USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=18 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 166:sc= -1.71 (180deg=-1.12) USER MOD Set 1.2: A 107 THR OG1 : rot 92:sc= 1.15 USER MOD Set 2.1: A 32 ASN : amide:sc= -2.2 K(o=-4.6,f=-6.7!) USER MOD Set 2.2: A 97 ASN : amide:sc= -2.36 K(o=-4.6,f=-7.1!) USER MOD Set 3.1: A 49 LYS NZ :NH3+ -158:sc= -0.0715 (180deg=-0.48) USER MOD Set 3.2: A 117 HIS : no HD1:sc= -0.763 K(o=-0.83,f=-0.24) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.11) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.973 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0292 (180deg=-0.375) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= 0.0681 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -66:sc= 1.04 USER MOD Single : A 43 MET CE :methyl 137:sc= -1.4 (180deg=-4.01!) USER MOD Single : A 44 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.42) USER MOD Single : A 57 GLN : amide:sc= -0.562 K(o=-0.56,f=-3.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -83:sc= 1.23 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0035) USER MOD Single : A 95 ASN : amide:sc=-0.00322 X(o=-0.0032,f=-0.26) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.186) USER MOD Single : A 106 THR OG1 : rot 163:sc= 1.07 USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.06) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= 0.625 (180deg=0.522) USER MOD Single : A 116 LYS NZ :NH3+ -131:sc= -0.189 (180deg=-2.38!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.513 -0.253 0.595 1.00 4.11 N ATOM 2 CA SER A 3 2.110 0.019 -0.708 1.00 35.04 C ATOM 3 C SER A 3 1.335 -0.686 -1.817 1.00 62.01 C ATOM 4 O SER A 3 1.146 -1.901 -1.781 1.00 70.03 O ATOM 5 CB SER A 3 3.572 -0.430 -0.726 1.00 40.44 C ATOM 6 OG SER A 3 4.219 -0.009 -1.915 1.00 3.13 O ATOM 0 HA SER A 3 2.066 1.094 -0.884 1.00 35.04 H new ATOM 0 HB2 SER A 3 4.092 -0.020 0.140 1.00 40.44 H new ATOM 0 HB3 SER A 3 3.624 -1.516 -0.645 1.00 40.44 H new ATOM 0 HG SER A 3 5.153 -0.306 -1.902 1.00 3.13 H new ATOM 12 N ASN A 4 0.890 0.087 -2.802 1.00 73.13 N ATOM 13 CA ASN A 4 0.135 -0.462 -3.923 1.00 61.30 C ATOM 14 C ASN A 4 1.024 -1.339 -4.800 1.00 10.01 C ATOM 15 O ASN A 4 0.547 -2.265 -5.455 1.00 51.23 O ATOM 16 CB ASN A 4 -0.471 0.667 -4.759 1.00 64.12 C ATOM 17 CG ASN A 4 0.588 1.517 -5.435 1.00 55.40 C ATOM 18 OD1 ASN A 4 1.069 2.497 -4.866 1.00 10.21 O ATOM 19 ND2 ASN A 4 0.954 1.145 -6.656 1.00 4.51 N ATOM 0 H ASN A 4 1.039 1.095 -2.847 1.00 73.13 H new ATOM 0 HA ASN A 4 -0.669 -1.078 -3.520 1.00 61.30 H new ATOM 0 HB2 ASN A 4 -1.130 0.242 -5.516 1.00 64.12 H new ATOM 0 HB3 ASN A 4 -1.087 1.299 -4.119 1.00 64.12 H new ATOM 0 HD21 ASN A 4 1.661 1.679 -7.161 1.00 4.51 H new ATOM 0 HD22 ASN A 4 0.528 0.325 -7.089 1.00 4.51 H new ATOM 26 N ALA A 5 2.319 -1.040 -4.806 1.00 30.43 N ATOM 27 CA ALA A 5 3.275 -1.802 -5.599 1.00 61.43 C ATOM 28 C ALA A 5 4.188 -2.636 -4.707 1.00 4.02 C ATOM 29 O ALA A 5 5.216 -3.142 -5.154 1.00 64.24 O ATOM 30 CB ALA A 5 4.098 -0.868 -6.474 1.00 70.41 C ATOM 0 H ALA A 5 2.730 -0.275 -4.270 1.00 30.43 H new ATOM 0 HA ALA A 5 2.716 -2.484 -6.240 1.00 61.43 H new ATOM 0 HB1 ALA A 5 4.808 -1.451 -7.061 1.00 70.41 H new ATOM 0 HB2 ALA A 5 3.436 -0.320 -7.145 1.00 70.41 H new ATOM 0 HB3 ALA A 5 4.640 -0.163 -5.844 1.00 70.41 H new ATOM 36 N GLY A 6 3.806 -2.774 -3.441 1.00 20.02 N ATOM 37 CA GLY A 6 4.603 -3.546 -2.505 1.00 75.54 C ATOM 38 C GLY A 6 4.644 -5.020 -2.858 1.00 35.21 C ATOM 39 O GLY A 6 5.644 -5.695 -2.617 1.00 33.33 O ATOM 0 H GLY A 6 2.959 -2.365 -3.047 1.00 20.02 H new ATOM 0 HA2 GLY A 6 5.619 -3.152 -2.486 1.00 75.54 H new ATOM 0 HA3 GLY A 6 4.196 -3.427 -1.501 1.00 75.54 H new ATOM 43 N ALA A 7 3.553 -5.521 -3.429 1.00 10.01 N ATOM 44 CA ALA A 7 3.469 -6.924 -3.815 1.00 54.13 C ATOM 45 C ALA A 7 4.487 -7.257 -4.901 1.00 15.51 C ATOM 46 O ALA A 7 5.109 -8.319 -4.877 1.00 11.23 O ATOM 47 CB ALA A 7 2.061 -7.257 -4.288 1.00 65.44 C ATOM 0 H ALA A 7 2.716 -4.976 -3.634 1.00 10.01 H new ATOM 0 HA ALA A 7 3.700 -7.531 -2.940 1.00 54.13 H new ATOM 0 HB1 ALA A 7 2.012 -8.308 -4.573 1.00 65.44 H new ATOM 0 HB2 ALA A 7 1.352 -7.066 -3.482 1.00 65.44 H new ATOM 0 HB3 ALA A 7 1.809 -6.636 -5.147 1.00 65.44 H new ATOM 53 N ILE A 8 4.650 -6.343 -5.852 1.00 3.03 N ATOM 54 CA ILE A 8 5.593 -6.540 -6.946 1.00 22.23 C ATOM 55 C ILE A 8 7.033 -6.398 -6.463 1.00 73.20 C ATOM 56 O ILE A 8 7.927 -7.104 -6.929 1.00 52.41 O ATOM 57 CB ILE A 8 5.346 -5.539 -8.089 1.00 51.14 C ATOM 58 CG1 ILE A 8 3.903 -5.645 -8.586 1.00 54.12 C ATOM 59 CG2 ILE A 8 6.323 -5.785 -9.229 1.00 45.40 C ATOM 60 CD1 ILE A 8 2.971 -4.634 -7.956 1.00 12.23 C ATOM 0 H ILE A 8 4.142 -5.459 -5.887 1.00 3.03 H new ATOM 0 HA ILE A 8 5.436 -7.552 -7.320 1.00 22.23 H new ATOM 0 HB ILE A 8 5.507 -4.530 -7.709 1.00 51.14 H new ATOM 0 HG12 ILE A 8 3.890 -5.515 -9.668 1.00 54.12 H new ATOM 0 HG13 ILE A 8 3.530 -6.648 -8.381 1.00 54.12 H new ATOM 0 HG21 ILE A 8 6.136 -5.069 -10.030 1.00 45.40 H new ATOM 0 HG22 ILE A 8 7.344 -5.664 -8.866 1.00 45.40 H new ATOM 0 HG23 ILE A 8 6.191 -6.798 -9.609 1.00 45.40 H new ATOM 0 HD11 ILE A 8 1.966 -4.768 -8.355 1.00 12.23 H new ATOM 0 HD12 ILE A 8 2.955 -4.778 -6.876 1.00 12.23 H new ATOM 0 HD13 ILE A 8 3.320 -3.627 -8.183 1.00 12.23 H new ATOM 72 N ALA A 9 7.249 -5.482 -5.525 1.00 33.13 N ATOM 73 CA ALA A 9 8.579 -5.250 -4.976 1.00 32.15 C ATOM 74 C ALA A 9 9.022 -6.417 -4.100 1.00 25.01 C ATOM 75 O ALA A 9 10.212 -6.719 -4.006 1.00 4.04 O ATOM 76 CB ALA A 9 8.603 -3.953 -4.181 1.00 52.41 C ATOM 0 H ALA A 9 6.520 -4.888 -5.129 1.00 33.13 H new ATOM 0 HA ALA A 9 9.279 -5.167 -5.807 1.00 32.15 H new ATOM 0 HB1 ALA A 9 9.602 -3.792 -3.777 1.00 52.41 H new ATOM 0 HB2 ALA A 9 8.338 -3.121 -4.834 1.00 52.41 H new ATOM 0 HB3 ALA A 9 7.886 -4.015 -3.362 1.00 52.41 H new ATOM 82 N LYS A 10 8.059 -7.070 -3.460 1.00 34.22 N ATOM 83 CA LYS A 10 8.349 -8.205 -2.592 1.00 31.05 C ATOM 84 C LYS A 10 8.864 -9.391 -3.400 1.00 62.14 C ATOM 85 O LYS A 10 9.403 -10.349 -2.843 1.00 50.52 O ATOM 86 CB LYS A 10 7.096 -8.611 -1.813 1.00 32.24 C ATOM 87 CG LYS A 10 7.396 -9.334 -0.511 1.00 4.32 C ATOM 88 CD LYS A 10 8.043 -8.407 0.505 1.00 14.31 C ATOM 89 CE LYS A 10 7.754 -8.853 1.930 1.00 35.21 C ATOM 90 NZ LYS A 10 6.385 -8.462 2.367 1.00 12.20 N ATOM 0 H LYS A 10 7.069 -6.832 -3.526 1.00 34.22 H new ATOM 0 HA LYS A 10 9.125 -7.903 -1.889 1.00 31.05 H new ATOM 0 HB2 LYS A 10 6.508 -7.719 -1.596 1.00 32.24 H new ATOM 0 HB3 LYS A 10 6.480 -9.254 -2.442 1.00 32.24 H new ATOM 0 HG2 LYS A 10 6.473 -9.740 -0.098 1.00 4.32 H new ATOM 0 HG3 LYS A 10 8.056 -10.179 -0.707 1.00 4.32 H new ATOM 0 HD2 LYS A 10 9.120 -8.382 0.342 1.00 14.31 H new ATOM 0 HD3 LYS A 10 7.675 -7.392 0.359 1.00 14.31 H new ATOM 0 HE2 LYS A 10 7.863 -9.935 2.001 1.00 35.21 H new ATOM 0 HE3 LYS A 10 8.490 -8.414 2.604 1.00 35.21 H new ATOM 0 HZ1 LYS A 10 6.227 -8.784 3.343 1.00 12.20 H new ATOM 0 HZ2 LYS A 10 6.289 -7.427 2.324 1.00 12.20 H new ATOM 0 HZ3 LYS A 10 5.682 -8.901 1.739 1.00 12.20 H new ATOM 104 N LEU A 11 8.697 -9.321 -4.716 1.00 60.24 N ATOM 105 CA LEU A 11 9.147 -10.389 -5.603 1.00 11.04 C ATOM 106 C LEU A 11 10.644 -10.278 -5.873 1.00 0.21 C ATOM 107 O LEU A 11 11.288 -11.252 -6.263 1.00 22.12 O ATOM 108 CB LEU A 11 8.374 -10.343 -6.922 1.00 22.10 C ATOM 109 CG LEU A 11 6.888 -9.999 -6.818 1.00 31.23 C ATOM 110 CD1 LEU A 11 6.277 -9.846 -8.202 1.00 2.50 C ATOM 111 CD2 LEU A 11 6.149 -11.065 -6.022 1.00 15.11 C ATOM 0 H LEU A 11 8.253 -8.536 -5.193 1.00 60.24 H new ATOM 0 HA LEU A 11 8.955 -11.342 -5.110 1.00 11.04 H new ATOM 0 HB2 LEU A 11 8.851 -9.611 -7.574 1.00 22.10 H new ATOM 0 HB3 LEU A 11 8.468 -11.313 -7.409 1.00 22.10 H new ATOM 0 HG LEU A 11 6.791 -9.048 -6.293 1.00 31.23 H new ATOM 0 HD11 LEU A 11 5.219 -9.601 -8.108 1.00 2.50 H new ATOM 0 HD12 LEU A 11 6.788 -9.047 -8.739 1.00 2.50 H new ATOM 0 HD13 LEU A 11 6.386 -10.780 -8.753 1.00 2.50 H new ATOM 0 HD21 LEU A 11 5.093 -10.804 -5.958 1.00 15.11 H new ATOM 0 HD22 LEU A 11 6.255 -12.029 -6.519 1.00 15.11 H new ATOM 0 HD23 LEU A 11 6.569 -11.126 -5.018 1.00 15.11 H new ATOM 123 N ILE A 12 11.191 -9.086 -5.661 1.00 42.32 N ATOM 124 CA ILE A 12 12.613 -8.849 -5.879 1.00 11.33 C ATOM 125 C ILE A 12 13.463 -9.824 -5.071 1.00 14.21 C ATOM 126 O ILE A 12 14.280 -10.569 -5.612 1.00 32.34 O ATOM 127 CB ILE A 12 13.007 -7.408 -5.503 1.00 65.21 C ATOM 128 CG1 ILE A 12 12.817 -6.475 -6.701 1.00 24.31 C ATOM 129 CG2 ILE A 12 14.447 -7.364 -5.014 1.00 23.04 C ATOM 130 CD1 ILE A 12 13.767 -6.758 -7.844 1.00 5.14 C ATOM 0 H ILE A 12 10.672 -8.269 -5.339 1.00 42.32 H new ATOM 0 HA ILE A 12 12.800 -9.003 -6.942 1.00 11.33 H new ATOM 0 HB ILE A 12 12.358 -7.068 -4.695 1.00 65.21 H new ATOM 0 HG12 ILE A 12 11.792 -6.563 -7.061 1.00 24.31 H new ATOM 0 HG13 ILE A 12 12.952 -5.444 -6.374 1.00 24.31 H new ATOM 0 HG21 ILE A 12 14.711 -6.339 -4.752 1.00 23.04 H new ATOM 0 HG22 ILE A 12 14.553 -8.002 -4.136 