028 -11.323 1.00 70.10 C ATOM 749 CE LYS A 49 15.382 4.911 -11.276 1.00 13.15 C ATOM 750 NZ LYS A 49 15.961 4.661 -12.624 1.00 44.43 N ATOM 0 H LYS A 49 10.887 4.517 -11.012 1.00 1.22 H new ATOM 0 HA LYS A 49 11.435 7.327 -10.748 1.00 62.31 H new ATOM 0 HB2 LYS A 49 11.763 5.177 -12.825 1.00 43.11 H new ATOM 0 HB3 LYS A 49 11.820 6.847 -13.353 1.00 43.11 H new ATOM 0 HG2 LYS A 49 14.061 6.433 -12.933 1.00 40.45 H new ATOM 0 HG3 LYS A 49 13.563 7.150 -11.414 1.00 40.45 H new ATOM 0 HD2 LYS A 49 13.470 5.043 -10.308 1.00 70.10 H new ATOM 0 HD3 LYS A 49 13.447 4.150 -11.816 1.00 70.10 H new ATOM 0 HE2 LYS A 49 15.804 5.827 -10.864 1.00 13.15 H new ATOM 0 HE3 LYS A 49 15.663 4.100 -10.604 1.00 13.15 H new ATOM 0 HZ1 LYS A 49 16.908 4.242 -12.523 1.00 44.43 H new ATOM 0 HZ2 LYS A 49 15.347 4.006 -13.150 1.00 44.43 H new ATOM 0 HZ3 LYS A 49 16.034 5.559 -13.143 1.00 44.43 H new ATOM 764 N ILE A 50 8.929 6.321 -12.662 1.00 21.13 N ATOM 765 CA ILE A 50 7.694 6.763 -13.297 1.00 70.54 C ATOM 766 C ILE A 50 6.637 7.119 -12.257 1.00 44.12 C ATOM 767 O ILE A 50 5.714 7.884 -12.532 1.00 73.21 O ATOM 768 CB ILE A 50 7.128 5.683 -14.238 1.00 72.24 C ATOM 769 CG1 ILE A 50 6.656 4.470 -13.433 1.00 50.25 C ATOM 770 CG2 ILE A 50 8.175 5.271 -15.262 1.00 71.24 C ATOM 771 CD1 ILE A 50 5.150 4.350 -13.349 1.00 25.14 C ATOM 0 H ILE A 50 9.120 5.324 -12.759 1.00 21.13 H new ATOM 0 HA ILE A 50 7.939 7.651 -13.880 1.00 70.54 H new ATOM 0 HB ILE A 50 6.272 6.098 -14.770 1.00 72.24 H new ATOM 0 HG12 ILE A 50 7.060 3.564 -13.885 1.00 50.25 H new ATOM 0 HG13 ILE A 50 7.064 4.532 -12.424 1.00 50.25 H new ATOM 0 HG21 ILE A 50 7.760 4.507 -15.920 1.00 71.24 H new ATOM 0 HG22 ILE A 50 8.467 6.139 -15.853 1.00 71.24 H new ATOM 0 HG23 ILE A 50 9.049 4.871 -14.748 1.00 71.24 H new ATOM 0 HD11 ILE A 50 4.887 3.468 -12.764 1.00 25.14 H new ATOM 0 HD12 ILE A 50 4.740 5.239 -12.869 1.00 25.14 H new ATOM 0 HD13 ILE A 50 4.736 4.256 -14.353 1.00 25.14 H new ATOM 783 N GLY A 51 6.782 6.560 -11.059 1.00 54.33 N ATOM 784 CA GLY A 51 5.834 6.832 -9.995 1.00 14.52 C ATOM 785 C GLY A 51 5.807 8.296 -9.603 1.00 12.44 C ATOM 786 O GLY A 51 4.878 8.749 -8.935 1.00 12.31 O ATOM 0 H GLY A 51 7.539 5.924 -10.807 1.00 54.33 H new ATOM 0 HA2 GLY A 51 4.837 6.526 -10.313 1.00 14.52 H new ATOM 0 HA3 GLY A 51 6.089 6.230 -9.123 1.00 14.52 H new ATOM 790 N GLU A 52 6.830 9.037 -10.017 1.00 52.41 N ATOM 791 CA GLU A 52 6.920 10.458 -9.702 1.00 40.31 C ATOM 792 C GLU A 52 5.721 11.217 -10.264 1.00 2.32 C ATOM 793 O GLU A 52 5.322 12.253 -9.730 1.00 63.34 O ATOM 794 CB GLU A 52 8.217 11.046 -10.261 1.00 43.04 C ATOM 795 CG GLU A 52 8.733 12.240 -9.476 1.00 0.02 C ATOM 796 CD GLU A 52 8.987 11.913 -8.017 1.00 71.11 C ATOM 797 OE1 GLU A 52 9.940 11.158 -7.735 1.00 63.40 O ATOM 798 OE2 GLU A 52 8.231 12.413 -7.157 1.00 44.25 O ATOM 0 H GLU A 52 7.607 8.677 -10.571 1.00 52.41 H new ATOM 0 HA GLU A 52 6.919 10.564 -8.617 1.00 40.31 H new ATOM 0 HB2 GLU A 52 8.983 10.270 -10.271 1.00 43.04 H new ATOM 0 HB3 GLU A 52 8.053 11.346 -11.296 1.00 43.04 H new ATOM 0 HG2 GLU A 52 9.657 12.597 -9.931 1.00 0.02 H new ATOM 0 HG3 GLU A 52 8.010 13.053 -9.542 1.00 0.02 H new ATOM 805 N VAL A 53 5.151 10.695 -11.345 1.00 62.10 N ATOM 806 CA VAL A 53 3.998 11.322 -11.980 1.00 31.32 C ATOM 807 C VAL A 53 2.751 11.184 -11.113 1.00 63.11 C ATOM 808 O VAL A 53 2.612 10.246 -10.327 1.00 54.35 O ATOM 809 CB VAL A 53 3.717 10.709 -13.365 1.00 24.34 C ATOM 810 CG1 VAL A 53 4.950 10.805 -14.251 1.00 32.10 C ATOM 811 CG2 VAL A 53 3.262 9.264 -13.225 1.00 25.20 C ATOM 0 H VAL A 53 5.469 9.839 -11.800 1.00 62.10 H new ATOM 0 HA VAL A 53 4.239 12.378 -12.101 1.00 31.32 H new ATOM 0 HB VAL A 53 2.914 11.275 -13.838 1.00 24.34 H new ATOM 0 HG11 VAL A 53 4.733 10.367 -15.225 1.00 32.10 H new ATOM 0 HG12 VAL A 53 5.227 11.852 -14.377 1.00 32.10 H new ATOM 0 HG13 VAL A 53 5.775 10.265 -13.786 1.00 32.10 H new ATOM 0 HG21 VAL A 53 3.068 8.846 -14.213 1.00 25.20 H new ATOM 0 HG22 VAL A 53 4.042 8.683 -12.732 1.00 25.20 H new ATOM 0 HG23 VAL A 53 2.350 9.226 -12.629 1.00 25.20 H new ATOM 821 N PRO A 54 1.821 12.140 -11.258 1.00 25.22 N ATOM 822 CA PRO A 54 0.568 12.147 -10.497 1.00 64.11 C ATOM 823 C PRO A 54 -0.375 11.028 -10.924 1.00 31.53 C ATOM 824 O PRO A 54 -0.178 10.374 -11.948 1.00 71.51 O ATOM 825 CB PRO A 54 -0.039 13.513 -10.827 1.00 22.23 C ATOM 826 CG PRO A 54 0.537 13.874 -12.152 1.00 63.43 C ATOM 827 CD PRO A 54 1.922 13.287 -12.176 1.00 34.13 C ATOM 0 HA PRO A 54 0.736 11.986 -9.432 1.00 64.11 H new ATOM 0 HB2 PRO A 54 -1.127 13.463 -10.869 1.00 22.23 H new ATOM 0 HB3 PRO A 54 0.217 14.253 -10.069 1.00 22.23 H new ATOM 0 HG2 PRO A 54 -0.071 13.474 -12.964 1.00 63.43 H new ATOM 0 HG3 PRO A 54 0.569 14.956 -12.282 1.00 63.43 H new ATOM 0 HD2 PRO A 54 2.209 12.974 -13.180 1.00 34.13 H new ATOM 0 HD3 PRO A 54 2.669 14.006 -11.840 1.00 34.13 H new ATOM 835 N PRO A 55 -1.426 10.800 -10.121 1.00 43.15 N ATOM 836 CA PRO A 55 -2.421 9.760 -10.397 1.00 14.13 C ATOM 837 C PRO A 55 -3.291 10.095 -11.604 1.00 20.12 C ATOM 838 O PRO A 55 -4.061 9.259 -12.077 1.00 15.24 O ATOM 839 CB PRO A 55 -3.266 9.731 -9.121 1.00 12.24 C ATOM 840 CG PRO A 55 -3.115 11.093 -8.535 1.00 71.23 C ATOM 841 CD PRO A 55 -1.723 11.541 -8.884 1.00 42.22 C ATOM 0 HA PRO A 55 -1.955 8.805 -10.639 1.00 14.13 H new ATOM 0 HB2 PRO A 55 -4.310 9.509 -9.343 1.00 12.24 H new ATOM 0 HB3 PRO A 55 -2.916 8.963 -8.432 1.00 12.24 H new ATOM 0 HG2 PRO A 55 -3.859 11.778 -8.942 1.00 71.23 H new ATOM 0 HG3 PRO A 55 -3.259 11.071 -7.455 1.00 71.23 H new ATOM 0 HD2 PRO A 55 -1.675 12.619 -9.040 1.00 42.22 H new ATOM 0 HD3 PRO A 55 -1.013 11.302 -8.092 1.00 42.22 H new ATOM 849 N ASP A 56 -3.162 11.321 -12.098 1.00 10.32 N ATOM 850 CA ASP A 56 -3.935 11.766 -13.251 1.00 54.04 C ATOM 851 C ASP A 56 -3.414 11.126 -14.534 1.00 74.14 C ATOM 852 O ASP A 56 -4.154 10.972 -15.506 1.00 64.31 O ATOM 853 CB ASP A 56 -3.884 13.290 -13.370 1.00 11.02 C ATOM 854 CG ASP A 56 -5.226 13.887 -13.744 1.00 54.11 C ATOM 855 OD1 ASP A 56 -6.234 13.538 -13.093 1.00 43.03 O ATOM 856 OD2 ASP A 56 -5.270 14.704 -14.687 1.00 45.23 O ATOM 0 H ASP A 56 -2.529 12.025 -11.718 1.00 10.32 H new ATOM 0 HA ASP A 56 -4.970 11.456 -13.105 1.00 54.04 H new ATOM 0 HB2 ASP A 56 -3.552 13.715 -12.422 1.00 11.02 H new ATOM 0 HB3 ASP A 56 -3.144 13.568 -14.120 1.00 11.02 H new ATOM 861 N GLN A 57 -2.138 10.757 -14.529 1.00 65.13 N ATOM 862 CA GLN A 57 -1.518 10.135 -15.694 1.00 1.42 C ATOM 863 C GLN A 57 -1.995 8.696 -15.861 1.00 44.30 C ATOM 864 O GLN A 57 -2.006 8.160 -16.970 1.00 23.33 O ATOM 865 CB GLN A 57 0.006 10.169 -15.566 1.00 20.34 C ATOM 866 CG GLN A 57 0.597 11.563 -15.698 1.00 63.24 C ATOM 867 CD GLN A 57 0.443 12.132 -17.095 1.00 72.31 C ATOM 868 OE1 GLN A 57 0.478 11.399 -18.084 1.00 23.31 O ATOM 869 NE2 GLN A 57 0.270 13.445 -17.184 1.00 13.32 N ATOM 0 H GLN A 57 -1.513 10.877 -13.732 1.00 65.13 H new ATOM 0 HA GLN A 57 -1.814 10.701 -16.577 1.00 1.42 H new ATOM 0 HB2 GLN A 57 0.290 9.753 -14.599 1.00 20.34 H new ATOM 0 HB3 GLN A 57 0.441 9.525 -16.331 1.00 20.34 H new ATOM 0 HG2 GLN A 57 0.112 12.228 -14.983 1.00 63.24 H new ATOM 0 HG3 GLN A 57 1.655 11.531 -15.437 1.00 63.24 H new ATOM 0 HE21 GLN A 57 0.247 14.015 -16.338 1.00 13.32 H new ATOM 0 HE22 GLN A 57 0.160 13.884 -18.098 1.00 13.32 H new ATOM 878 N LEU A 58 -2.387 8.076 -14.754 1.00 13.11 N ATOM 879 CA LEU A 58 -2.865 6.698 -14.777 1.00 72.04 C ATOM 880 C LEU A 58 -4.044 6.547 -15.733 1.00 71.34 C ATOM 881 O LEU A 58 -5.133 7.062 -15.479 1.00 22.13 O ATOM 882 CB LEU A 58 -3.274 6.255 -13.371 1.00 41.14 C ATOM 883 CG LEU A 58 -2.150 5.720 -12.483 1.00 13.10 C ATOM 884 CD1 LEU A 58 -1.598 4.420 -13.046 1.00 20.21 C ATOM 885 CD2 LEU A 58 -1.044 6.755 -12.342 1.00 24.04 C ATOM 0 H LEU A 58 -2.383 8.506 -13.829 1.00 13.11 H new ATOM 0 HA LEU A 58 -2.052 6.063 -15.129 1.00 72.04 H new ATOM 0 HB2 LEU A 58 -3.738 7.102 -12.865 1.00 41.14 H new ATOM 0 HB3 LEU A 58 -4.037 5.482 -13.463 1.00 41.14 H new ATOM 0 HG LEU A 58 -2.559 5.518 -11.493 1.00 13.10 H new ATOM 0 HD11 LEU A 58 -0.799 4.054 -12.401 1.00 20.21 H new ATOM 0 HD12 LEU A 58 -2.394 3.677 -13.094 1.00 20.21 H new ATOM 0 HD13 LEU A 58 -1.204 4.595 -14.047 1.00 20.21 H new ATOM 0 HD21 LEU A 58 -0.252 6.357 -11.707 1.00 24.04 H new ATOM 0 HD22 LEU A 58 -0.637 6.989 -13.326 1.00 24.04 H