1.00 23.04 H new ATOM 0 HG23 ILE A 12 15.110 -7.719 -5.803 1.00 23.04 H new ATOM 0 HD11 ILE A 12 13.575 -6.059 -8.658 1.00 5.14 H new ATOM 0 HD12 ILE A 12 14.795 -6.641 -7.500 1.00 5.14 H new ATOM 0 HD13 ILE A 12 13.616 -7.778 -8.198 1.00 5.14 H new ATOM 142 N PRO A 13 13.266 -9.821 -3.744 1.00 71.31 N ATOM 143 CA PRO A 13 14.003 -10.702 -2.833 1.00 2.41 C ATOM 144 C PRO A 13 13.601 -12.164 -2.988 1.00 63.34 C ATOM 145 O PRO A 13 14.370 -13.069 -2.661 1.00 41.41 O ATOM 146 CB PRO A 13 13.612 -10.184 -1.446 1.00 64.23 C ATOM 147 CG PRO A 13 12.285 -9.537 -1.643 1.00 70.45 C ATOM 148 CD PRO A 13 12.308 -8.959 -3.031 1.00 62.24 C ATOM 0 HA PRO A 13 15.076 -10.681 -3.025 1.00 2.41 H new ATOM 0 HB2 PRO A 13 13.552 -10.997 -0.722 1.00 64.23 H new ATOM 0 HB3 PRO A 13 14.347 -9.473 -1.067 1.00 64.23 H new ATOM 0 HG2 PRO A 13 11.478 -10.262 -1.535 1.00 70.45 H new ATOM 0 HG3 PRO A 13 12.116 -8.759 -0.899 1.00 70.45 H new ATOM 0 HD2 PRO A 13 11.322 -8.986 -3.494 1.00 62.24 H new ATOM 0 HD3 PRO A 13 12.630 -7.918 -3.027 1.00 62.24 H new ATOM 156 N LYS A 14 12.392 -12.391 -3.490 1.00 40.34 N ATOM 157 CA LYS A 14 11.888 -13.744 -3.691 1.00 54.15 C ATOM 158 C LYS A 14 12.859 -14.567 -4.531 1.00 31.50 C ATOM 159 O LYS A 14 13.050 -15.760 -4.287 1.00 2.43 O ATOM 160 CB LYS A 14 10.517 -13.704 -4.371 1.00 50.50 C ATOM 161 CG LYS A 14 9.368 -14.060 -3.444 1.00 13.50 C ATOM 162 CD LYS A 14 8.140 -14.501 -4.222 1.00 72.33 C ATOM 163 CE LYS A 14 8.041 -16.017 -4.294 1.00 31.42 C ATOM 164 NZ LYS A 14 7.386 -16.588 -3.084 1.00 63.21 N ATOM 0 H LYS A 14 11.742 -11.654 -3.765 1.00 40.34 H new ATOM 0 HA LYS A 14 11.789 -14.217 -2.714 1.00 54.15 H new ATOM 0 HB2 LYS A 14 10.350 -12.706 -4.776 1.00 50.50 H new ATOM 0 HB3 LYS A 14 10.519 -14.394 -5.215 1.00 50.50 H new ATOM 0 HG2 LYS A 14 9.678 -14.858 -2.769 1.00 13.50 H new ATOM 0 HG3 LYS A 14 9.118 -13.198 -2.826 1.00 13.50 H new ATOM 0 HD2 LYS A 14 7.244 -14.099 -3.749 1.00 72.33 H new ATOM 0 HD3 LYS A 14 8.180 -14.090 -5.231 1.00 72.33 H new ATOM 0 HE2 LYS A 14 7.476 -16.302 -5.182 1.00 31.42 H new ATOM 0 HE3 LYS A 14 9.039 -16.442 -4.401 1.00 31.42 H new ATOM 0 HZ1 LYS A 14 7.337 -17.623 -3.171 1.00 63.21 H new ATOM 0 HZ2 LYS A 14 7.938 -16.337 -2.239 1.00 63.21 H new ATOM 0 HZ3 LYS A 14 6.424 -16.203 -2.995 1.00 63.21 H new ATOM 178 N LEU A 15 13.471 -13.925 -5.520 1.00 20.04 N ATOM 179 CA LEU A 15 14.425 -14.598 -6.395 1.00 34.13 C ATOM 180 C LEU A 15 15.828 -14.564 -5.799 1.00 23.21 C ATOM 181 O LEU A 15 16.659 -15.424 -6.091 1.00 14.31 O ATOM 182 CB LEU A 15 14.429 -13.943 -7.777 1.00 11.21 C ATOM 183 CG LEU A 15 13.115 -14.010 -8.556 1.00 32.22 C ATOM 184 CD1 LEU A 15 12.929 -12.758 -9.399 1.00 21.13 C ATOM 185 CD2 LEU A 15 13.077 -15.255 -9.431 1.00 13.24 C ATOM 0 H LEU A 15 13.324 -12.939 -5.736 1.00 20.04 H new ATOM 0 HA LEU A 15 14.118 -15.639 -6.494 1.00 34.13 H new ATOM 0 HB2 LEU A 15 14.705 -12.895 -7.659 1.00 11.21 H new ATOM 0 HB3 LEU A 15 15.208 -14.413 -8.377 1.00 11.21 H new ATOM 0 HG LEU A 15 12.294 -14.067 -7.841 1.00 32.22 H new ATOM 0 HD11 LEU A 15 11.989 -12.824 -9.946 1.00 21.13 H new ATOM 0 HD12 LEU A 15 12.911 -11.882 -8.750 1.00 21.13 H new ATOM 0 HD13 LEU A 15 13.754 -12.669 -10.106 1.00 21.13 H new ATOM 0 HD21 LEU A 15 12.135 -15.287 -9.978 1.00 13.24 H new ATOM 0 HD22 LEU A 15 13.906 -15.228 -10.138 1.00 13.24 H new ATOM 0 HD23 LEU A 15 13.163 -16.143 -8.804 1.00 13.24 H new ATOM 197 N GLY A 16 16.086 -13.565 -4.960 1.00 33.43 N ATOM 198 CA GLY A 16 17.389 -13.439 -4.334 1.00 61.31 C ATOM 199 C GLY A 16 17.745 -14.645 -3.487 1.00 71.23 C ATOM 200 O GLY A 16 18.921 -14.943 -3.285 1.00 24.50 O ATOM 0 H GLY A 16 15.415 -12.841 -4.703 1.00 33.43 H new ATOM 0 HA2 GLY A 16 18.147 -13.304 -5.105 1.00 61.31 H new ATOM 0 HA3 GLY A 16 17.404 -12.544 -3.711 1.00 61.31 H new ATOM 204 N GLU A 17 16.726 -15.339 -2.990 1.00 54.12 N ATOM 205 CA GLU A 17 16.938 -16.517 -2.158 1.00 61.43 C ATOM 206 C GLU A 17 17.797 -17.549 -2.885 1.00 11.42 C ATOM 207 O GLU A 17 18.573 -18.276 -2.263 1.00 50.24 O ATOM 208 CB GLU A 17 15.597 -17.140 -1.765 1.00 71.34 C ATOM 209 CG GLU A 17 15.587 -17.731 -0.366 1.00 30.43 C ATOM 210 CD GLU A 17 15.768 -16.681 0.713 1.00 51.35 C ATOM 211 OE1 GLU A 17 14.994 -15.701 0.723 1.00 35.33 O ATOM 212 OE2 GLU A 17 16.685 -16.839 1.546 1.00 15.31 O ATOM 0 H GLU A 17 15.746 -15.106 -3.149 1.00 54.12 H new ATOM 0 HA GLU A 17 17.463 -16.203 -1.256 1.00 61.43 H new ATOM 0 HB2 GLU A 17 14.819 -16.380 -1.835 1.00 71.34 H new ATOM 0 HB3 GLU A 17 15.345 -17.921 -2.482 1.00 71.34 H new ATOM 0 HG2 GLU A 17 14.645 -18.254 -0.204 1.00 30.43 H new ATOM 0 HG3 GLU A 17 16.382 -18.472 -0.283 1.00 30.43 H new ATOM 219 N LEU A 18 17.652 -17.606 -4.204 1.00 71.40 N ATOM 220 CA LEU A 18 18.413 -18.549 -5.017 1.00 4.51 C ATOM 221 C LEU A 18 19.731 -17.932 -5.475 1.00 2.25 C ATOM 222 O LEU A 18 20.605 -18.625 -5.998 1.00 54.33 O ATOM 223 CB LEU A 18 17.592 -18.984 -6.232 1.00 21.45 C ATOM 224 CG LEU A 18 16.741 -20.241 -6.050 1.00 35.40 C ATOM 225 CD1 LEU A 18 17.618 -21.437 -5.713 1.00 3.31 C ATOM 226 CD2 LEU A 18 15.693 -20.024 -4.968 1.00 22.45 C ATOM 0 H LEU A 18 17.015 -17.011 -4.734 1.00 71.40 H new ATOM 0 HA LEU A 18 18.635 -19.423 -4.404 1.00 4.51 H new ATOM 0 HB2 LEU A 18 16.935 -18.162 -6.515 1.00 21.45 H new ATOM 0 HB3 LEU A 18 18.274 -19.148 -7.066 1.00 21.45 H new ATOM 0 HG LEU A 18 16.228 -20.447 -6.989 1.00 35.40 H new ATOM 0 HD11 LEU A 18 16.994 -22.322 -5.587 1.00 3.31 H new ATOM 0 HD12 LEU A 18 18.329 -21.606 -6.522 1.00 3.31 H new ATOM 0 HD13 LEU A 18 18.161 -21.241 -4.788 1.00 3.31 H new ATOM 0 HD21 LEU A 18 15.097 -20.929 -4.852 1.00 22.45 H new ATOM 0 HD22 LEU A 18 16.187 -19.792 -4.024 1.00 22.45 H new ATOM 0 HD23 LEU A 18 15.044 -19.196 -5.251 1.00 22.45 H new ATOM 238 N LEU A 19 19.869 -16.626 -5.272 1.00 22.21 N ATOM 239 CA LEU A 19 21.082 -15.915 -5.662 1.00 21.45 C ATOM 240 C LEU A 19 22.048 -15.802 -4.486 1.00 52.54 C ATOM 241 O LEU A 19 23.203 -15.411 -4.654 1.00 41.32 O ATOM 242 CB LEU A 19 20.734 -14.522 -6.187 1.00 15.31 C ATOM 243 CG LEU A 19 20.650 -14.379 -7.707 1.00 11.10 C ATOM 244 CD1 LEU A 19 22.033 -14.483 -8.330 1.00 23.21 C ATOM 245 CD2 LEU A 19 19.719 -15.432 -8.291 1.00 42.31 C ATOM 0 H LEU A 19 19.156 -16.038 -4.840 1.00 22.21 H new ATOM 0 HA LEU A 19 21.568 -16.483 -6.455 1.00 21.45 H new ATOM 0 HB2 LEU A 19 19.776 -14.224 -5.761 1.00 15.31 H new ATOM 0 HB3 LEU A 19 21.480 -13.819 -5.817 1.00 15.31 H new ATOM 0 HG LEU A 19 20.243 -13.395 -7.938 1.00 11.10 H new ATOM 0 HD11 LEU A 19 21.953 -14.379 -9.412 1.00 23.21 H new ATOM 0 HD12 LEU A 19 22.670 -13.692 -7.935 1.00 23.21 H new ATOM 0 HD13 LEU A 19 22.468 -15.453 -8.090 1.00 23.21 H new ATOM 0 HD21 LEU A 19 19.671 -15.315 -9.374 1.00 42.31 H new ATOM 0 HD22 LEU A 19 20.096 -16.426 -8.049 1.00 42.31 H new ATOM 0 HD23 LEU A 19 18.722 -15.310 -7.869 1.00 42.31 H new ATOM 257 N VAL A 20 21.567 -16.148 -3.296 1.00 42.43 N ATOM 258 CA VAL A 20 22.389 -16.088 -2.093 1.00 55.52 C ATOM 259 C VAL A 20 23.305 -17.302 -1.992 1.00 52.21 C ATOM 260 O VAL A 20 24.381 -17.233 -1.399 1.00 75.42 O ATOM 261 CB VAL A 20 21.520 -16.007 -0.824 1.00 13.31 C ATOM 262 CG1 VAL A 20 20.569 -14.822 -0.902 1.00 73.22 C ATOM 263 CG2 VAL A 20 20.753 -17.304 -0.620 1.00 74.44 C ATOM 0 H VAL A 20 20.613 -16.473 -3.139 1.00 42.43 H new ATOM 0 HA VAL A 20 22.995 -15.185 -2.168 1.00 55.52 H new ATOM 0 HB VAL A 20 22.175 -15.860 0.035 1.00 13.31 H new ATOM 0 HG11 VAL A 20 19.963 -14.781 0.003 1.00 73.22 H new ATOM 0 HG12 VAL A 20 21.143 -13.900 -0.996 1.00 73.22 H new ATOM 0 HG13 VAL A 20 19.918 -14.934 -1.769 1.00 73.22 H new ATOM 0 HG21 VAL A 20 20.144 -17.229 0.281 1.00 74.44 H new ATOM 0 HG22 VAL A 20 20.108 -17.484 -1.480 1.00 74.44 H new ATOM 0 HG23 VAL A 20 21.456 -18.130 -0.515 1.00 74.44 H new ATOM 273 N GLY A 21 22.871 -18.414 -2.577 1.00 34.54 N ATOM 274 CA GLY A 21 23.664 -19.629 -2.541 1.00 70.14 C ATOM 275 C GLY A 21 23.227 -20.576 -1.441 1.00 54.42 C ATOM 276 O GLY A 21 24.030 -21.353 -0.927 1.00 62.15 O ATOM 0 H GLY A 21 21.985 -18.495 -3.075 1.00 34.54 H new ATOM 0 HA2 GLY A 21 23.590 -20.136 -3.503 1.00 70.14 H new ATOM 0 HA3 GLY A 21 24.713 -19.370 -2.397 1.00 70.14 H new ATOM 280 N GLU A 22 21.950 -20.509 -1.078 1.00 14.31 N ATOM 281 CA GLU A 22 21.408 -21.365 -0.029 1.00 65.43 C ATOM 282 C GLU A 22 20.545 -22.474 -0.624 1.00 61.21 C ATOM 283 O GLU A 22 19.316 -22.409 -0.582 1.00 63.21 O ATOM 284 CB GLU A 22 20.585 -20.539 0.961 1.00 24.01 C ATOM 285 CG GLU A 22 20.010 -21.357 2.105 1.00 10.54 C ATOM 286 CD GLU A 22 19.869 -20.553 3.383 1.00 1.25 C ATOM 287 OE1 GLU A 22 18.918 -19.750 3.478 1.00 12.42 O ATOM 288 OE2 GLU A 22 20.711 -20.728 4.289 1.00 10.23 O ATOM 0 H GLU A 22 21.272 -19.871 -1.495 1.00 14.31 H new ATOM 0 HA GLU A 22 22.245 -21.822 0.499 1.00 65.43 H new ATOM 0 HB2 GLU A 22 21.212 -19.748 1.371 1.00 24.01 H new ATOM 0 HB3 GLU A 22 19.769 -20.054 0.426 1.00 24.01 H new ATOM 0 HG2 GLU A 22 19.034 -21.745 1.815 1.00 10.54 H new ATOM 0 HG3 GLU A 22 20.653 -22.218 2.290 1.00 10.54 H new ATOM 295 N TYR A 23 21.197 -23.490 -1.178 1.00 70.41 N ATOM 296 CA TYR A 23 20.490 -24.612 -1.784 1.00 62.35 C ATOM 297 C TYR A 23 21.455 -25.744 -2.124 1.00 72.34 C ATOM 298 O TYR A 23 22.664 -25.628 -1.924 1.00 10.43 O ATOM 299 CB TYR A 23 19.755 -24.157 -3.046 1.00 63.25 C ATOM 300 CG TYR A 23 20.596 -23.292 -3.958 1.00 11.43 C ATOM 301 CD1 TYR A 23 20.674 -21.918 -3.766 1.00 41.22 C ATOM 302 CD2 TYR A 23 21.313 -23.848 -5.010 1.00 31.22 C ATOM 303 CE1 TYR A 23 21.440 -21.123 -4.597 1.00 22.22 C ATOM 304 CE2 TYR A 23 22.083 -23.061 -5.845 1.00 32.44 C ATOM 305 CZ TYR A 23 22.143 -21.700 -5.634 1.00 52.44 C ATOM 306 OH TYR A 23 22.908 -20.912 -6.463 1.00 43.32 O ATOM 0 H TYR A 23 22.214 -23.560 -1.220 1.00 70.41 H new ATOM 0 HA TYR A 23 19.763 -24.983 -1.062 1.00 62.35 H new ATOM 0 HB2 TYR A 23 19.421 -25.035 -3.598 1.00 63.25 H new ATOM 0 HB3 TYR A 23 18.862 -23.604 -2.756 1.00 63.25 H new ATOM 0 HD1 TYR A 23 20.127 -21.464 -2.953 1.00 41.22 H new ATOM 0 HD2 TYR A 23 21.268 -24.914 -5.178 1.00 31.22 H new ATOM 0 HE1 TYR A 23 21.488 -20.056 -4.436 1.00 22.22 H new ATOM 0 HE2 TYR A 23 22.635 -23.509 -6.658 1.00 32.44 H new ATOM 0 HH TYR A 23 23.669 -21.431 -6.798 1.00 43.32 H new ATOM 316 N LYS A 24 20.911 -26.841 -2.642 1.00 0.25 N ATOM 317 CA LYS A 24 21.721 -27.995 -3.012 1.00 72.25 C ATOM 318 C LYS A 24 21.816 -28.129 -4.529 1.00 54.40 C ATOM 319 O LYS A 24 21.393 -29.134 -5.102 1.00 14.13 O ATOM 320 CB LYS A 24 21.129 -29.273 -2.413 1.00 71.05 C ATOM 321 CG LYS A 24 21.571 -29.536 -0.984 1.00 60.34 C ATOM 322 CD LYS A 24 20.681 -28.819 0.016 1.00 14.40 C ATOM 323 CE LYS A 24 20.933 -29.304 1.435 1.00 11.23 C ATOM 324 NZ LYS A 24 20.533 -30.727 1.614 1.00 30.12 N ATOM 0 H LYS A 24 19.912 -26.954 -2.815 1.00 0.25 H new ATOM 0 HA LYS A 24 22.725 -27.845 -2.614 1.00 72.25 H new ATOM 0 HB2 LYS A 24 20.041 -29.208 -2.442 1.00 71.05 H new ATOM 0 HB3 LYS A 24 21.414 -30.122 -3.035 1.00 71.05 H new ATOM 0 HG2 LYS A 24 21.551 -30.608 -0.787 1.00 60.34 H new ATOM 0 HG3 LYS A 24 22.602 -29.208 -0.855 1.00 60.34 H new ATOM 0 HD2 LYS A 24 20.861 -27.745 -0.040 1.00 14.40 H new ATOM 0 HD3 LYS A 24 19.635 -28.981 -0.245 1.00 14.40 H new ATOM 0 HE2 LYS A 24 21.990 -29.191 1.675 1.00 11.23 H new ATOM 0 HE3 LYS A 24 20.379 -28.680 2.136 1.00 11.23 H new ATOM 0 HZ1 LYS A 24 20.395 -30.924 2.626 1.00 30.12 H new ATOM 0 HZ2 LYS A 24 19.645 -30.905 1.102 1.00 30.12 H new ATOM 0 HZ3 LYS A 24 21.279 -31.347 1.239 1.00 30.12 H new ATOM 338 N LEU A 25 22.374 -27.110 -5.174 1.00 71.41 N ATOM 339 CA LEU A 25 22.526 -27.115 -6.625 1.00 12.30 C ATOM 340 C LEU A 25 23.818 -26.418 -7.039 1.00 52.33 C ATOM 341 O LEU A 25 24.511 -25.828 -6.210 1.00 23.54 O ATOM 342 CB LEU A 25 21.328 -26.429 -7.285 1.00 5.51 C ATOM 343 CG LEU A 25 19.952 -26.803 -6.733 1.00 44.30 C ATOM 344 CD1 LEU A 25 18.906 -25.792 -7.178 1.00 23.34 C ATOM 345 CD2 LEU A 25 19.564 -28.206 -7.176 1.00 14.31 C ATOM 0 H LEU A 25 22.728 -26.271 -4.716 1.00 71.41 H new ATOM 0 HA LEU A 25 22.572 -28.152 -6.958 1.00 12.30 H new ATOM 0 HB2 LEU A 25 21.455 -25.351 -7.190 1.00 5.51 H new ATOM 0 HB3 LEU A 25 21.345 -26.659 -8.350 1.00 5.51 H new ATOM 0 HG LEU A 25 20.001 -26.788 -5.644 1.00 44.30 H new ATOM 0 HD11 LEU A 25 17.933 -26.074 -6.776 1.00 23.34 H new ATOM 0 HD12 LEU A 25 19.177 -24.802 -6.811 1.00 23.34 H new ATOM 0 HD13 LEU A 25 18.857 -25.774 -8.267 1.00 23.34 H new ATOM 0 HD21 LEU A 25 18.582 -28.456 -6.774 1.00 14.31 H new ATOM 0 HD22 LEU A 25 19.532 -28.248 -8.265 1.00 14.31 H new ATOM 0 HD23 LEU A 25 20.300 -28.921 -6.807 1.00 14.31 H new ATOM 357 N HIS A 26 24.134 -26.487 -8.328 1.00 65.04 N ATOM 358 CA HIS A 26 25.342 -25.860 -8.854 1.00 21.02 C ATOM 359 C HIS A 26 25.101 -24.384 -9.154 1.00 40.34 C ATOM 360 O HIS A 26 23.982 -23.887 -9.025 1.00 32.35 O ATOM 361 CB HIS A 26 25.807 -26.581 -10.119 1.00 41.25 C ATOM 362 CG HIS A 26 26.731 -27.729 -9.850 1.00 51.50 C ATOM 363 ND1 HIS A 26 26.654 -28.506 -8.714 1.00 13.02 N ATOM 364 CD2 HIS A 26 27.755 -28.230 -10.578 1.00 65.25 C ATOM 365 CE1 HIS A 26 27.592 -29.435 -8.754 1.00 60.01 C ATOM 366 NE2 HIS A 26 28.274 -29.290 -9.876 1.00 2.22 N ATOM 0 H HIS A 26 23.571 -26.970 -9.028 1.00 65.04 H new ATOM 0 HA HIS A 26 26.121 -25.936 -8.095 1.00 21.02 H new ATOM 0 HB2 HIS A 26 24.934 -26.947 -10.660 1.00 41.25 H new ATOM 0 HB3 HIS A 26 26.309 -25.866 -10.771 