new ATOM 0 HD23 LEU A 58 -1.449 7.661 -11.892 1.00 24.04 H new ATOM 897 N ASP A 59 -3.820 5.835 -16.833 1.00 1.33 N ATOM 898 CA ASP A 59 -4.864 5.613 -17.826 1.00 34.13 C ATOM 899 C ASP A 59 -5.462 4.217 -17.682 1.00 71.32 C ATOM 900 O ASP A 59 -5.037 3.433 -16.833 1.00 55.11 O ATOM 901 CB ASP A 59 -4.304 5.799 -19.237 1.00 33.23 C ATOM 902 CG ASP A 59 -3.826 7.215 -19.488 1.00 13.52 C ATOM 903 OD1 ASP A 59 -4.670 8.136 -19.480 1.00 21.03 O ATOM 904 OD2 ASP A 59 -2.609 7.404 -19.693 1.00 63.42 O ATOM 0 H ASP A 59 -2.924 5.402 -17.059 1.00 1.33 H new ATOM 0 HA ASP A 59 -5.653 6.346 -17.658 1.00 34.13 H new ATOM 0 HB2 ASP A 59 -3.476 5.107 -19.390 1.00 33.23 H new ATOM 0 HB3 ASP A 59 -5.073 5.543 -19.966 1.00 33.23 H new ATOM 909 N SER A 60 -6.451 3.913 -18.517 1.00 64.03 N ATOM 910 CA SER A 60 -7.110 2.613 -18.480 1.00 53.03 C ATOM 911 C SER A 60 -6.150 1.504 -18.899 1.00 42.24 C ATOM 912 O SER A 60 -6.305 0.351 -18.500 1.00 34.22 O ATOM 913 CB SER A 60 -8.337 2.614 -19.395 1.00 23.31 C ATOM 914 OG SER A 60 -8.914 1.322 -19.475 1.00 12.05 O ATOM 0 H SER A 60 -6.813 4.549 -19.227 1.00 64.03 H new ATOM 0 HA SER A 60 -7.429 2.424 -17.455 1.00 53.03 H new ATOM 0 HB2 SER A 60 -9.075 3.323 -19.019 1.00 23.31 H new ATOM 0 HB3 SER A 60 -8.051 2.951 -20.392 1.00 23.31 H new ATOM 0 HG SER A 60 -9.697 1.349 -20.064 1.00 12.05 H new ATOM 920 N GLN A 61 -5.157 1.864 -19.707 1.00 74.32 N ATOM 921 CA GLN A 61 -4.172 0.900 -20.181 1.00 62.55 C ATOM 922 C GLN A 61 -3.072 0.690 -19.145 1.00 55.33 C ATOM 923 O GLN A 61 -2.437 -0.363 -19.104 1.00 71.41 O ATOM 924 CB GLN A 61 -3.561 1.371 -21.502 1.00 70.44 C ATOM 925 CG GLN A 61 -3.111 0.233 -22.404 1.00 64.14 C ATOM 926 CD GLN A 61 -1.970 0.631 -23.320 1.00 60.23 C ATOM 927 OE1 GLN A 61 -1.761 1.813 -23.593 1.00 1.32 O ATOM 928 NE2 GLN A 61 -1.224 -0.357 -23.801 1.00 73.12 N ATOM 0 H GLN A 61 -5.014 2.815 -20.046 1.00 74.32 H new ATOM 0 HA GLN A 61 -4.680 -0.051 -20.342 1.00 62.55 H new ATOM 0 HB2 GLN A 61 -4.292 1.978 -22.035 1.00 70.44 H new ATOM 0 HB3 GLN A 61 -2.707 2.014 -21.289 1.00 70.44 H new ATOM 0 HG2 GLN A 61 -2.801 -0.612 -21.789 1.00 64.14 H new ATOM 0 HG3 GLN A 61 -3.955 -0.104 -23.006 1.00 64.14 H new ATOM 0 HE21 GLN A 61 -1.433 -1.323 -23.549 1.00 73.12 H new ATOM 0 HE22 GLN A 61 -0.442 -0.150 -24.423 1.00 73.12 H new ATOM 937 N ASP A 62 -2.853 1.700 -18.311 1.00 14.34 N ATOM 938 CA ASP A 62 -1.831 1.627 -17.273 1.00 61.14 C ATOM 939 C ASP A 62 -2.058 0.418 -16.371 1.00 60.01 C ATOM 940 O ASP A 62 -1.133 -0.346 -16.093 1.00 51.24 O ATOM 941 CB ASP A 62 -1.828 2.909 -16.439 1.00 21.53 C ATOM 942 CG ASP A 62 -0.547 3.080 -15.646 1.00 42.55 C ATOM 943 OD1 ASP A 62 -0.279 2.240 -14.762 1.00 5.51 O ATOM 944 OD2 ASP A 62 0.188 4.055 -15.912 1.00 30.54 O ATOM 0 H ASP A 62 -3.369 2.579 -18.333 1.00 14.34 H new ATOM 0 HA ASP A 62 -0.862 1.518 -17.759 1.00 61.14 H new ATOM 0 HB2 ASP A 62 -1.962 3.768 -17.097 1.00 21.53 H new ATOM 0 HB3 ASP A 62 -2.677 2.896 -15.755 1.00 21.53 H new ATOM 949 N LYS A 63 -3.295 0.251 -15.915 1.00 24.41 N ATOM 950 CA LYS A 63 -3.645 -0.865 -15.044 1.00 1.12 C ATOM 951 C LYS A 63 -3.219 -2.193 -15.662 1.00 5.41 C ATOM 952 O LYS A 63 -2.852 -3.130 -14.952 1.00 60.32 O ATOM 953 CB LYS A 63 -5.152 -0.876 -14.775 1.00 45.44 C ATOM 954 CG LYS A 63 -5.980 -1.309 -15.973 1.00 4.22 C ATOM 955 CD LYS A 63 -7.344 -0.639 -15.979 1.00 64.31 C ATOM 956 CE LYS A 63 -8.306 -1.327 -15.023 1.00 75.05 C ATOM 957 NZ LYS A 63 -8.161 -0.822 -13.630 1.00 50.43 N ATOM 0 H LYS A 63 -4.072 0.874 -16.134 1.00 24.41 H new ATOM 0 HA LYS A 63 -3.114 -0.737 -14.101 1.00 1.12 H new ATOM 0 HB2 LYS A 63 -5.359 -1.545 -13.940 1.00 45.44 H new ATOM 0 HB3 LYS A 63 -5.465 0.122 -14.469 1.00 45.44 H new ATOM 0 HG2 LYS A 63 -5.448 -1.063 -16.892 1.00 4.22 H new ATOM 0 HG3 LYS A 63 -6.105 -2.392 -15.958 1.00 4.22 H new ATOM 0 HD2 LYS A 63 -7.237 0.409 -15.698 1.00 64.31 H new ATOM 0 HD3 LYS A 63 -7.756 -0.658 -16.988 1.00 64.31 H new ATOM 0 HE2 LYS A 63 -9.330 -1.169 -15.362 1.00 75.05 H new ATOM 0 HE3 LYS A 63 -8.128 -2.402 -15.040 1.00 75.05 H new ATOM 0 HZ1 LYS A 63 -9.028 -1.028 -13.094 1.00 50.43 H new ATOM 0 HZ2 LYS A 63 -7.352 -1.290 -13.173 1.00 50.43 H new ATOM 0 HZ3 LYS A 63 -8.001 0.205 -13.648 1.00 50.43 H new ATOM 971 N LEU A 64 -3.267 -2.266 -16.987 1.00 53.54 N ATOM 972 CA LEU A 64 -2.884 -3.479 -17.702 1.00 14.44 C ATOM 973 C LEU A 64 -1.369 -3.653 -17.706 1.00 10.43 C ATOM 974 O LEU A 64 -0.863 -4.775 -17.710 1.00 14.03 O ATOM 975 CB LEU A 64 -3.408 -3.435 -19.138 1.00 71.11 C ATOM 976 CG LEU A 64 -4.791 -4.046 -19.367 1.00 52.31 C ATOM 977 CD1 LEU A 64 -5.876 -2.999 -19.168 1.00 34.00 C ATOM 978 CD2 LEU A 64 -4.882 -4.653 -20.759 1.00 53.14 C ATOM 0 H LEU A 64 -3.567 -1.499 -17.589 1.00 53.54 H new ATOM 0 HA LEU A 64 -3.327 -4.331 -17.186 1.00 14.44 H new ATOM 0 HB2 LEU A 64 -3.434 -2.395 -19.462 1.00 71.11 H new ATOM 0 HB3 LEU A 64 -2.694 -3.951 -19.780 1.00 71.11 H new ATOM 0 HG LEU A 64 -4.942 -4.840 -18.636 1.00 52.31 H new ATOM 0 HD11 LEU A 64 -6.853 -3.452 -19.335 1.00 34.00 H new ATOM 0 HD12 LEU A 64 -5.825 -2.611 -18.151 1.00 34.00 H new ATOM 0 HD13 LEU A 64 -5.728 -2.183 -19.875 1.00 34.00 H new ATOM 0 HD21 LEU A 64 -5.873 -5.083 -20.904 1.00 53.14 H new ATOM 0 HD22 LEU A 64 -4.710 -3.878 -21.506 1.00 53.14 H new ATOM 0 HD23 LEU A 64 -4.129 -5.433 -20.866 1.00 53.14 H new ATOM 990 N TRP A 65 -0.651 -2.536 -17.703 1.00 2.43 N ATOM 991 CA TRP A 65 0.808 -2.565 -17.704 1.00 15.21 C ATOM 992 C TRP A 65 1.339 -3.272 -16.462 1.00 32.00 C ATOM 993 O TRP A 65 2.229 -4.117 -16.551 1.00 31.11 O ATOM 994 CB TRP A 65 1.367 -1.143 -17.775 1.00 15.15 C ATOM 995 CG TRP A 65 2.864 -1.095 -17.815 1.00 0.32 C ATOM 996 CD1 TRP A 65 3.696 -1.986 -18.430 1.00 5.33 C ATOM 997 CD2 TRP A 65 3.706 -0.105 -17.214 1.00 10.04 C ATOM 998 NE1 TRP A 65 5.005 -1.610 -18.247 1.00 4.40 N ATOM 999 CE2 TRP A 65 5.038 -0.459 -17.505 1.00 41.41 C ATOM 1000 CE3 TRP A 65 3.465 1.046 -16.460 1.00 15.45 C ATOM 1001 CZ2 TRP A 65 6.122 0.298 -17.067 1.00 14.10 C ATOM 1002 CZ3 TRP A 65 4.541 1.796 -16.025 1.00 40.12 C ATOM 1003 CH2 TRP A 65 5.856 1.420 -16.330 1.00 50.33 C ATOM 0 H TRP A 65 -1.054 -1.599 -17.700 1.00 2.43 H new ATOM 0 HA TRP A 65 1.135 -3.120 -18.583 1.00 15.21 H new ATOM 0 HB2 TRP A 65 0.971 -0.648 -18.662 1.00 15.15 H new ATOM 0 HB3 TRP A 65 1.015 -0.578 -16.911 1.00 15.15 H new ATOM 0 HD1 TRP A 65 3.373 -2.858 -18.979 1.00 5.33 H new ATOM 0 HE1 TRP A 65 5.820 -2.107 -18.606 1.00 4.40 H new ATOM 0 HE3 TRP A 65 2.455 1.345 -16.221 1.00 15.45 H new ATOM 0 HZ2 TRP A 65 7.136 0.010 -17.301 1.00 14.10 H new ATOM 0 HZ3 TRP A 65 4.366 2.687 -15.440 1.00 40.12 H new ATOM 0 HH2 TRP A 65 6.676 2.028 -15.976 1.00 50.33 H new ATOM 1014 N ALA A 66 0.787 -2.921 -15.305 1.00 21.31 N ATOM 1015 CA ALA A 66 1.205 -3.525 -14.045 1.00 54.35 C ATOM 1016 C ALA A 66 0.780 -4.987 -13.970 1.00 61.43 C ATOM 1017 O ALA A 66 1.450 -5.806 -13.341 1.00 20.50 O ATOM 1018 CB ALA A 66 0.631 -2.746 -12.871 1.00 50.42 C ATOM 0 H ALA A 66 0.050 -2.222 -15.214 1.00 21.31 H new ATOM 0 HA ALA A 66 2.293 -3.487 -13.995 1.00 54.35 H new ATOM 0 HB1 ALA A 66 0.951 -3.208 -11.937 1.00 50.42 H new ATOM 0 HB2 ALA A 66 0.988 -1.717 -12.908 1.00 50.42 H new ATOM 0 HB3 ALA A 66 -0.458 -2.755 -12.926 1.00 50.42 H new ATOM 1024 N ASP A 67 -0.336 -5.308 -14.615 1.00 32.41 N ATOM 1025 CA ASP A 67 -0.850 -6.673 -14.621 1.00 61.22 C ATOM 1026 C ASP A 67 0.160 -7.631 -15.245 1.00 23.32 C ATOM 1027 O ASP A 67 0.386 -8.728 -14.734 1.00 44.32 O ATOM 1028 CB ASP A 67 -2.173 -6.739 -15.385 1.00 71.25 C ATOM 1029 CG ASP A 67 -2.602 -8.164 -15.678 1.00 53.51 C ATOM 1030 OD1 ASP A 67 -2.928 -8.895 -14.719 1.00 5.51 O ATOM 1031 OD2 ASP A 67 -2.614 -8.547 -16.866 1.00 43.03 O ATOM 0 H ASP A 67 -0.902 -4.642 -15.140 1.00 32.41 H new ATOM 0 HA ASP A 67 -1.021 -6.975 -13.588 1.00 61.22 H new ATOM 0 HB2 ASP A 67 -2.950 -6.241 -14.805 1.00 71.25 H new ATOM 0 HB3 ASP A 67 -2.075 -6.192 -16.323 1.00 71.25 H new ATOM 1036 N GLU A 68 0.763 -7.209 -16.352 1.00 24.22 N ATOM 1037 CA GLU A 68 1.748 -8.031 -17.045 1.00 72.45 C ATOM 1038 C GLU A 68 2.915 -8.376 -16.125 1.00 10.43 C ATOM 1039 O GLU A 68 3.424 -9.496 -16.142 1.00 24.30 O ATOM 1040 CB GLU A 68 2.263 -7.307 -18.291 1.00 60.31 C ATOM 1041 CG GLU A 68 1.446 -7.590 -19.541 1.00 2.12 C ATOM 1042 CD GLU A 68 1.660 -8.994 -20.072 1.00 54.01 C ATOM 1043 OE1 GLU A 68 2.796 -9.501 -19.966 1.00 70.33 O ATOM 1044 OE2 GLU A 68 0.691 -9.585 -20.594 1.00 23.25 O ATOM 0 H GLU A 68 0.587 -6.304 -16.788 1.00 24.22 H new ATOM 0 HA GLU A 68 1.261 -8.958 -17.347 1.00 72.45 H new ATOM 0 HB2 GLU A 68 2.263 -6.233 -18.103 1.00 60.31 H new ATOM 0 HB3 GLU A 68 3.298 -7.600 -18.469 1.00 60.31 H new ATOM 0 HG2 GLU A 68 0.388 -7.447 -19.320 1.00 2.12 H new ATOM 0 HG3 GLU A 68 1.710 -6.869 -20.314 1.00 2.12 H new ATOM 1051 N VAL A 69 3.334 -7.403 -15.321 1.00 62.13 N ATOM 1052 CA VAL A 69 4.441 -7.602 -14.393 1.00 14.02 C ATOM 1053 C VAL A 69 4.009 -8.441 -13.195 1.00 50.04 C ATOM 1054 O VAL A 69 4.782 -9.247 -12.678 1.00 64.34 O ATOM 1055 CB VAL A 69 4.999 -6.258 -13.889 1.00 43.13 C ATOM 1056 CG1 VAL A 69 6.266 -6.477 -13.076 1.00 13.02 C ATOM 1057 CG2 VAL A 69 5.262 -5.319 -15.057 1.00 71.44 C ATOM 0 H VAL A 69 2.923 -6.470 -15.294 1.00 62.13 H new ATOM 0 HA VAL A 69 5.222 -8.129 -14.940 1.00 14.02 H new ATOM 0 HB VAL A 69 4.255 -5.796 -13.241 1.00 43.13 H new ATOM 0 HG11 VAL A 69 6.646 -5.516 -12.728 1.00 13.02 H new ATOM 0 HG12 VAL A 69 6.043 -7.111 -12.218 1.00 13.02 H new ATOM 0 HG13 VAL A 69 7.019 -6.961 -13.698 1.00 13.02 H new ATOM 0 HG21 VAL A 69 5.656 -4.374 -14.683 1.00 71.44 H new ATOM 0 HG22 VAL A 69 5.988 -5.773 -15.732 1.00 71.44 H new ATOM 0 HG23 VAL A 69 4.331 -5.137 -15.594 1.00 71.44 H new ATOM 1067 N ARG A 70 2.769 -8.246 -12.759 1.00 52.14 N ATOM 1068 CA ARG A 70 2.234 -8.984 -11.622 1.00 31.32 C ATOM 1069 C ARG A 70 2.055 -10.460 -11.967 1.00 12.11 C ATOM 1070 O ARG A 70 2.560 -11.336 -11.266 1.00 72.23 O ATOM 1071 CB ARG A 70 0.896 -8.386 -11.182 1.00 22.51 C ATOM 1072 CG ARG A 70 1.039 -7.151 -10.308 1.00 42.02 C ATOM 1073 CD ARG A 70 1.152 -7.519 -8.837 1.00 53.00 C ATOM 1074 NE ARG A 70 0.571 -6.496 -7.971 1.00 70.40 N ATOM 1075 CZ ARG A 70 -0.736 -6.335 -7.799 1.00 53.12 C ATOM 1076 NH1 ARG A 70 -1.594 -7.125 -8.430 1.00 61.01 N ATOM 1077 NH2 ARG A 70 -1.188 -5.382 -6.994 1.00 51.53 N ATOM 0 H ARG A 70 2.116 -7.583 -13.176 1.00 52.14 H new ATOM 0 HA ARG A 70 2.947 -8.904 -10.801 1.00 31.32 H new ATOM 0 HB2 ARG A 70 0.314 -8.129 -12.067 1.00 22.51 H new ATOM 0 HB3 ARG A 70 0.331 -9.143 -10.638 1.00 22.51 H new ATOM 0 HG2 ARG A 70 1.922 -6.589 -10.612 1.00 42.02 H new ATOM 0 HG3 ARG A 70 0.179 -6.498 -10.456 1.00 42.02 H new ATOM 0 HD2 ARG A 70 0.650 -8.470 -8.662 1.00 53.00 H new ATOM 0 HD3 ARG A 70 2.201 -7.660 -8.578 1.00 53.00 H new ATOM 0 HE ARG A 70 1.204 -5.871 -7.471 1.00 70.40 H new ATOM 0 HH11 ARG A 70 -1.251 -7.859 -9.050 1.00 61.01 H new ATOM 0 HH12 ARG A 70 -2.597 -6.999 -8.296 1.00 61.01 H new ATOM 0 HH21 ARG A 70 -0.531 -4.772 -6.507 1.00 51.53 H new ATOM 0 HH22 ARG A 70 -2.192 -5.259 -6.863 1.00 51.53 H new ATOM 1091 N GLU A 71 1.332 -10.725 -13.051 1.00 21.43 N ATOM 1092 CA GLU A 71 1.086 -12.095 -13.487 1.00 52.31 C ATOM 1093 C GLU A 71 2.395 -12.866 -13.624 1.00 44.04 C ATOM 1094 O GLU A 71 2.454 -14.066 -13.353 1.00 11.03 O ATOM 1095 CB GLU A 71 0.335 -12.101 -14.820 1.00 61.44 C ATOM 1096 CG GLU A 71 1.147 -11.546 -15.979 1.00 31.42 C ATOM 1097 CD GLU A 71 0.396 -11.597 -17.295 1.00 35.11 C ATOM 1098 OE1 GLU A 71 -0.659 -10.937 -17.403 1.00 2.13 O ATOM 1099 OE2 GLU A 71 0.863 -12.298 -18.217 1.00 51.54 O ATOM 0 H GLU A 71 0.907 -10.011 -13.642 1.00 21.43 H new ATOM 0 HA GLU A 71 0.474 -12.586 -12.731 1.00 52.31 H new ATOM 0 HB2 GLU A 71 0.035 -13.123 -15.054 1.00 61.44 H new ATOM 0 HB3 GLU A 71 -0.579 -11.517 -14.715 1.00 61.44 H new ATOM 0 HG2 GLU A 71 1.424 -10.514 -15.763 1.00 31.42 H new ATOM 0 HG3 GLU A 71 2.074 -12.112 -16.072 1.00 31.42 H new ATOM 1106 N LEU A 72 3.444 -12.169 -14.048 1.00 52.12 N ATOM 1107 CA LEU A 72 4.754 -12.787 -14.223 1.00 14.04 C ATOM 1108 C LEU A 72 5.231 -13.427 -12.923 1.00 2.00 C ATOM 1109 O LEU A 72 5.992 -14.395 -12.939 1.00 14.22 O ATOM 1110 CB LEU A 72 5.771 -11.747 -14.696 1.00 71.43 C ATOM 1111 CG LEU A 72 5.855 -11.531 -16.208 1.00 24.23 C ATOM 1112 CD1 LEU A 72 6.742 -10.338 -16.527 1.00 53.55 C ATOM 1113 CD2 LEU A 72 6.376 -12.784 -16.897 1.00 74.04 C ATOM 0 H LEU A 72 3.413 -11.176 -14.277 1.00 52.12 H new ATOM 0 HA LEU A 72 4.663 -13.567 -14.979 1.00 14.04 H new ATOM 0 HB2 LEU A 72 5.531 -10.793 -14.225 1.00 71.43 H new ATOM 0 HB3 LEU A 72 6.757 -12.042 -14.336 1.00 71.43 H new ATOM 0 HG LEU A 72 4.853 -11.324 -16.583 1.00 24.23 H new ATOM 0 HD11 LEU A 72 6.790 -10.199 -17.607 1.00 53.55 H new ATOM 0 HD12 LEU A 72 6.328 -9.442 -16.064 1.00 53.55 H new ATOM 0 HD13 LEU A 72 7.745 -10.516 -16.139 1.00 53.55 H new ATOM 0 HD21 LEU A 72 6.429 -12.613 -17.972 1.00 74.04 H new ATOM 0 HD22 LEU A 72 7.370 -13.021 -16.518 1.00 74.04 H new ATOM 0 HD23 LEU A 72 5.702 -13.617 -16.695 1.00 74.04 H new ATOM 1125 N SER A 73 4.778 -12.881 -11.799 1.00 50.00 N ATOM 1126 CA SER A 73 5.160 -13.398 -10.490 1.00 41.40 C ATOM 1127 C SER A 73 4.903 -14.899 -10.402 1.00 53.21 C ATOM 1128 O SER A 73 5.599 -15.619 -9.686 1.00 44.34 O ATOM 1129 CB SER A 73 4.389 -12.671 -9.387 1.00 12.15 C ATOM 1130 OG SER A 73 4.647 -13.249 -8.119 1.00 35.13 O ATOM 0 H SER A 73 4.146 -12.081 -11.768 1.00 50.00 H new ATOM 0 HA SER A 73 6.227 -13.222 -10.354 1.00 41.40 H new ATOM 0 HB2 SER A 73 4.671 -11.618 -9.375 1.00 12.15 H new ATOM 0 HB3 SER A 73 3.320 -12.712 -9.598 1.00 12.15 H new ATOM 0 HG SER A 73 4.144 -12.766 -7.431 1.00 35.13 H new ATOM 1136 N TYR A 74 3.897 -15.364 -11.135 1.00 42.10 N ATOM 1137 CA TYR A 74 3.545 -16.779 -11.139 1.00 12.30 C ATOM 1138 C TYR A 74 4.690 -17.624 -11.687 1.00 45.03 C ATOM 1139 O TYR A 74 4.932 -18.739 -11.224 1.00 50.24 O ATOM 1140 CB TYR A 74 2.282 -17.009 -11.972 1.00 25.15 C ATOM 1141 CG TYR A 74 1.000 -16.796 -11.199 1.00 23.52 C ATOM 1142 CD1 TYR A 74 0.762 -17.475 -10.010 1.00 54.11 C ATOM 1143 CD2 TYR A 74 0.028 -15.916 -11.657 1.00 71.12 C ATOM 1144 CE1 TYR A 74 -0.409 -17.284 -9.301 1.00 63.14 C ATOM 1145 CE2 TYR A 74 -1.145 -15.718 -10.954 1.00 42.14 C ATOM 1146 CZ TYR A 74 -1.359 -16.405 -9.777 1.00 43.44 C ATOM 1147 OH TYR A 74 -2.525 -16.211 -9.074 1.00 12.23 O ATOM 0 H TYR A 74 3.311 -14.782 -11.734 1.00 42.10 H new ATOM 0 HA TYR A 74 3.354 -17.083 -10.110 1.00 12.30 H new ATOM 0 HB2 TYR A 74 2.295 -16.337 -12.830 1.00 25.15 H new ATOM 0 HB3 TYR A 74 2.295 -18.026 -12.364 1.00 25.15 H new ATOM 0 HD1 TYR A 74 1.504 -18.163 -9.634 1.00 54.11 H new ATOM 0 HD2 TYR A 74 0.192 -15.377 -12.579 1.00 71.12 H new ATOM 0 HE1 TYR A 74 -0.579 -17.820 -8.379 1.00 63.14 H new ATOM 0 HE2 TYR A 74 -1.890 -15.029 -11.324 1.00 42.14 H new ATOM 0 HH TYR A 74 -3.086 -15.560 -9.545 1.00 12.23 H new ATOM 1157 N VAL A 75 5.394 -17.084 -12.677 1.00 63.14 N ATOM 1158 CA VAL A 75 6.516 -17.786 -13.289 1.00 62.11 C ATOM 1159 C VAL A 75 7.758 -17.712 -12.407 1.00 53.34 C ATOM 1160 O VAL A 75 8.562 -18.643 -12.371 1.00 61.30 O ATOM 1161 CB VAL A 75 6.850 -17.208 -14.677 1.00 64.22 C ATOM 1162 CG1 VAL A 75 7.910 -18.054 -15.367 1.00 1.22 C ATOM 1163 CG2 VAL A 75 5.595 -17.112 -15.530 1.00 74.53 C ATOM 0 H VAL A 75 5.207 -16.162 -13.072 1.00 63.14 H new ATOM 0 HA VAL A 75 6.215 -18.828 -13.400 1.00 62.11 H new ATOM 0 HB VAL A 75 7.250 -16.203 -14.546 1.00 64.22 H new ATOM 0 HG11 VAL A 75 8.133 -17.630 -16.346 1.00 1.22 H new ATOM 0 HG12 VAL A 75 8.817 -18.066 -14.762 1.00 1.22 H new ATOM 0 HG13 VAL A 75 7.541 -19.072 -15.488 1.00 1.22 H new ATOM 0 HG21 VAL A 75 5.850 -16.702 -16.507 1.00 74.53 H new ATOM 0 HG22 VAL A 75 5.163 -18.105 -15.655 1.00 74.53 H new ATOM 0 HG23 VAL A 75 4.871 -16.460 -15.040 1.00 74.53 H new ATOM 1173 N ILE A 76 7.907 -16.598 -11.698 1.00 32.21 N ATOM 1174 CA ILE A 76 9.050 -16.403 -10.815 1.00 32.13 C ATOM 1175 C ILE A 76 9.140 -17.517 -9.777 1.00 74.35 C ATOM 1176 O ILE A 76 10.232 -17.927 -9.386 1.00 52.00 O ATOM 1177 CB ILE A 76 8.976 -15.047 -10.089 1.00 54.53 C ATOM 1178 CG1 ILE A 76 8.915 -13.903 -11.104 1.00 73.35 C ATOM 1179 CG2 ILE A 76 10.170 -14.876 -9.162 1.00 54.31 C ATOM 1180 CD1 ILE A 76 8.815 -12.535 -10.468 1.00 52.30 C ATOM 0 H ILE A 76 7.251 -15.817 -11.718 1.00 32.21 H new ATOM 0 HA ILE A 76 9.940 -16.422 -11.444 1.00 32.13 H new ATOM 0 HB ILE A 76 8.067 -15.023 -9.487 1.00 54.53 H new ATOM 0 HG12 ILE A 76 9.805 -13.938 -11.733 1.00 73.35 H new ATOM 0 HG13 ILE A 76 8.056 -14.054 -11.758 1.00 73.35 H new ATOM 0 HG21 ILE A 76 10.103 -13.913 -8.656 