1.00 41.25 H new ATOM 0 HD2 HIS A 26 28.100 -27.864 -11.534 1.00 65.25 H new ATOM 0 HE1 HIS A 26 27.771 -30.185 -7.998 1.00 60.01 H new ATOM 0 HE2 HIS A 26 29.058 -29.871 -10.173 1.00 2.22 H new ATOM 374 N LYS A 27 26.158 -23.686 -9.556 1.00 23.40 N ATOM 375 CA LYS A 27 26.063 -22.267 -9.876 1.00 31.03 C ATOM 376 C LYS A 27 25.291 -22.052 -11.174 1.00 30.43 C ATOM 377 O LYS A 27 24.706 -20.992 -11.392 1.00 24.15 O ATOM 378 CB LYS A 27 27.460 -21.655 -9.994 1.00 4.32 C ATOM 379 CG LYS A 27 27.501 -20.168 -9.685 1.00 61.03 C ATOM 380 CD LYS A 27 27.521 -19.909 -8.188 1.00 63.51 C ATOM 381 CE LYS A 27 28.890 -20.198 -7.591 1.00 43.42 C ATOM 382 NZ LYS A 27 29.013 -19.670 -6.204 1.00 52.21 N ATOM 0 H LYS A 27 27.092 -24.081 -9.668 1.00 23.40 H new ATOM 0 HA LYS A 27 25.524 -21.773 -9.067 1.00 31.03 H new ATOM 0 HB2 LYS A 27 28.135 -22.177 -9.316 1.00 4.32 H new ATOM 0 HB3 LYS A 27 27.835 -21.818 -11.004 1.00 4.32 H new ATOM 0 HG2 LYS A 27 28.385 -19.725 -10.144 1.00 61.03 H new ATOM 0 HG3 LYS A 27 26.633 -19.680 -10.128 1.00 61.03 H new ATOM 0 HD2 LYS A 27 27.250 -18.871 -7.993 1.00 63.51 H new ATOM 0 HD3 LYS A 27 26.771 -20.531 -7.700 1.00 63.51 H new ATOM 0 HE2 LYS A 27 29.065 -21.274 -7.587 1.00 43.42 H new ATOM 0 HE3 LYS A 27 29.661 -19.752 -8.219 1.00 43.42 H new ATOM 0 HZ1 LYS A 27 29.960 -19.887 -5.833 1.00 52.21 H new ATOM 0 HZ2 LYS A 27 28.872 -18.640 -6.211 1.00 52.21 H new ATOM 0 HZ3 LYS A 27 28.293 -20.114 -5.598 1.00 52.21 H new ATOM 396 N GLY A 28 25.292 -23.067 -12.033 1.00 23.32 N ATOM 397 CA GLY A 28 24.588 -22.969 -13.298 1.00 33.53 C ATOM 398 C GLY A 28 23.139 -22.557 -13.124 1.00 63.51 C ATOM 399 O GLY A 28 22.542 -21.967 -14.024 1.00 60.03 O ATOM 0 H GLY A 28 25.768 -23.955 -11.875 1.00 23.32 H new ATOM 0 HA2 GLY A 28 25.094 -22.245 -13.937 1.00 33.53 H new ATOM 0 HA3 GLY A 28 24.630 -23.931 -13.810 1.00 33.53 H new ATOM 403 N VAL A 29 22.571 -22.871 -11.964 1.00 5.43 N ATOM 404 CA VAL A 29 21.184 -22.530 -11.675 1.00 54.31 C ATOM 405 C VAL A 29 21.018 -21.029 -11.466 1.00 45.43 C ATOM 406 O VAL A 29 19.972 -20.458 -11.777 1.00 24.40 O ATOM 407 CB VAL A 29 20.672 -23.270 -10.425 1.00 60.11 C ATOM 408 CG1 VAL A 29 19.178 -23.049 -10.247 1.00 53.43 C ATOM 409 CG2 VAL A 29 20.992 -24.754 -10.517 1.00 61.44 C ATOM 0 H VAL A 29 23.051 -23.361 -11.209 1.00 5.43 H new ATOM 0 HA VAL A 29 20.596 -22.841 -12.539 1.00 54.31 H new ATOM 0 HB VAL A 29 21.181 -22.865 -9.551 1.00 60.11 H new ATOM 0 HG11 VAL A 29 18.835 -23.580 -9.359 1.00 53.43 H new ATOM 0 HG12 VAL A 29 18.979 -21.983 -10.133 1.00 53.43 H new ATOM 0 HG13 VAL A 29 18.648 -23.425 -11.122 1.00 53.43 H new ATOM 0 HG21 VAL A 29 20.623 -25.262 -9.626 1.00 61.44 H new ATOM 0 HG22 VAL A 29 20.511 -25.176 -11.400 1.00 61.44 H new ATOM 0 HG23 VAL A 29 22.071 -24.890 -10.592 1.00 61.44 H new ATOM 419 N LYS A 30 22.059 -20.392 -10.938 1.00 75.42 N ATOM 420 CA LYS A 30 22.031 -18.956 -10.689 1.00 23.14 C ATOM 421 C LYS A 30 21.852 -18.181 -11.990 1.00 75.10 C ATOM 422 O LYS A 30 21.342 -17.060 -11.992 1.00 71.31 O ATOM 423 CB LYS A 30 23.321 -18.514 -9.993 1.00 51.13 C ATOM 424 CG LYS A 30 23.409 -18.951 -8.541 1.00 45.42 C ATOM 425 CD LYS A 30 24.609 -18.330 -7.845 1.00 31.34 C ATOM 426 CE LYS A 30 24.257 -16.991 -7.216 1.00 41.41 C ATOM 427 NZ LYS A 30 25.442 -16.346 -6.585 1.00 51.43 N ATOM 0 H LYS A 30 22.932 -20.849 -10.675 1.00 75.42 H new ATOM 0 HA LYS A 30 21.182 -18.741 -10.040 1.00 23.14 H new ATOM 0 HB2 LYS A 30 24.174 -18.918 -10.538 1.00 51.13 H new ATOM 0 HB3 LYS A 30 23.397 -17.428 -10.042 1.00 51.13 H new ATOM 0 HG2 LYS A 30 22.496 -18.666 -8.018 1.00 45.42 H new ATOM 0 HG3 LYS A 30 23.480 -20.038 -8.490 1.00 45.42 H new ATOM 0 HD2 LYS A 30 24.976 -19.009 -7.076 1.00 31.34 H new ATOM 0 HD3 LYS A 30 25.418 -18.194 -8.563 1.00 31.34 H new ATOM 0 HE2 LYS A 30 23.846 -16.329 -7.978 1.00 41.41 H new ATOM 0 HE3 LYS A 30 23.480 -17.135 -6.466 1.00 41.41 H new ATOM 0 HZ1 LYS A 30 25.142 -15.818 -5.741 1.00 51.43 H new ATOM 0 HZ2 LYS A 30 26.130 -17.076 -6.310 1.00 51.43 H new ATOM 0 HZ3 LYS A 30 25.884 -15.692 -7.263 1.00 51.43 H new ATOM 441 N LYS A 31 22.272 -18.785 -13.096 1.00 72.41 N ATOM 442 CA LYS A 31 22.155 -18.154 -14.405 1.00 61.02 C ATOM 443 C LYS A 31 20.692 -18.016 -14.814 1.00 61.12 C ATOM 444 O LYS A 31 20.300 -17.023 -15.424 1.00 54.43 O ATOM 445 CB LYS A 31 22.915 -18.967 -15.456 1.00 10.21 C ATOM 446 CG LYS A 31 24.334 -18.480 -15.692 1.00 41.43 C ATOM 447 CD LYS A 31 25.315 -19.133 -14.733 1.00 51.21 C ATOM 448 CE LYS A 31 25.360 -18.403 -13.399 1.00 74.32 C ATOM 449 NZ LYS A 31 26.584 -17.566 -13.266 1.00 13.23 N ATOM 0 H LYS A 31 22.697 -19.712 -13.112 1.00 72.41 H new ATOM 0 HA LYS A 31 22.591 -17.157 -14.340 1.00 61.02 H new ATOM 0 HB2 LYS A 31 22.945 -20.011 -15.144 1.00 10.21 H new ATOM 0 HB3 LYS A 31 22.366 -18.932 -16.397 1.00 10.21 H new ATOM 0 HG2 LYS A 31 24.628 -18.698 -16.719 1.00 41.43 H new ATOM 0 HG3 LYS A 31 24.373 -17.397 -15.572 1.00 41.43 H new ATOM 0 HD2 LYS A 31 25.030 -20.172 -14.571 1.00 51.21 H new ATOM 0 HD3 LYS A 31 26.310 -19.141 -15.178 1.00 51.21 H new ATOM 0 HE2 LYS A 31 24.476 -17.772 -13.300 1.00 74.32 H new ATOM 0 HE3 LYS A 31 25.326 -19.129 -12.586 1.00 74.32 H new ATOM 0 HZ1 LYS A 31 26.577 -17.085 -12.344 1.00 13.23 H new ATOM 0 HZ2 LYS A 31 27.427 -18.171 -13.335 1.00 13.23 H new ATOM 0 HZ3 LYS A 31 26.604 -16.857 -14.026 1.00 13.23 H new ATOM 463 N ASN A 32 19.890 -19.019 -14.473 1.00 33.24 N ATOM 464 CA ASN A 32 18.469 -19.009 -14.804 1.00 5.32 C ATOM 465 C ASN A 32 17.702 -18.069 -13.879 1.00 1.11 C ATOM 466 O ASN A 32 16.815 -17.337 -14.319 1.00 11.25 O ATOM 467 CB ASN A 32 17.891 -20.422 -14.707 1.00 25.01 C ATOM 468 CG ASN A 32 16.507 -20.524 -15.318 1.00 45.24 C ATOM 469 OD1 ASN A 32 15.499 -20.433 -14.618 1.00 40.11 O ATOM 470 ND2 ASN A 32 16.454 -20.714 -16.632 1.00 14.24 N ATOM 0 H ASN A 32 20.199 -19.849 -13.968 1.00 33.24 H new ATOM 0 HA ASN A 32 18.362 -18.650 -15.828 1.00 5.32 H new ATOM 0 HB2 ASN A 32 18.560 -21.120 -15.210 1.00 25.01 H new ATOM 0 HB3 ASN A 32 17.846 -20.722 -13.660 1.00 25.01 H new ATOM 0 HD21 ASN A 32 15.551 -20.790 -17.100 1.00 14.24 H new ATOM 0 HD22 ASN A 32 17.316 -20.783 -17.172 1.00 14.24 H new ATOM 477 N ILE A 33 18.050 -18.095 -12.597 1.00 4.31 N ATOM 478 CA ILE A 33 17.396 -17.244 -11.611 1.00 32.13 C ATOM 479 C ILE A 33 17.772 -15.780 -11.811 1.00 52.05 C ATOM 480 O ILE A 33 16.903 -14.914 -11.905 1.00 40.41 O ATOM 481 CB ILE A 33 17.761 -17.664 -10.174 1.00 54.25 C ATOM 482 CG1 ILE A 33 17.496 -19.157 -9.973 1.00 73.34 C ATOM 483 CG2 ILE A 33 16.974 -16.840 -9.166 1.00 33.30 C ATOM 484 CD1 ILE A 33 16.050 -19.548 -10.186 1.00 20.51 C ATOM 0 H ILE A 33 18.781 -18.696 -12.217 1.00 4.31 H new ATOM 0 HA ILE A 33 16.322 -17.364 -11.755 1.00 32.13 H new ATOM 0 HB ILE A 33 18.823 -17.479 -10.015 1.00 54.25 H new ATOM 0 HG12 ILE A 33 18.123 -19.725 -10.661 1.00 73.34 H new ATOM 0 HG13 ILE A 33 17.795 -19.438 -8.963 1.00 73.34 H new ATOM 0 HG21 ILE A 33 17.242 -17.148 -8.155 1.00 33.30 H new ATOM 0 HG22 ILE A 33 17.208 -15.784 -9.298 1.00 33.30 H new ATOM 0 HG23 ILE A 33 15.907 -16.997 -9.322 1.00 33.30 H new ATOM 0 HD11 ILE A 33 15.936 -20.620 -10.027 1.00 20.51 H new ATOM 0 HD12 ILE A 33 15.419 -19.007 -9.480 1.00 20.51 H new ATOM 0 HD13 ILE A 33 15.752 -19.298 -11.204 1.00 20.51 H new ATOM 496 N GLU A 34 19.072 -15.512 -11.878 1.00 62.45 N ATOM 497 CA GLU A 34 19.563 -14.153 -12.069 1.00 53.55 C ATOM 498 C GLU A 34 18.901 -13.501 -13.280 1.00 42.43 C ATOM 499 O GLU A 34 18.693 -12.288 -13.309 1.00 12.40 O ATOM 500 CB GLU A 34 21.083 -14.155 -12.245 1.00 12.23 C ATOM 501 CG GLU A 34 21.538 -14.659 -13.604 1.00 1.40 C ATOM 502 CD GLU A 34 23.046 -14.783 -13.705 1.00 31.11 C ATOM 503 OE1 GLU A 34 23.726 -14.606 -12.672 1.00 54.42 O ATOM 504 OE2 GLU A 34 23.546 -15.058 -14.816 1.00 1.45 O ATOM 0 H GLU A 34 19.804 -16.218 -11.803 1.00 62.45 H new ATOM 0 HA GLU A 34 19.309 -13.574 -11.181 1.00 53.55 H new ATOM 0 HB2 GLU A 34 21.459 -13.142 -12.098 1.00 12.23 H new ATOM 0 HB3 GLU A 34 21.529 -14.776 -11.468 1.00 12.23 H new ATOM 0 HG2 GLU A 34 21.083 -15.631 -13.798 1.00 1.40 H new ATOM 0 HG3 GLU A 34 21.180 -13.980 -14.378 1.00 1.40 H new ATOM 511 N ASP A 35 18.574 -14.315 -14.278 1.00 3.51 N ATOM 512 CA ASP A 35 17.936 -13.818 -15.492 1.00 20.44 C ATOM 513 C ASP A 35 16.526 -13.317 -15.198 1.00 13.32 C ATOM 514 O ASP A 35 16.061 -12.350 -15.803 1.00 14.44 O ATOM 515 CB ASP A 35 17.889 -14.917 -16.554 1.00 73.43 C ATOM 516 CG ASP A 35 17.920 -14.361 -17.964 1.00 60.23 C ATOM 517 OD1 ASP A 35 17.656 -13.152 -18.131 1.00 43.23 O ATOM 518 OD2 ASP A 35 18.209 -15.135 -18.901 1.00 1.04 O ATOM 0 H ASP A 35 18.740 -15.321 -14.270 1.00 3.51 H new ATOM 0 HA ASP A 35 18.527 -12.984 -15.869 1.00 20.44 H new ATOM 0 HB2 ASP A 35 18.734 -15.590 -16.413 1.00 73.43 H new ATOM 0 HB3 ASP A 35 16.984 -15.509 -16.420 1.00 73.43 H new ATOM 523 N LEU A 36 15.849 -13.980 -14.267 