1.00 54.31 H new ATOM 0 HG22 ILE A 76 10.173 -15.675 -8.421 1.00 54.31 H new ATOM 0 HG23 ILE A 76 11.091 -14.917 -9.744 1.00 54.31 H new ATOM 0 HD11 ILE A 76 8.776 -11.774 -11.247 1.00 52.30 H new ATOM 0 HD12 ILE A 76 7.911 -12.481 -9.862 1.00 52.30 H new ATOM 0 HD13 ILE A 76 9.686 -12.363 -9.836 1.00 52.30 H new ATOM 1192 N GLU A 77 7.983 -18.004 -9.338 1.00 42.01 N ATOM 1193 CA GLU A 77 7.932 -19.072 -8.347 1.00 20.13 C ATOM 1194 C GLU A 77 8.797 -20.254 -8.775 1.00 71.13 C ATOM 1195 O GLU A 77 9.418 -20.917 -7.944 1.00 13.52 O ATOM 1196 CB GLU A 77 6.488 -19.533 -8.135 1.00 4.22 C ATOM 1197 CG GLU A 77 5.605 -18.484 -7.480 1.00 73.15 C ATOM 1198 CD GLU A 77 5.617 -18.573 -5.967 1.00 1.12 C ATOM 1199 OE1 GLU A 77 6.557 -19.183 -5.415 1.00 51.43 O ATOM 1200 OE2 GLU A 77 4.686 -18.032 -5.334 1.00 2.12 O ATOM 0 H GLU A 77 7.070 -17.676 -9.653 1.00 42.01 H new ATOM 0 HA GLU A 77 8.322 -18.680 -7.408 1.00 20.13 H new ATOM 0 HB2 GLU A 77 6.058 -19.808 -9.098 1.00 4.22 H new ATOM 0 HB3 GLU A 77 6.489 -20.432 -7.518 1.00 4.22 H new ATOM 0 HG2 GLU A 77 5.939 -17.492 -7.784 1.00 73.15 H new ATOM 0 HG3 GLU A 77 4.582 -18.600 -7.839 1.00 73.15 H new ATOM 1207 N ASP A 78 8.832 -20.512 -10.078 1.00 33.31 N ATOM 1208 CA ASP A 78 9.620 -21.614 -10.618 1.00 42.44 C ATOM 1209 C ASP A 78 11.069 -21.526 -10.149 1.00 31.34 C ATOM 1210 O ASP A 78 11.751 -22.542 -10.018 1.00 4.14 O ATOM 1211 CB ASP A 78 9.565 -21.606 -12.147 1.00 22.42 C ATOM 1212 CG ASP A 78 8.146 -21.680 -12.676 1.00 2.45 C ATOM 1213 OD1 ASP A 78 7.366 -22.513 -12.168 1.00 41.15 O ATOM 1214 OD2 ASP A 78 7.816 -20.903 -13.596 1.00 34.13 O ATOM 0 H ASP A 78 8.324 -19.973 -10.779 1.00 33.31 H new ATOM 0 HA ASP A 78 9.194 -22.548 -10.251 1.00 42.44 H new ATOM 0 HB2 ASP A 78 10.042 -20.700 -12.520 1.00 22.42 H new ATOM 0 HB3 ASP A 78 10.138 -22.449 -12.533 1.00 22.42 H new ATOM 1219 N ALA A 79 11.532 -20.306 -9.898 1.00 31.11 N ATOM 1220 CA ALA A 79 12.899 -20.086 -9.442 1.00 72.41 C ATOM 1221 C ALA A 79 13.212 -20.938 -8.216 1.00 43.34 C ATOM 1222 O ALA A 79 14.202 -21.670 -8.193 1.00 73.01 O ATOM 1223 CB ALA A 79 13.122 -18.613 -9.135 1.00 24.00 C ATOM 0 H ALA A 79 10.980 -19.455 -10.003 1.00 31.11 H new ATOM 0 HA ALA A 79 13.576 -20.385 -10.242 1.00 72.41 H new ATOM 0 HB1 ALA A 79 14.147 -18.463 -8.796 1.00 24.00 H new ATOM 0 HB2 ALA A 79 12.948 -18.023 -10.035 1.00 24.00 H new ATOM 0 HB3 ALA A 79 12.431 -18.295 -8.354 1.00 24.00 H new ATOM 1229 N VAL A 80 12.364 -20.836 -7.198 1.00 72.22 N ATOM 1230 CA VAL A 80 12.550 -21.597 -5.969 1.00 23.43 C ATOM 1231 C VAL A 80 12.119 -23.048 -6.150 1.00 34.22 C ATOM 1232 O VAL A 80 12.640 -23.949 -5.492 1.00 2.43 O ATOM 1233 CB VAL A 80 11.759 -20.980 -4.801 1.00 12.33 C ATOM 1234 CG1 VAL A 80 12.351 -19.636 -4.406 1.00 2.53 C ATOM 1235 CG2 VAL A 80 10.290 -20.837 -5.170 1.00 10.53 C ATOM 0 H VAL A 80 11.541 -20.233 -7.200 1.00 72.22 H new ATOM 0 HA VAL A 80 13.614 -21.564 -5.735 1.00 23.43 H new ATOM 0 HB VAL A 80 11.831 -21.648 -3.943 1.00 12.33 H new ATOM 0 HG11 VAL A 80 11.779 -19.215 -3.579 1.00 2.53 H new ATOM 0 HG12 VAL A 80 13.388 -19.771 -4.098 1.00 2.53 H new ATOM 0 HG13 VAL A 80 12.311 -18.957 -5.257 1.00 2.53 H new ATOM 0 HG21 VAL A 80 9.746 -20.399 -4.333 1.00 10.53 H new ATOM 0 HG22 VAL A 80 10.195 -20.190 -6.042 1.00 10.53 H new ATOM 0 HG23 VAL A 80 9.875 -21.819 -5.399 1.00 10.53 H new ATOM 1245 N ASP A 81 11.163 -23.268 -7.046 1.00 42.23 N ATOM 1246 CA ASP A 81 10.662 -24.610 -7.316 1.00 34.31 C ATOM 1247 C ASP A 81 11.806 -25.561 -7.653 1.00 44.40 C ATOM 1248 O ASP A 81 11.721 -26.764 -7.409 1.00 30.40 O ATOM 1249 CB ASP A 81 9.653 -24.580 -8.465 1.00 14.31 C ATOM 1250 CG ASP A 81 8.597 -25.660 -8.337 1.00 61.55 C ATOM 1251 OD1 ASP A 81 8.711 -26.494 -7.415 1.00 72.41 O ATOM 1252 OD2 ASP A 81 7.658 -25.673 -9.161 1.00 32.03 O ATOM 0 H ASP A 81 10.720 -22.534 -7.598 1.00 42.23 H new ATOM 0 HA ASP A 81 10.166 -24.972 -6.416 1.00 34.31 H new ATOM 0 HB2 ASP A 81 9.169 -23.604 -8.494 1.00 14.31 H new ATOM 0 HB3 ASP A 81 10.180 -24.702 -9.411 1.00 14.31 H new ATOM 1257 N LYS A 82 12.877 -25.012 -8.217 1.00 24.15 N ATOM 1258 CA LYS A 82 14.040 -25.809 -8.588 1.00 23.52 C ATOM 1259 C LYS A 82 14.594 -26.559 -7.380 1.00 43.31 C ATOM 1260 O LYS A 82 14.873 -27.756 -7.454 1.00 11.31 O ATOM 1261 CB LYS A 82 15.127 -24.915 -9.189 1.00 11.01 C ATOM 1262 CG LYS A 82 14.678 -24.164 -10.431 1.00 25.22 C ATOM 1263 CD LYS A 82 14.390 -25.113 -11.582 1.00 52.11 C ATOM 1264 CE LYS A 82 15.481 -25.053 -12.640 1.00 74.15 C ATOM 1265 NZ LYS A 82 15.475 -23.754 -13.369 1.00 65.54 N ATOM 0 H LYS A 82 12.963 -24.018 -8.427 1.00 24.15 H new ATOM 0 HA LYS A 82 13.725 -26.539 -9.334 1.00 23.52 H new ATOM 0 HB2 LYS A 82 15.451 -24.196 -8.437 1.00 11.01 H new ATOM 0 HB3 LYS A 82 15.993 -25.528 -9.438 1.00 11.01 H new ATOM 0 HG2 LYS A 82 13.783 -23.584 -10.203 1.00 25.22 H new ATOM 0 HG3 LYS A 82 15.451 -23.455 -10.728 1.00 25.22 H new ATOM 0 HD2 LYS A 82 14.305 -26.131 -11.203 1.00 52.11 H new ATOM 0 HD3 LYS A 82 13.430 -24.860 -12.033 1.00 52.11 H new ATOM 0 HE2 LYS A 82 16.453 -25.201 -12.169 1.00 74.15 H new ATOM 0 HE3 LYS A 82 15.344 -25.869 -13.350 1.00 74.15 H new ATOM 0 HZ1 LYS A 82 15.930 -23.874 -14.296 1.00 65.54 H new ATOM 0 HZ2 LYS A 82 14.494 -23.436 -13.503 1.00 65.54 H new ATOM 0 HZ3 LYS A 82 15.997 -23.044 -12.817 1.00 65.54 H new ATOM 1279 N PHE A 83 14.750 -25.847 -6.269 1.00 25.13 N ATOM 1280 CA PHE A 83 15.271 -26.445 -5.045 1.00 33.33 C ATOM 1281 C PHE A 83 14.219 -27.331 -4.383 1.00 22.12 C ATOM 1282 O PHE A 83 14.547 -28.328 -3.737 1.00 44.34 O ATOM 1283 CB PHE A 83 15.722 -25.355 -4.071 1.00 12.13 C ATOM 1284 CG PHE A 83 16.169 -25.888 -2.740 1.00 12.25 C ATOM 1285 CD1 PHE A 83 17.021 -26.978 -2.666 1.00 34.24 C ATOM 1286 CD2 PHE A 83 15.738 -25.298 -1.562 1.00 71.12 C ATOM 1287 CE1 PHE A 83 17.433 -27.471 -1.442 1.00 12.11 C ATOM 1288 CE2 PHE A 83 16.147 -25.786 -0.335 1.00 61.24 C ATOM 1289 CZ PHE A 83 16.997 -26.873 -0.275 1.00 75.55 C ATOM 0 H PHE A 83 14.523 -24.856 -6.191 1.00 25.13 H new ATOM 0 HA PHE A 83 16.129 -27.064 -5.309 1.00 33.33 H new ATOM 0 HB2 PHE A 83 16.540 -24.792 -4.521 1.00 12.13 H new ATOM 0 HB3 PHE A 83 14.901 -24.655 -3.916 1.00 12.13 H new ATOM 0 HD1 PHE A 83 17.367 -27.448 -3.575 1.00 34.24 H new ATOM 0 HD2 PHE A 83 15.075 -24.447 -1.603 1.00 71.12 H new ATOM 0 HE1 PHE A 83 18.095 -28.323 -1.398 1.00 12.11 H new ATOM 0 HE2 PHE A 83 15.802 -25.318 0.575 1.00 61.24 H new ATOM 0 HZ PHE A 83 17.320 -27.255 0.682 1.00 75.55 H new ATOM 1299 N LEU A 84 12.954 -26.960 -4.547 1.00 22.53 N ATOM 1300 CA LEU A 84 11.853 -27.720 -3.965 1.00 72.12 C ATOM 1301 C LEU A 84 11.662 -29.046 -4.694 1.00 33.52 C ATOM 1302 O LEU A 84 10.896 -29.904 -4.254 1.00 12.14 O ATOM 1303 CB LEU A 84 10.560 -26.904 -4.019 1.00 70.45 C ATOM 1304 CG LEU A 84 10.634 -25.490 -3.442 1.00 33.40 C ATOM 1305 CD1 LEU A 84 9.470 -24.649 -3.941 1.00 53.41 C ATOM 1306 CD2 LEU A 84 10.648 -25.536 -1.921 1.00 1.40 C ATOM 0 H LEU A 84 12.665 -26.138 -5.078 1.00 22.53 H new ATOM 0 HA LEU A 84 12.099 -27.931 -2.924 1.00 72.12 H new ATOM 0 HB2 LEU A 84 10.241 -26.834 -5.059 1.00 70.45 H new ATOM 0 HB3 LEU A 84 9.785 -27.453 -3.484 1.00 70.45 H new ATOM 0 HG LEU A 84 11.561 -25.027 -3.780 1.00 33.40 H new ATOM 0 HD11 LEU A 84 9.539 -23.646 -3.520 1.00 53.41 H new ATOM 0 HD12 LEU A 84 9.504 -24.589 -5.029 1.00 53.41 H new ATOM 0 HD13 LEU A 84 8.531 -25.108 -3.632 1.00 53.41 H new ATOM 0 HD21 LEU A 84 10.701 -24.521 -1.527 1.00 1.40 H new ATOM 0 HD22 LEU A 84 9.738 -26.017 -1.563 1.00 1.40 H new ATOM 0 HD23 LEU A 84 11.515 -26.103 -1.582 1.00 1.40 H new ATOM 1318 N VAL A 85 12.365 -29.209 -5.810 1.00 72.31 N ATOM 1319 CA VAL A 85 12.275 -30.433 -6.598 1.00 43.44 C ATOM 1320 C VAL A 85 12.486 -31.665 -5.726 1.00 63.12 C ATOM 1321 O VAL A 85 11.956 -32.739 -6.012 1.00 52.40 O ATOM 1322 CB VAL A 85 13.309 -30.442 -7.740 1.00 4.33 C ATOM 1323 CG1 VAL A 85 14.714 -30.624 -7.186 1.00 44.31 C ATOM 1324 CG2 VAL A 85 12.980 -31.532 -8.748 1.00 54.33 C ATOM 0 H VAL A 85 13.003 -28.509 -6.189 1.00 72.31 H new ATOM 0 HA VAL A 85 11.273 -30.462 -7.025 1.00 43.44 H new ATOM 0 HB VAL A 85 13.267 -29.481 -8.252 1.00 4.33 H new ATOM 0 HG11 VAL A 85 15.431 -30.628 -8.007 1.00 44.31 H new ATOM 0 HG12 VAL A 85 14.946 -29.805 -6.506 1.00 44.31 H new ATOM 0 HG13 VAL A 85 14.773 -31.570 -6.648 1.00 44.31 H new ATOM 0 HG21 VAL A 85 13.721 -31.524 -9.548 1.00 54.33 H new ATOM 0 HG22 VAL A 85 12.993 -32.502 -8.252 1.00 54.33 H new ATOM 0 HG23 VAL A 85 11.990 -31.352 -9.168 1.00 54.33 H new ATOM 1334 N ARG A 86 13.264 -31.503 -4.661 1.00 22.12 N ATOM 1335 CA ARG A 86 13.546 -32.603 -3.746 1.00 63.05 C ATOM 1336 C ARG A 86 12.360 -32.859 -2.822 1.00 33.31 C ATOM 1337 O ARG A 86 11.805 -33.958 -2.796 1.00 60.14 O ATOM 1338 CB ARG A 86 14.796 -32.298 -2.918 1.00 15.01 C ATOM 1339 CG ARG A 86 16.088 -32.376 -3.714 1.00 2.23 C ATOM 1340 CD ARG A 86 17.292 -32.560 -2.804 1.00 24.04 C ATOM 1341 NE ARG A 86 18.503 -32.880 -3.556 1.00 11.45 N ATOM 1342 CZ ARG A 86 18.772 -34.088 -4.036 1.00 60.41 C ATOM 1343 NH1 ARG A 86 17.920 -35.086 -3.844 1.00 63.34 N ATOM 1344 NH2 ARG A 86 19.895 -34.301 -4.710 1.00 52.35 N ATOM 0 H ARG A 86 13.710 -30.621 -4.410 1.00 22.12 H new ATOM 0 HA ARG A 86 13.722 -33.500 -4.339 1.00 63.05 H new ATOM 0 HB2 ARG A 86 14.703 -31.300 -2.489 1.00 15.01 H new ATOM 0 HB3 ARG A 86 14.850 -32.999 -2.085 1.00 15.01 H new ATOM 0 HG2 ARG A 86 16.033 -33.206 -4.419 1.00 2.23 H new ATOM 0 HG3 ARG A 86 16.210 -31.466 -4.302 1.00 2.23 H new ATOM 0 HD2 ARG A 86 17.453 -31.649 -2.228 1.00 24.04 H new ATOM 0 HD3 ARG A 86 17.088 -33.357 -2.089 1.00 24.04 H new ATOM 0 HE ARG A 86 19.179 -32.134 -3.721 1.00 11.45 H new ATOM 0 HH11 ARG A 86 17.056 -34.926 -3.326 1.00 63.34 H new ATOM 0 HH12 ARG A 86 18.129 -36.013 -4.214 1.00 63.34 H new ATOM 0 HH21 ARG A 86 20.553 -33.536 -4.860 1.00 52.35 H new ATOM 0 HH22 ARG A 86 20.100 -35.230 -5.078 1.00 52.35 H new ATOM 1358 N VAL A 87 11.976 -31.838 -2.063 1.00 52.30 N ATOM 1359 CA VAL A 87 10.855 -31.952 -1.137 1.00 42.33 C ATOM 1360 C VAL A 87 9.576 -32.344 -1.868 1.00 63.33 C ATOM 1361 O VAL A 87 8.673 -32.944 -1.284 1.00 24.21 O ATOM 1362 CB VAL A 87 10.616 -30.632 -0.380 1.00 42.12 C ATOM 1363 CG1 VAL A 87 11.863 -30.224 0.389 1.00 45.21 C ATOM 1364 CG2 VAL A 87 10.191 -29.534 -1.344 1.00 64.52 C ATOM 0 H VAL A 87 12.425 -30.922 -2.071 1.00 52.30 H new ATOM 0 HA VAL A 87 11.114 -32.732 -0.421 1.00 42.33 H new ATOM 0 HB VAL A 87 9.810 -30.786 0.337 1.00 42.12 H new ATOM 0 HG11 VAL A 87 11.675 -29.289 0.917 1.00 45.21 H new ATOM 0 HG12 VAL A 87 12.118 -31.002 1.108 1.00 45.21 H new ATOM 0 HG13 VAL A 87 12.691 -30.087 -0.307 1.00 45.21 H new ATOM 0 HG21 VAL A 87 10.026 -28.609 -0.792 1.00 64.52 H new ATOM 0 HG22 VAL A 87 10.973 -29.379 -2.087 1.00 64.52 H new ATOM 0 HG23 VAL A 87 9.268 -29.827 -1.845 1.00 64.52 H new ATOM 1374 N HIS A 88 9.505 -32.002 -3.151 1.00 25.40 N ATOM 1375 CA HIS A 88 8.337 -32.320 -3.964 1.00 34.35 C ATOM 1376 C HIS A 88 8.359 -33.783 -4.398 1.00 53.44 C ATOM 1377 O HIS A 88 7.348 -34.322 -4.847 1.00 23.40 O ATOM 1378 CB HIS A 88 8.281 -31.412 -5.192 1.00 12.41 C ATOM 1379 CG HIS A 88 7.639 -30.085 -4.927 1.00 15.23 C ATOM 1380 ND1 HIS A 88 7.500 -29.109 -5.891 1.00 61.45 N ATOM 1381 CD2 HIS A 88 7.094 -29.575 -3.797 1.00 40.33 C ATOM 1382 CE1 HIS A 88 6.900 -28.056 -5.367 1.00 31.14 C ATOM 1383 NE2 HIS A 88 6.642 -28.313 -4.097 1.00 23.01 N ATOM 0 H HIS A 88 10.243 -31.505 -3.650 1.00 25.40 H new ATOM 0 HA HIS A 88 7.447 -32.153 -3.358 1.00 34.35 H new ATOM 0 HB2 HIS A 88 9.294 -31.249 -5.560 1.00 12.41 H new ATOM 0 HB3 HIS A 88 7.732 -31.920 -5.985 1.00 12.41 H new ATOM 0 HD2 HIS A 88 7.027 -30.068 -2.839 1.00 40.33 H new ATOM 0 HE1 HIS A 88 6.661 -27.141 -5.888 1.00 31.14 H new ATOM 0 HE2 HIS A 88 6.182 -27.678 -3.445 1.00 23.01 H new ATOM 1391 N GLY A 89 9.519 -34.418 -4.263 1.00 32.11 N ATOM 1392 CA GLY A 89 9.651 -35.811 -4.647 1.00 73.30 C ATOM 1393 C GLY A 89 9.490 -36.019 -6.140 1.00 2.20 C ATOM 1394 O GLY A 89 9.299 -37.144 -6.601 1.00 32.22 O ATOM 0 H GLY A 89 10.370 -33.993 -3.895 1.00 32.11 H new ATOM 0 HA2 GLY A 89 10.628 -36.179 -4.335 1.00 73.30 H new ATOM 0 HA3 GLY A 89 8.904 -36.403 -4.118 1.00 73.30 H new ATOM 1398 N VAL A 90 9.567 -34.930 -6.899 1.00 33.02 N ATOM 1399 CA VAL A 90 9.428 -34.997 -8.349 1.00 20.43 C ATOM 1400 C VAL A 90 10.790 -34.963 -9.033 1.00 52.42 C ATOM 1401 O VAL A 90 11.666 -34.187 -8.653 1.00 24.41 O ATOM 1402 CB VAL A 90 8.567 -33.839 -8.885 1.00 15.55 C ATOM 1403 CG1 VAL A 90 7.181 -33.868 -8.257 1.00 23.21 C ATOM 1404 CG2 VAL A 90 9.249 -32.504 -8.626 1.00 44.04 C ATOM 0 H VAL A 90 9.725 -33.991 -6.534 1.00 33.02 H new ATOM 0 HA VAL A 90 8.934 -35.942 -8.576 1.00 20.43 H new ATOM 0 HB VAL A 90 8.455 -33.962 -9.962 1.00 15.55 H new ATOM 0 HG11 VAL A 90 6.587 -33.042 -8.648 1.00 23.21 H new ATOM 0 HG12 VAL A 90 6.692 -34.812 -8.497 1.00 23.21 H new ATOM 0 HG13 VAL A 90 7.270 -33.771 -7.175 1.00 23.21 H new ATOM 0 HG21 VAL A 90 8.626 -31.697 -9.011 1.00 44.04 H new ATOM 0 HG22 VAL A 90 9.393 -32.371 -7.554 1.00 44.04 H new ATOM 0 HG23 VAL A 90 10.217 -32.487 -9.127 1.00 44.04 H new ATOM 1414 N GLU A 91 10.959 -35.808 -10.045 1.00 41.44 N ATOM 1415 CA GLU A 91 12.215 -35.873 -10.783 1.00 22.10 C ATOM 1416 C GLU A 91 12.640 -34.487 -11.258 1.00 41.32 C ATOM 1417 O GLU A 91 11.821 -33.583 -11.429 1.00 61.55 O ATOM 1418 CB GLU A 91 12.081 -36.816 -11.981 1.00 15.23 C ATOM 1419 CG GLU A 91 10.877 -36.516 -12.859 1.00 21.24 C ATOM 1420 CD GLU A 91 11.055 -35.256 -13.682 1.00 42.43 C ATOM 1421 OE1 GLU A 91 11.943 -35.242 -14.561 1.00 32.22 O ATOM 1422 OE2 GLU A 91 10.308 -34.283 -13.449 1.00 11.05 O ATOM 0 H GLU A 91 10.243 -36.456 -10.372 1.00 41.44 H new ATOM 0 HA GLU A 91 12.981 -36.258 -10.111 1.00 22.10 H new ATOM 0 HB2 GLU A 91 12.986 -36.753 -12.585 1.00 15.23 H new ATOM 0 HB3 GLU A 91 12.010 -37.842 -11.619 1.00 15.23 H new ATOM 0 HG2 GLU A 91 10.700 -37.359 -13.526 1.00 21.24 H new ATOM 0 HG3 GLU A 91 9.991 -36.414 -12.232 1.00 21.24 H new ATOM 1429 N PRO A 92 13.952 -34.313 -11.476 1.00 41.41 N ATOM 1430 CA PRO A 92 14.516 -33.040 -11.934 1.00 44.33 C ATOM 1431 C PRO A 92 14.135 -32.722 -13.376 1.00 61.01 C ATOM 1432 O PRO A 92 14.392 -33.512 -14.285 1.00 32.24 O ATOM 1433 CB PRO A 92 16.027 -33.258 -11.816 1.00 72.44 C ATOM 1434 CG PRO A 92 16.206 -34.734 -11.924 1.00 15.52 C ATOM 1435 CD PRO A 92 14.986 -35.345 -11.292 1.00 74.45 C ATOM 0 HA PRO A 92 14.146 -32.197 -11.350 1.00 44.33 H new ATOM 0 HB2 PRO A 92 16.565 -32.735 -12.606 1.00 72.44 H new ATOM 0 HB3 PRO A 92 16.409 -32.881 -10.867 1.00 72.44 H new ATOM 0 HG2 PRO A 92 16.301 -35.041 -12.966 1.00 15.52 H new ATOM 0 HG3 PRO A 92 17.113 -35.056 -11.413 1.00 15.52 H new ATOM 0 HD2 PRO A 92 14.709 -36.282 -11.776 1.00 74.45 H new ATOM 0 HD3 PRO A 92 15.149 -35.567 -10.237 1.00 74.45 H new ATOM 1443 N ASP A 93 13.522 -31.561 -13.579 1.00 32.21 N ATOM 1444 CA ASP A 93 13.106 -31.138 -14.911 1.00 64.43 C ATOM 1445 C ASP A 93 13.146 -29.618 -15.036 1.00 32.50 C ATOM 1446 O ASP A 93 12.489 -28.906 -14.276 1.00 64.21 O ATOM 1447 CB ASP A 93 11.698 -31.651 -15.216 1.00 62.24 C ATOM 1448 CG ASP A 93 11.463 -31.849 -16.701 1.00 62.00 C ATOM 1449 OD1 ASP A 93 12.345 -31.464 -17.498 1.00 74.31 O ATOM 1450 OD2 ASP A 93 10.398 -32.389 -17.066 1.00 23.31 O ATOM 0 H ASP A 93 13.302 -30.896 -12.838 1.00 32.21 H new ATOM 0 HA ASP A 93 13.803 -31.562 -15.634 1.00 64.43 H new ATOM 0 HB2 ASP A 93 11.538 -32.596 -14.697 1.00 62.24 H new ATOM 0 HB3 ASP A 93 10.965 -30.945 -14.826 1.00 62.24 H new ATOM 1455 N ASP A 94 13.920 -29.129 -15.998 1.00 1.11 N ATOM 1456 CA ASP A 94 14.045 -27.693 -16.222 1.00 64.44 C ATOM 1457 C ASP A 94 13.305 -27.275 -17.488 1.00 54.45 C ATOM 1458 O ASP A 94 12.771 -26.169 -17.570 1.00 64.12 O ATOM 1459 CB ASP A 94 15.519 -27.298 -16.325 1.00 25.42 C ATOM 1460 CG ASP A 94 16.399 -28.093 -15.379 1.00 53.30 C ATOM 1461 OD1 ASP A 94 16.862 -29.182 -15.775 1.00 25.21 O ATOM 1462 OD2 ASP A 94 16.622 -27.625 -14.243 1.00 24.14 O ATOM 0 H ASP A 94 14.470 -29.705 -16.635 1.00 1.11 H new ATOM 0 HA ASP A 94 13.597 -27.177 -15.373 1.00 64.44 H new ATOM 0 HB2 ASP A 94 15.862 -27.449 -17.349 1.00 25.42 H new ATOM 0 HB3 ASP A 94 15.623 -26.235 -16.107 1.00 25.42 H new ATOM 1467 N ASN A 95 13.277 -28.166 -18.474 1.00 41.10 N ATOM 1468 CA ASN A 95 12.603 -27.888 -19.737 1.00 42.02 C ATOM 1469 C ASN A 95 11.135 -27.542 -19.506 1.00 63.30 C ATOM 1470 O ASN A 95 10.520 -26.831 -20.301 1.00 42.21 O ATOM 1471 CB ASN A 95 12.714 -29.093 -20.674 1.00 14.31 C ATOM 1472 CG ASN A 95 12.100 -28.825 -22.035 1.00 21.13 C ATOM 1473 OD1 ASN A 95 11.995 -27.677 -22.466 1.00 1.34 O ATOM 1474 ND2 ASN A 95 11.691 -29.888 -22.718 1.00 42.55 N ATOM 0 H ASN A 95 13.713 -29.087 -18.423 1.00 41.10 H new ATOM 0 HA ASN A 95 13.091 -27.030 -20.200 1.00 42.02 H new ATOM 0 HB2 ASN A 95 13.764 -29.358 -20.798 1.00 14.31 H new ATOM 0 HB3 ASN A 95 12.220 -29.951 -20.218 1.00 14.31 H new ATOM 0 HD21 ASN A 95 11.270 -29.771 -23.640 1.00 42.55 H new ATOM 0 HD22 ASN A 95 11.798 -30.821 -22.321 1.00 42.55 H new ATOM 1481 N THR A 96 10.579 -28.050 -18.411 1.00 35.41 N ATOM 1482 CA THR A 96 9.183 -27.796 -18.074 1.00 64.55 C ATOM 1483 C THR A 96 8.960 -26.329 -17.726 1.00 70.34 C ATOM 1484 O THR A 96 7.853 -25.811 -17.863 1.00 73.01 O ATOM 1485 CB THR A 96 8.723 -28.669 -16.891 1.00 41.23 C ATOM 1486 OG1 THR A 96 9.109 -30.031 -17.108 1.00 11.35 O ATOM 1487 CG2 THR A 96 7.215 -28.586 -16.713 1.00 34.13 C ATOM 0 H THR A 96 11.074 -28.640 -17.742 1.00 35.41 H new ATOM 0 HA THR A 96 8.593 -28.051 -18.955 1.00 64.55 H new ATOM 0 HB THR A 96 9.201 -28.297 -15.985 1.00 41.23 H new ATOM 0 HG1 THR A 96 8.814 -30.579 -16.351 1.00 11.35 H new ATOM 0 HG21 THR A 96 6.913 -29.210 -15.872 1.00 34.13 H new ATOM 0 HG22 THR A 96 6.928 -27.553 -16.519 1.00 34.13 H new ATOM 0 HG23 THR A 96 6.722 -28.936 -17.620 1.00 34.13 H new ATOM 1495 N ASN A 97 10.019 -25.665 -17.277 1.00 4.44 N ATOM 1496 CA ASN A 97 9.938 -24.256 -16.909 1.00 42.40 C ATOM 1497 C ASN A 97 9.485 -23.409 -18.095 1.00 23.32 C ATOM 1498 O ASN A 97 8.875 -22.355 -17.922 1.00 33.44 O ATOM 1499 CB ASN A 97 11.294 -23.760 -16.403 1.00 24.21 C ATOM 1500 CG ASN A 97 11.843 -24.622 -15.282 1.00 1.31 C ATOM 1501 OD1 ASN A 97 11.088 -25.165 -14.475 1.00 3.40 O ATOM 1502 ND2 ASN A 97 13.164 -24.750 -15.227 1.00 73.41 N ATOM 0 H ASN A 97 10.944 -26.079 -17.159 1.00 4.44 H new ATOM 0 HA ASN A 97 9.202 -24.157 -16.111 1.00 42.40 H new ATOM 0 HB2 ASN A 97 12.005 -23.747 -17.229 1.00 24.21 H new ATOM 0 HB3 ASN A 97 11.194 -22.733 -16.052 1.00 24.21 H new ATOM 0 HD21 ASN A 97 13.591 -25.317 -14.494 1.00 73.41 H new ATOM 0 HD22 ASN A 97 13.751 -24.282 -15.917 1.00 73.41 H new ATOM 1509 N GLY A 98 9.789 -23.879 -19.301 1.00 71.50 N ATOM 1510 CA GLY A 98 9.405 -23.154 -20.498 1.00 62.31 C ATOM 1511 C GLY A 98 9.942 -21.737 -20.514 1.00 52.31 C ATOM 1512 O GLY A 98 9.250 -20.808 -20.932 1.00 41.03 O ATOM 0 H GLY A 98 10.294 -24.749 -19.470 1.00 71.50 H new ATOM 0 HA2 GLY A 98 9.770 -23.688 -21.375 1.00 62.31 H new ATOM 0 HA3 GLY A 98 8.318 -23.128 -20.570 1.00 62.31 H new ATOM 1516 N PHE A 99 11.178 -21.568 -20.056 1.00 71.41 N ATOM 1517 CA PHE A 99 11.806 -20.253 -20.017 1.00 22.01 C ATOM 1518 C PHE A 99 11.840 -19.625 -21.407 1.00 52.30 C ATOM 1519 O PHE A 99 11.875 -18.402 -21.548 1.00 63.10 O ATOM 1520 CB PHE A 99 13.227 -20.359 -19.458 1.00 72.45 C ATOM 1521 CG PHE A 99 13.875 -19.027 -19.210 1.00 74.23 C ATOM 1522 CD1 PHE A 99 13.715 -18.380 -17.996 1.00 13.23 C ATOM 1523 CD2 PHE A 99 14.644 -18.423 -20.191 1.00 51.42 C ATOM 1524 CE1 PHE A 99 14.309 -17.154 -17.765 1.00 41.42 C ATOM 1525 CE2 PHE A 99 15.241 -17.197 -19.966 1.00 42.53 C ATOM 1526 CZ PHE A 99 15.074 -16.562 -18.751 1.00 43.21 C ATOM 0 H PHE A 99 11.765 -22.326 -19.707 1.00 71.41 H new ATOM 0 HA PHE A 99 11.212 -19.614 -19.363 1.00 22.01 H new ATOM 0 HB2 PHE A 99 13.200 -20.921 -18.524 1.00 72.45 H new ATOM 0 HB3 PHE A 99 13.841 -20.929 -20.155 1.00 72.45 H new ATOM 0 HD1 PHE A 99 13.119 -18.839 -17.221 1.00 13.23 H new ATOM 0 HD2 PHE A 99 14.779 -18.916 -21.143 1.00 51.42 H new ATOM 0 HE1 PHE A 99 14.175 -16.659 -16.814 1.00 41.42 H new ATOM 0 HE2 PHE A 99 15.837 -16.736 -20.739 1.00 42.53 H new ATOM 0 HZ PHE A 99 15.541 -15.605 -18.572 1.00 43.21 H new ATOM 1536 N LYS A 100 11.829 -20.470 -22.432 1.00 41.01 N ATOM 1537 CA LYS A 100 11.858 -20.000 -23.812 1.00 74.21 C ATOM 1538 C LYS A 100 10.766 -18.963 -24.056 1.00 61.15 C ATOM 1539 O LYS A 100 10.990 -17.960 -24.733 1.00 74.32 O ATOM 1540 CB LYS A 100 11.684 -21.176 -24.776 1.00 51.24 C ATOM 1541 CG LYS A 100 12.996 -21.802 -25.215 1.00 24.13 C ATOM 1542 CD LYS A 100 13.738 -22.420 -24.042 1.00 23.43 C ATOM 1543 CE LYS A 100 15.009 -23.123 -24.494 1.00 23.01 C ATOM 1544 NZ LYS A 100 15.416 -24.197 -23.546 1.00 63.35 N ATOM 0 H LYS A 100 11.800 -21.485 -22.333 1.00 41.01 H new ATOM 0 HA LYS A 100 12.826 -19.532 -23.991 1.00 74.21 H new ATOM 0 HB2 LYS A 100 11.069 -21.939 -24.298 1.00 51.24 H new ATOM 0 HB3 LYS A 100 11.141 -20.835 -25.657 1.00 51.24 H new ATOM 0 HG2 LYS A 100 12.802 -22.566 -25.967 1.00 24.13 H new ATOM 0 HG3 LYS A 100 13.623 -21.044 -25.685 1.00 24.13 H new ATOM 0 HD2 LYS A 100 13.988 -21.644 -23.319 1.00 23.43 H new ATOM 0 HD3 LYS A 100 13.088 -23.132 -23.534 1.00 23.43 H new ATOM 0 HE2 LYS A 100 14.854 -23.552 -25.484 1.00 23.01 H new ATOM 0 HE3 LYS A 100 15.814 -22.394 -24.585 1.00 23.01 H new ATOM 0 HZ1 LYS A 100 16.286 -24.652 -23.889 1.00 63.35 H new ATOM 0 HZ2 LYS A 100 15.588 -23.784 -22.607 1.00 63.35 H new ATOM 0 HZ3 LYS A 100 14.658 -24.906 -23.479 1.00 63.35 H new ATOM 1558 N GLY A 101 9.585 -19.211 -23.499 1.00 74.13 N ATOM 1559 CA GLY A 101 8.477 -18.289 -23.667 1.00 52.25 C ATOM 1560 C GLY A 101 8.545 -17.119 -22.705 1.00 72.53 C ATOM 1561 O GLY A 101 8.283 -15.977 -23.085 1.00 65.21 O ATOM 0 H GLY A 101 9.376 -20.034 -22.934 1.00 74.13 H new ATOM 0 HA2 GLY A 101 8.472 -17.914 -24.690 1.00 52.25 H new ATOM 0 HA3 GLY A 101 7.538 -18.823 -23.519 1.00 52.25 H new ATOM 1565 N LEU A 102 8.895 -17.403 -21.456 1.00 31.33 N ATOM 1566 CA LEU A 102 8.995 -16.366 -20.435 1.00 31.12 C ATOM 1567 C LEU A 102 10.002 -15.295 -20.843 1.00 73.41 C ATOM 1568 O LEU A 102 9.841 -14.120 -20.514 1.00 75.55 O ATOM 1569 CB LEU A 102 9.402 -16.980 -19.094 1.00 73.01 C ATOM 1570 CG LEU A 102 9.816 -15.993 -18.002 1.00 35.11 C ATOM 1571 CD1 LEU A 102 8.619 -15.178 -17.537 1.00 75.33 C ATOM 1572 CD2 LEU A 102 10.449 -16.729 -16.830 1.00 62.14 C ATOM 0 H LEU A 102 9.114 -18.343 -21.125 1.00 31.33 H new ATOM 0 HA LEU A 102 8.016 -15.898 -20.331 1.00 31.12 H new ATOM 0 HB2 LEU A 102 8.568 -17.574 -18.721 1.00 73.01 H new ATOM 0 HB3 LEU A 102 10.230 -17.667 -19.268 1.00 73.01 H new ATOM 0 HG LEU A 102 10.556 -15.309 -18.419 1.00 35.11 H new ATOM 0 HD11 LEU A 102 8.933 -14.481 -16.760 1.00 75.33 H new ATOM 0 HD12 LEU A 102 8.209 -14.621 -18.379 1.00 75.33 H new ATOM 0 HD13 LEU A 102 7.856 -15.847 -17.138 1.00 75.33 H new ATOM 0 HD21 LEU A 102 10.737 -16.011 -16.062 1.00 62.14 H new ATOM 0 HD22 LEU A 102 9.731 -17.436 -16.414 1.00 62.14 H new ATOM 0 HD23 LEU A 102 11.332 -17.268 -17.173 1.00 62.14 H new ATOM 1584 N MET A 103 11.039 -15.710 -21.563 1.00 42.20 N ATOM 1585 CA MET A 103 12.070 -14.785 -22.019 1.00 64.13 C ATOM 1586 C MET A 103 11.458 -13.637 -22.814 1.00 55.35 C ATOM 1587 O MET A 103 11.747 -12.467 -22.560 1.00 64.41 O ATOM 1588 CB MET A 103 13.102 -15.521 -22.876 1.00 42.24 C ATOM 1589 CG MET A 103 14.225 -14.627 -23.378 1.00 14.44 C ATOM 1590 SD MET A 103 15.483 -14.322 -22.123 1.00 12.25 S ATOM 1591 CE MET A 103 14.903 -12.775 -21.431 1.00 1.33 C ATOM 0 H MET A 103 11.188 -16.680 -21.843 1.00 42.20 H new ATOM 0 HA MET A 103 12.566 -14.371 -21.141 1.00 64.13 H new ATOM 0 HB2 MET A 103 13.531 -16.336 -22.293 1.00 42.24 H new ATOM 0 HB3 MET A 103 12.597 -15.971 -23.731 1.00 42.24 H new ATOM 0 HG2 MET A 103 14.690 -15.089 -24.249 1.00 14.44 H new ATOM 0 HG3 MET A 103 13.807 -13.676 -23.707 1.00 14.44 H new ATOM 0 HE1 MET A 103 14.967 -12.816 -20.344 1.00 1.33 H new ATOM 0 HE2 MET A 103 15.521 -11.957 -21.800 1.00 1.33 H new ATOM 0 HE3 MET A 103 13.867 -12.609 -21.727 1.00 1.33 H new ATOM 1601 N LYS A 104 10.609 -13.977 -23.779 1.00 21.23 N ATOM 1602 CA LYS A 104 9.954 -12.975 -24.611 1.00 61.21 C ATOM 1603 C LYS A 104 8.892 -12.220 -23.819 1.00 53.20 C ATOM 1604 O LYS A 104 8.568 -11.074 -24.133 1.00 33.32 O ATOM 1605 CB LYS A 104 9.318 -13.637 -25.836 1.00 1.51 C ATOM 1606 CG LYS A 104 10.327 -14.069 -26.886 1.00 54.43 C ATOM 1607 CD LYS A 104 10.980 -15.391 -26.521 1.00 40.02 C ATOM 1608 CE LYS A 104 11.609 -16.056 -27.736 1.00 73.20 C ATOM 1609 NZ LYS A 104 12.775 -15.285 -28.249 1.00 60.40 N ATOM 0 H LYS A 104 10.359 -14.940 -24.004 1.00 21.23 H new ATOM 0 HA LYS A 104 10.710 -12.263 -24.942 1.00 61.21 H new ATOM 0 HB2 LYS A 104 8.747 -14.507 -25.513 1.00 1.51 H new ATOM 0 HB3 LYS A 104 8.611 -12.942 -26.288 1.00 1.51 H new ATOM 0 HG2 LYS A 104 9.831 -14.162 -27.852 1.00 54.43 H new ATOM 0 HG3 LYS A 104 11.093 -13.301 -26.993 1.00 54.43 H new ATOM 0 HD2 LYS A 104 11.743 -15.224 -25.761 1.00 40.02 H new ATOM 0 HD3 LYS A 104 10.236 -16.057 -26.085 1.00 40.02 H new ATOM 0 HE2 LYS A 104 11.928 -17.065 -27.473 1.00 73.20 H new ATOM 0 HE3 LYS A 104 10.862 -16.153 -28.524 1.00 73.20 H new ATOM 0 HZ1 LYS A 104 13.175 -15.771 -29.077 1.00 60.40 H new ATOM 0 HZ2 LYS A 104 12.466 -14.331 -28.524 1.00 60.40 H new ATOM 0 HZ3 LYS A 104 13.499 -15.214 -27.505 1.00 60.40 H new ATOM 1623 N ARG A 105 8.354 -12.868 -22.791 1.00 24.12 N ATOM 1624 CA ARG A 105 7.329 -12.257 -21.954 1.00 11.11 C ATOM 1625 C ARG A 105 7.883 -11.043 -21.214 1.00 24.34 C ATOM 1626 O ARG A 105 7.225 -10.007 -21.116 1.00 21.11 O ATOM 1627 CB ARG A 105 6.786 -13.276 -20.950 1.00 53.42 C ATOM 1628 CG ARG A 105 5.547 -14.009 -21.437 1.00 71.41 C ATOM 1629 CD ARG A 105 4.983 -14.925 -20.362 1.00 22.31 C ATOM 1630 NE ARG A 105 3.660 -15.434 -20.714 1.00 43.34 N ATOM 1631 CZ ARG A 105 2.850 -16.035 -19.850 1.00 52.34 C ATOM 1632 NH1 ARG A 105 3.225 -16.201 -18.590 1.00 21.03 N ATOM 1633 NH2 ARG A 105 1.661 -16.470 -20.247 1.00 32.31 N ATOM 0 H ARG A 105 8.611 -13.816 -22.518 1.00 24.12 H new ATOM 0 HA ARG A 105 6.517 -11.926 -22.601 1.00 11.11 H new ATOM 0 HB2 ARG A 105 7.565 -14.005 -20.727 1.00 53.42 H new ATOM 0 HB3 ARG A 105 6.552 -12.764 -20.016 1.00 53.42 H new ATOM 0 HG2 ARG A 105 4.788 -13.285 -21.735 1.00 71.41 H new ATOM 0 HG3 ARG A 105 5.794 -14.594 -22.323 1.00 71.41 H new ATOM 0 HD2 ARG A 105 5.663 -15.762 -20.206 1.00 22.31 H new ATOM 0 HD3 ARG A 105 4.923 -14.382 -19.419 1.00 22.31 H new ATOM 0 HE ARG A 105 3.341 -15.322 -21.676 1.00 43.34 H new ATOM 0 HH11 ARG A 105 4.138 -15.867 -18.281 1.00 21.03 H new ATOM 0 HH12 ARG A 105 2.601 -16.663 -17.929 1.00 21.03 H new ATOM 0 HH21 ARG A 105 1.369 -16.343 -21.216 1.00 32.31 H new ATOM 0 HH22 ARG A 105 1.039 -16.932 -19.583 1.00 32.31 H new ATOM 1647 N THR A 106 9.099 -11.179 -20.692 1.00 50.13 N ATOM 1648 CA THR A 106 9.742 -10.095 -19.960 1.00 34.44 C ATOM 1649 C THR A 106 10.388 -9.096 -20.911 1.00 43.44 C ATOM 1650 O THR A 106 10.195 -7.886 -20.784 1.00 70.01 O ATOM 1651 CB THR A 106 10.812 -10.630 -18.990 1.00 63.41 C ATOM 1652 OG1 THR A 106 11.402 -11.823 -19.521 1.00 11.52 O ATOM 1653 CG2 THR A 106 10.209 -10.922 -17.624 1.00 53.34 C ATOM 0 H THR A 106 9.658 -12.029 -20.763 1.00 50.13 H new ATOM 0 HA THR A 106 8.961 -9.594 -19.388 1.00 34.44 H new ATOM 0 HB THR A 106 11.580 -9.865 -18.874 1.00 63.41 H new ATOM 0 HG1 THR A 106 12.104 -12.139 -18.914 1.00 11.52 H new ATOM 0 HG21 THR A 106 10.984 -11.299 -16.957 1.00 53.34 H new ATOM 0 HG22 THR A 106 9.787 -10.007 -17.209 1.00 53.34 H new ATOM 0 HG23 THR A 106 9.423 -11.670 -17.726 1.00 53.34 H new ATOM 1661 N THR A 107 11.157 -9.608 -21.867 1.00 43.24 N ATOM 1662 CA THR A 107 11.833 -8.760 -22.841 1.00 41.40 C ATOM 1663 C THR A 107 10.854 -7.799 -23.506 1.00 44.15 C ATOM 1664 O THR A 107 11.203 -6.661 -23.822 1.00 54.02 O ATOM 1665 CB THR A 107 12.531 -9.598 -23.928 1.00 71.53 C ATOM 1666 OG1 THR A 107 13.384 -10.575 -23.321 1.00 45.23 O ATOM 1667 CG2 THR A 107 13.347 -8.711 -24.856 1.00 53.11 C ATOM 0 H THR A 107 11.327 -10.606 -21.987 1.00 43.24 H new ATOM 0 HA THR A 107 12.584 -8.189 -22.295 1.00 41.40 H new ATOM 0 HB THR A 107 11.763 -10.101 -24.516 1.00 71.53 H new ATOM 0 HG1 THR A 107 12.949 -11.453 -23.350 1.00 45.23 H new ATOM 0 HG21 THR A 107 13.830 -9.326 -25.615 1.00 53.11 H new ATOM 0 HG22 THR A 107 12.690 -7.988 -25.339 1.00 53.11 H new ATOM 0 HG23 THR A 107 14.106 -8.183 -24.280 1.00 53.11 H new ATOM 1675 N LYS A 108 9.627 -8.263 -23.717 1.00 23.32 N ATOM 1676 CA LYS A 108 8.596 -7.445 -24.343 1.00 50.22 C ATOM 1677 C LYS A 108 8.263 -6.233 -23.479 1.00 3.03 C ATOM 1678 O LYS A 108 8.006 -5.143 -23.992 1.00 23.11 O ATOM 1679 CB LYS A 108 7.333 -8.275 -24.584 1.00 21.24 C ATOM 1680 CG LYS A 108 7.194 -8.772 -26.012 1.00 44.54 C ATOM 1681 CD LYS A 108 6.523 -7.737 -26.900 1.00 10.45 C ATOM 1682 CE LYS A 108 5.993 -8.361 -28.181 1.00 52.12 C ATOM 1683 NZ LYS A 108 4.660 -8.993 -27.980 1.00 72.40 N ATOM 0 H LYS A 108 9.322 -9.203 -23.463 1.00 23.32 H new ATOM 0 HA LYS A 108 8.980 -7.092 -25.300 1.00 50.22 H new ATOM 0 HB2 LYS A 108 7.337 -9.131 -23.909 1.00 21.24 H new ATOM 0 HB3 LYS A 108 6.460 -7.674 -24.331 1.00 21.24 H new ATOM 0 HG2 LYS A 108 8.179 -9.012 -26.412 1.00 44.54 H new ATOM 0 HG3 LYS A 108 6.612 -9.694 -26.022 1.00 44.54 H new ATOM 0 HD2 LYS A 108 5.703 -7.267 -26.357 1.00 10.45 H new ATOM 0 HD3 LYS A 108 7.236 -6.950 -27.145 1.00 10.45 H new ATOM 0 HE2 LYS A 108 5.919 -7.596 -28.954 1.00 52.12 H new ATOM 0 HE3 LYS A 108 6.699 -9.110 -28.540 1.00 52.12 H new ATOM 0 HZ1 LYS A 108 4.333 -9.407 -28.876 1.00 72.40 H new ATOM 0 HZ2 LYS A 108 4.735 -9.740 -27.261 1.00 72.40 H new ATOM 0 HZ3 LYS A 108 3.979 -8.274 -27.662 1.00 72.40 H new ATOM 1697 N LEU A 109 8.271 -6.429 -22.165 1.00 22.31 N ATOM 1698 CA LEU A 109 7.972 -5.352 -21.228 1.00 52.44 C ATOM 1699 C LEU A 109 9.073 -4.296 -21.243 1.00 53.10 C ATOM 1700 O LEU A 109 8.803 -3.100 -21.118 1.00 61.52 O ATOM 1701 CB LEU A 109 7.804 -5.910 -19.814 1.00 72.13 C ATOM 1702 CG LEU A 109 6.389 -6.344 -19.428 1.00 4.35 C ATOM 1703 CD1 LEU A 109 6.395 -7.039 -18.075 1.00 63.10 C ATOM 1704 CD2 LEU A 109 5.451 -5.146 -19.409 1.00 74.14 C ATOM 0 H LEU A 109 8.481 -7.324 -21.724 1.00 22.31 H new ATOM 0 HA LEU A 109 7.039 -4.882 -21.539 1.00 52.44 H new ATOM 0 HB2 LEU A 109 8.469 -6.766 -19.701 1.00 72.13 H new ATOM 0 HB3 LEU A 109 8.137 -5.153 -19.104 1.00 72.13 H new ATOM 0 HG LEU A 109 6.029 -7.051 -20.176 1.00 4.35 H new ATOM 0 HD11 LEU A 109 5.380 -7.341 -17.816 1.00 63.10 H new ATOM 0 HD12 LEU A 109 7.035 -7.920 -18.121 1.00 63.10 H new ATOM 0 HD13 LEU A 109 6.774 -6.355 -17.316 1.00 63.10 H new ATOM 0 HD21 LEU A 109 4.449 -5.473 -19.132 1.00 74.14 H new ATOM 0 HD22 LEU A 109 5.808 -4.416 -18.682 1.00 74.14 H new ATOM 0 HD23 LEU A 109 5.424 -4.690 -20.398 1.00 74.14 H new ATOM 1716 N LEU A 110 10.313 -4.745 -21.398 1.00 43.32 N ATOM 1717 CA LEU A 110 11.456 -3.839 -21.432 1.00 1.41 C ATOM 1718 C LEU A 110 11.277 -2.776 -22.512 1.00 21.24 C ATOM 1719 O LEU A 110 11.801 -1.668 -22.400 1.00 40.44 O ATOM 1720 CB LEU A 110 12.746 -4.622 -21.680 1.00 62.23 C ATOM 1721 CG LEU A 110 13.538 -5.024 -20.435 1.00 73.12 C ATOM 1722 CD1 LEU A 110 12.639 -5.743 -19.441 1.00 25.13 C ATOM 1723 CD2 LEU A 110 14.723 -5.899 -20.816 1.00 73.42 C ATOM 0 H LEU A 110 10.553 -5.731 -21.502 1.00 43.32 H new ATOM 0 HA LEU A 110 11.521 -3.341 -20.465 1.00 1.41 H new ATOM 0 HB2 LEU A 110 12.497 -5.526 -22.235 1.00 62.23 H new ATOM 0 HB3 LEU A 110 13.394 -4.023 -22.320 1.00 62.23 H new ATOM 0 HG LEU A 110 13.919 -4.119 -19.961 1.00 73.12 H new ATOM 0 HD11 LEU A 110 13.219 -6.022 -18.561 1.00 25.13 H new ATOM 0 HD12 LEU A 110 11.824 -5.083 -19.144 1.00 25.13 H new ATOM 0 HD13 LEU A 110 12.229 -6.640 -19.904 1.00 25.13 H new ATOM 0 HD21 LEU A 110 15.275 -6.175 -19.918 1.00 73.42 H new ATOM 0 HD22 LEU A 110 14.365 -6.800 -21.313 1.00 73.42 H new ATOM 0 HD23 LEU A 110 15.379 -5.349 -21.490 1.00 73.42 H new ATOM 1735 N LYS A 111 10.532 -3.121 -23.556 1.00 74.30 N ATOM 1736 CA LYS A 111 10.279 -2.197 -24.655 1.00 63.23 C ATOM 1737 C LYS A 111 9.474 -0.993 -24.179 1.00 53.43 C ATOM 1738 O LYS A 111 9.490 0.066 -24.808 1.00 1.13 O ATOM 1739 CB LYS A 111 9.533 -2.909 -25.786 1.00 12.11 C ATOM 1740 CG LYS A 111 10.286 -4.097 -26.358 1.00 71.33 C ATOM 1741 CD LYS A 111 11.419 -3.654 -27.268 1.00 3.32 C ATOM 1742 CE LYS A 111 12.188 -4.844 -27.822 1.00 54.30 C ATOM 1743 NZ LYS A 111 11.516 -5.431 -29.014 1.00 72.12 N ATOM 0 H LYS A 111 10.092 -4.035 -23.664 1.00 74.30 H new ATOM 0 HA LYS A 111 11.240 -1.844 -25.028 1.00 63.23 H new ATOM 0 HB2 LYS A 111 8.565 -3.247 -25.415 1.00 12.11 H new ATOM 0 HB3 LYS A 111 9.336 -2.195 -26.586 1.00 12.11 H new ATOM 0 HG2 LYS A 111 10.687 -4.701 -25.544 1.00 71.33 H new ATOM 0 HG3 LYS A 111 9.597 -4.731 -26.916 1.00 71.33 H new ATOM 0 HD2 LYS A 111 11.016 -3.065 -28.092 1.00 3.32 H new ATOM 0 HD3 LYS A 111 12.099 -3.006 -26.715 1.00 3.32 H new ATOM 0 HE2 LYS A 111 13.197 -4.531 -28.091 1.00 54.30 H new ATOM 0 HE3 LYS A 111 12.286 -5.605 -27.048 1.00 54.30 H new ATOM 0 HZ1 LYS A 111 12.070 -6.239 -29.362 1.00 72.12 H new ATOM 0 HZ2 LYS A 111 10.562 -5.753 -28.752 1.00 72.12 H new ATOM 0 HZ3 LYS A 111 11.445 -4.712 -29.762 1.00 72.12 H new ATOM 1757 N LYS A 112 8.770 -1.160 -23.065 1.00 22.03 N ATOM 1758 CA LYS A 112 7.960 -0.086 -22.502 1.00 21.20 C ATOM 1759 C LYS A 112 8.804 0.825 -21.616 1.00 32.32 C ATOM 1760 O LYS A 112 8.536 2.021 -21.505 1.00 43.34 O ATOM 1761 CB LYS A 112 6.797 -0.667 -21.694 1.00 40.52 C ATOM 1762 CG LYS A 112 6.120 -1.849 -22.366 1.00 50.41 C ATOM 1763 CD LYS A 112 5.636 -1.494 -23.762 1.00 72.31 C ATOM 1764 CE LYS A 112 4.584 -0.397 -23.725 1.00 53.54 C ATOM 1765 NZ LYS A 112 3.442 -0.752 -22.837 1.00 45.51 N ATOM 0 H LYS A 112 8.744 -2.030 -22.533 1.00 22.03 H new ATOM 0 HA LYS A 112 7.562 0.506 -23.326 1.00 21.20 H new ATOM 0 HB2 LYS A 112 7.164 -0.977 -20.716 1.00 40.52 H new ATOM 0 HB3 LYS A 112 6.058 0.115 -21.523 1.00 40.52 H new ATOM 0 HG2 LYS A 112 6.817 -2.685 -22.423 1.00 50.41 H new ATOM 0 HG3 LYS A 112 5.276 -2.179 -21.760 1.00 50.41 H new ATOM 0 HD2 LYS A 112 6.481 -1.169 -24.369 1.00 72.31 H new ATOM 0 HD3 LYS A 112 5.221 -2.381 -24.241 1.00 72.31 H new ATOM 0 HE2 LYS A 112 5.039 0.531 -23.378 1.00 53.54 H new ATOM 0 HE3 LYS A 112 4.216 -0.213 -24.734 1.00 53.54 H new ATOM 0 HZ1 LYS A 112 2.553 -0.431 -23.270 1.00 45.51 H new ATOM 0 HZ2 LYS A 112 3.411 -1.783 -22.706 1.00 45.51 H new ATOM 0 HZ3 LYS A 112 3.564 -0.290 -21.913 1.00 45.51 H new ATOM 1779 N VAL A 113 9.825 0.251 -20.987 1.00 34.21 N ATOM 1780 CA VAL A 113 10.709 1.012 -20.113 1.00 22.34 C ATOM 1781 C VAL A 113 11.818 1.691 -20.909 1.00 14.22 C ATOM 1782 O VAL A 113 12.209 2.820 -20.611 1.00 31.35 O ATOM 1783 CB VAL A 113 11.344 0.112 -19.035 1.00 55.03 C ATOM 1784 CG1 VAL A 113 12.145 0.946 -18.047 1.00 63.45 C ATOM 1785 CG2 VAL A 113 10.272 -0.696 -18.318 1.00 44.40 C ATOM 0 H VAL A 113 10.060 -0.738 -21.067 1.00 34.21 H new ATOM 0 HA VAL A 113 10.096 1.772 -19.628 1.00 22.34 H new ATOM 0 HB VAL A 113 12.027 -0.584 -19.523 1.00 55.03 H new ATOM 0 HG11 VAL A 113 12.586 0.293 -17.293 1.00 63.45 H new ATOM 0 HG12 VAL A 113 12.937 1.476 -18.576 1.00 63.45 H new ATOM 0 HG13 VAL A 113 11.487 1.667 -17.562 1.00 63.45 H new ATOM 0 HG21 VAL A 113 10.737 -1.326 -17.560 1.00 44.40 H new ATOM 0 HG22 VAL A 113 9.563 -0.018 -17.842 1.00 44.40 H new ATOM 0 HG23 VAL A 113 9.746 -1.323 -19.038 1.00 44.40 H new ATOM 1795 N VAL A 114 12.320 0.997 -21.925 1.00 22.54 N ATOM 1796 CA VAL A 114 13.383 1.533 -22.766 1.00 41.11 C ATOM 1797 C VAL A 114 12.967 2.856 -23.400 1.00 62.44 C ATOM 1798 O VAL A 114 13.799 3.734 -23.631 1.00 35.13 O ATOM 1799 CB VAL A 114 13.772 0.542 -23.879 1.00 51.23 C ATOM 1800 CG1 VAL A 114 12.612 0.338 -24.842 1.00 11.12 C ATOM 1801 CG2 VAL A 114 15.009 1.030 -24.618 1.00 51.11 C ATOM 0 H VAL A 114 12.007 0.062 -22.186 1.00 22.54 H new ATOM 0 HA VAL A 114 14.245 1.698 -22.120 1.00 41.11 H new ATOM 0 HB VAL A 114 14.006 -0.419 -23.421 1.00 51.23 H new ATOM 0 HG11 VAL A 114 12.906 -0.365 -25.621 1.00 11.12 H new ATOM 0 HG12 VAL A 114 11.754 -0.059 -24.299 1.00 11.12 H new ATOM 0 HG13 VAL A 114 12.344 1.292 -25.296 1.00 11.12 H new ATOM 0 HG21 VAL A 114 15.270 0.318 -25.401 1.00 51.11 H new ATOM 0 HG22 VAL A 114 14.805 2.003 -25.066 1.00 51.11 H new ATOM 0 HG23 VAL A 114 15.839 1.120 -23.918 1.00 51.11 H new ATOM 1811 N ASP A 115 11.676 2.991 -23.680 1.00 74.30 N ATOM 1812 CA ASP A 115 11.148 4.207 -24.287 1.00 11.43 C ATOM 1813 C ASP A 115 11.094 5.343 -23.269 1.00 72.41 C ATOM 1814 O ASP A 115 10.855 6.498 -23.623 1.00 64.51 O ATOM 1815 CB ASP A 115 9.753 3.953 -24.860 1.00 41.13 C ATOM 1816 CG ASP A 115 9.240 5.124 -25.676 1.00 23.41 C ATOM 1817 OD1 ASP A 115 9.978 5.595 -26.567 1.00 72.32 O ATOM 1818 OD2 ASP A 115 8.101 5.568 -25.424 1.00 1.23 O ATOM 0 H ASP A 115 10.975 2.273 -23.496 1.00 74.30 H new ATOM 0 HA ASP A 115 11.817 4.499 -25.097 1.00 11.43 H new ATOM 0 HB2 ASP A 115 9.777 3.061 -25.486 1.00 41.13 H new ATOM 0 HB3 ASP A 115 9.059 3.751 -24.044 1.00 41.13 H new ATOM 1823 N LYS A 116 11.316 5.006 -22.003 1.00 13.40 N ATOM 1824 CA LYS A 116 11.293 5.996 -20.933 1.00 13.43 C ATOM 1825 C LYS A 116 12.697 6.513 -20.640 1.00 5.45 C ATOM 1826 O LYS A 116 12.955 7.715 -20.712 1.00 1.54 O ATOM 1827 CB LYS A 116 10.685 5.393 -19.665 1.00 30.44 C ATOM 1828 CG LYS A 116 9.480 4.507 -19.930 1.00 21.42 C ATOM 1829 CD LYS A 116 8.417 5.237 -20.734 1.00 22.44 C ATOM 1830 CE LYS A 116 7.892 6.453 -19.987 1.00 52.43 C ATOM 1831 NZ LYS A 116 7.276 6.081 -18.684 1.00 12.14 N ATOM 0 H LYS A 116 11.514 4.055 -21.693 1.00 13.40 H new ATOM 0 HA LYS A 116 10.677 6.834 -21.261 1.00 13.43 H new ATOM 0 HB2 LYS A 116 11.447 4.810 -19.148 1.00 30.44 H new ATOM 0 HB3 LYS A 116 10.391 6.200 -18.994 1.00 30.44 H new ATOM 0 HG2 LYS A 116 9.796 3.614 -20.469 1.00 21.42 H new ATOM 0 HG3 LYS A 116 9.056 4.174 -18.982 1.00 21.42 H new ATOM 0 HD2 LYS A 116 8.834 5.549 -21.692 1.00 22.44 H new ATOM 0 HD3 LYS A 116 7.593 4.558 -20.951 1.00 22.44 H new ATOM 0 HE2 LYS A 116 8.709 7.154 -19.815 1.00 52.43 H new ATOM 0 HE3 LYS A 116 7.155 6.967 -20.603 1.00 52.43 H new ATOM 0 HZ1 LYS A 116 6.754 6.895 -18.302 1.00 12.14 H new ATOM 0 HZ2 LYS A 116 6.621 5.285 -18.824 1.00 12.14 H new ATOM 0 HZ3 LYS A 116 8.021 5.802 -18.015 1.00 12.14 H new ATOM 1845 N HIS A 117 13.603 5.598 -20.310 1.00 3.01 N ATOM 1846 CA HIS A 117 14.983 5.962 -20.008 1.00 61.00 C ATOM 1847 C HIS A 117 15.955 5.196 -20.900 1.00 72.34 C ATOM 1848 O HIS A 117 17.071 5.648 -21.152 1.00 53.32 O ATOM 1849 CB HIS A 117 15.296 5.684 -18.537 1.00 51.44 C ATOM 1850 CG HIS A 117 14.247 6.191 -17.596 1.00 10.10 C ATOM 1851 ND1 HIS A 117 14.264 7.463 -17.064 1.00 51.34 N ATOM 1852 CD2 HIS A 117 13.144 5.589 -17.093 1.00 11.33 C ATOM 1853 CE1 HIS A 117 13.218 7.622 -16.274 1.00 33.34 C ATOM 1854 NE2 HIS A 117 12.522 6.499 -16.274 1.00 14.13 N ATOM 0 H HIS A 117 13.406 4.599 -20.245 1.00 3.01 H new ATOM 0 HA HIS A 117 15.102 7.028 -20.202 1.00 61.00 H new ATOM 0 HB2 HIS A 117 15.411 4.609 -18.395 1.00 51.44 H new ATOM 0 HB3 HIS A 117 16.252 6.143 -18.284 1.00 51.44 H new ATOM 0 HD2 HIS A 117 12.815 4.581 -17.298 1.00 11.33 H new ATOM 0 HE1 HIS A 117 12.973 8.517 -15.722 1.00 33.34 H new ATOM 0 HE2 HIS A 117 11.662 6.335 -15.751 1.00 14.13 H new ATOM 1862 N GLY A 118 15.522 4.031 -21.375 1.00 44.45 N ATOM 1863 CA GLY A 118 16.367 3.221 -22.234 1.00 34.25 C ATOM 1864 C GLY A 118 16.803 1.931 -21.567 1.00 13.32 C ATOM 1865 O GLY A 118 17.777 1.306 -21.987 1.00 2.42 O ATOM 0 H GLY A 118 14.603 3.634 -21.180 1.00 44.45 H new ATOM 0 HA2 GLY A 118 15.829 2.988 -23.153 1.00 34.25 H new ATOM 0 HA3 GLY A 118 17.249 3.796 -22.518 1.00 34.25 H new ATOM 1869 N ILE A 119 16.081 1.533 -20.524 1.00 65.34 N ATOM 1870 CA ILE A 119 16.400 0.310 -19.798 1.00 62.34 C ATOM 1871 C ILE A 119 16.444 -0.891 -20.737 1.00 34.41 C ATOM 1872 O ILE A 119 15.480 -1.170 -21.450 1.00 42.31 O ATOM 1873 CB ILE A 119 15.377 0.036 -18.680 1.00 5.22 C ATOM 1874 CG1 ILE A 119 15.335 1.210 -17.699 1.00 42.14 C ATOM 1875 CG2 ILE A 119 15.720 -1.256 -17.953 1.00 40.22 C ATOM 1876 CD1 ILE A 119 16.671 1.509 -17.056 1.00 64.41 C ATOM 0 H ILE A 119 15.272 2.039 -20.164 1.00 65.34 H new ATOM 0 HA ILE A 119 17.384 0.455 -19.352 1.00 62.34 H new ATOM 0 HB ILE A 119 14.390 -0.074 -19.130 1.00 5.22 H new ATOM 0 HG12 ILE A 119 14.987 2.099 -18.224 1.00 42.14 H new ATOM 0 HG13 ILE A 119 14.605 0.995 -16.918 1.00 42.14 H new ATOM 0 HG21 ILE A 119 14.988 -1.436 -17.166 1.00 40.22 H new ATOM 0 HG22 ILE A 119 15.705 -2.086 -18.659 1.00 40.22 H new ATOM 0 HG23 ILE A 119 16.714 -1.173 -17.512 1.00 40.22 H new ATOM 0 HD11 ILE A 119 16.566 2.352 -16.373 1.00 64.41 H new ATOM 0 HD12 ILE A 119 17.012 0.634 -16.502 1.00 64.41 H new ATOM 0 HD13 ILE A 119 17.399 1.756 -17.828 1.00 64.41 H new ATOM 1888 N ALA A 120 17.567 -1.601 -20.730 1.00 4.23 N ATOM 1889 CA ALA A 120 17.735 -2.775 -21.577 1.00 43.43 C ATOM 1890 C ALA A 120 18.100 -4.002 -20.749 1.00 71.13 C ATOM 1891 O ALA A 120 18.584 -3.882 -19.623 1.00 53.40 O ATOM 1892 CB ALA A 120 18.798 -2.514 -22.635 1.00 32.41 C ATOM 0 H ALA A 120 18.375 -1.383 -20.146 1.00 4.23 H new ATOM 0 HA ALA A 120 16.785 -2.974 -22.073 1.00 43.43 H new ATOM 0 HB1 ALA A 120 18.913 -3.399 -23.261 1.00 32.41 H new ATOM 0 HB2 ALA A 120 18.496 -1.669 -23.254 1.00 32.41 H new ATOM 0 HB3 ALA A 120 19.747 -2.287 -22.149 1.00 32.41 H new TER 1898 ALA A 120