1.00 22.51 N ATOM 524 CA LEU A 36 14.491 -13.603 -13.893 1.00 54.21 C ATOM 525 C LEU A 36 14.490 -12.320 -13.067 1.00 74.43 C ATOM 526 O LEU A 36 13.648 -11.443 -13.265 1.00 2.33 O ATOM 527 CB LEU A 36 13.825 -14.732 -13.104 1.00 4.33 C ATOM 528 CG LEU A 36 12.973 -15.707 -13.916 1.00 51.13 C ATOM 529 CD1 LEU A 36 12.475 -16.843 -13.036 1.00 4.33 C ATOM 530 CD2 LEU A 36 11.803 -14.981 -14.564 1.00 42.45 C ATOM 0 H LEU A 36 16.219 -14.782 -13.757 1.00 22.51 H new ATOM 0 HA LEU A 36 13.925 -13.425 -14.807 1.00 54.21 H new ATOM 0 HB2 LEU A 36 14.603 -15.299 -12.593 1.00 4.33 H new ATOM 0 HB3 LEU A 36 13.196 -14.287 -12.333 1.00 4.33 H new ATOM 0 HG LEU A 36 13.594 -16.131 -14.705 1.00 51.13 H new ATOM 0 HD11 LEU A 36 11.870 -17.527 -13.632 1.00 4.33 H new ATOM 0 HD12 LEU A 36 13.327 -17.381 -12.619 1.00 4.33 H new ATOM 0 HD13 LEU A 36 11.870 -16.437 -12.225 1.00 4.33 H new ATOM 0 HD21 LEU A 36 11.207 -15.691 -15.138 1.00 42.45 H new ATOM 0 HD22 LEU A 36 11.182 -14.528 -13.791 1.00 42.45 H new ATOM 0 HD23 LEU A 36 12.180 -14.203 -15.228 1.00 42.45 H new ATOM 542 N LEU A 37 15.439 -12.217 -12.143 1.00 74.24 N ATOM 543 CA LEU A 37 15.549 -11.040 -11.288 1.00 62.34 C ATOM 544 C LEU A 37 16.006 -9.826 -12.090 1.00 53.32 C ATOM 545 O LEU A 37 15.601 -8.697 -11.813 1.00 13.35 O ATOM 546 CB LEU A 37 16.528 -11.307 -10.144 1.00 23.41 C ATOM 547 CG LEU A 37 16.823 -10.123 -9.223 1.00 23.12 C ATOM 548 CD1 LEU A 37 15.531 -9.537 -8.676 1.00 72.11 C ATOM 549 CD2 LEU A 37 17.741 -10.547 -8.086 1.00 25.41 C ATOM 0 H LEU A 37 16.143 -12.934 -11.967 1.00 74.24 H new ATOM 0 HA LEU A 37 14.563 -10.829 -10.873 1.00 62.34 H new ATOM 0 HB2 LEU A 37 16.134 -12.123 -9.538 1.00 23.41 H new ATOM 0 HB3 LEU A 37 17.469 -11.653 -10.571 1.00 23.41 H new ATOM 0 HG LEU A 37 17.330 -9.353 -9.805 1.00 23.12 H new ATOM 0 HD11 LEU A 37 15.761 -8.695 -8.023 1.00 72.11 H new ATOM 0 HD12 LEU A 37 14.908 -9.195 -9.502 1.00 72.11 H new ATOM 0 HD13 LEU A 37 14.996 -10.300 -8.110 1.00 72.11 H new ATOM 0 HD21 LEU A 37 17.940 -9.691 -7.441 1.00 25.41 H new ATOM 0 HD22 LEU A 37 17.261 -11.335 -7.506 1.00 25.41 H new ATOM 0 HD23 LEU A 37 18.680 -10.919 -8.496 1.00 25.41 H new ATOM 561 N LYS A 38 16.850 -10.065 -13.088 1.00 31.20 N ATOM 562 CA LYS A 38 17.360 -8.992 -13.934 1.00 34.43 C ATOM 563 C LYS A 38 16.218 -8.267 -14.639 1.00 43.40 C ATOM 564 O LYS A 38 16.150 -7.038 -14.625 1.00 30.11 O ATOM 565 CB LYS A 38 18.339 -9.552 -14.968 1.00 73.12 C ATOM 566 CG LYS A 38 19.277 -8.506 -15.546 1.00 31.52 C ATOM 567 CD LYS A 38 20.413 -9.147 -16.326 1.00 11.31 C ATOM 568 CE LYS A 38 21.513 -8.142 -16.634 1.00 20.55 C ATOM 569 NZ LYS A 38 22.507 -8.053 -15.528 1.00 41.14 N ATOM 0 H LYS A 38 17.196 -10.993 -13.331 1.00 31.20 H new ATOM 0 HA LYS A 38 17.883 -8.278 -13.298 1.00 34.43 H new ATOM 0 HB2 LYS A 38 18.930 -10.342 -14.506 1.00 73.12 H new ATOM 0 HB3 LYS A 38 17.774 -10.010 -15.780 1.00 73.12 H new ATOM 0 HG2 LYS A 38 18.718 -7.836 -16.199 1.00 31.52 H new ATOM 0 HG3 LYS A 38 19.686 -7.897 -14.740 1.00 31.52 H new ATOM 0 HD2 LYS A 38 20.827 -9.977 -15.753 1.00 11.31 H new ATOM 0 HD3 LYS A 38 20.028 -9.563 -17.257 1.00 11.31 H new ATOM 0 HE2 LYS A 38 22.020 -8.429 -17.556 1.00 20.55 H new ATOM 0 HE3 LYS A 38 21.071 -7.160 -16.805 1.00 20.55 H new ATOM 0 HZ1 LYS A 38 23.240 -7.358 -15.775 1.00 41.14 H new ATOM 0 HZ2 LYS A 38 22.028 -7.755 -14.654 1.00 41.14 H new ATOM 0 HZ3 LYS A 38 22.947 -8.984 -15.381 1.00 41.14 H new ATOM 583 N GLU A 39 15.324 -9.035 -15.253 1.00 63.14 N ATOM 584 CA GLU A 39 14.186 -8.464 -15.963 1.00 51.51 C ATOM 585 C GLU A 39 13.154 -7.914 -14.983 1.00 13.03 C ATOM 586 O GLU A 39 12.468 -6.932 -15.271 1.00 74.51 O ATOM 587 CB GLU A 39 13.538 -9.516 -16.866 1.00 5.04 C ATOM 588 CG GLU A 39 13.058 -10.747 -16.117 1.00 34.45 C ATOM 589 CD GLU A 39 12.560 -11.838 -17.045 1.00 53.23 C ATOM 590 OE1 GLU A 39 12.753 -11.705 -18.272 1.00 54.01 O ATOM 591 OE2 GLU A 39 11.977 -12.823 -16.546 1.00 43.00 O ATOM 0 H GLU A 39 15.366 -10.054 -15.273 1.00 63.14 H new ATOM 0 HA GLU A 39 14.551 -7.642 -16.579 1.00 51.51 H new ATOM 0 HB2 GLU A 39 12.693 -9.065 -17.387 1.00 5.04 H new ATOM 0 HB3 GLU A 39 14.256 -9.821 -17.628 1.00 5.04 H new ATOM 0 HG2 GLU A 39 13.873 -11.138 -15.508 1.00 34.45 H new ATOM 0 HG3 GLU A 39 12.257 -10.463 -15.434 1.00 34.45 H new ATOM 598 N LEU A 40 13.049 -8.554 -13.823 1.00 54.23 N ATOM 599 CA LEU A 40 12.100 -8.130 -12.799 1.00 70.50 C ATOM 600 C LEU A 40 12.517 -6.797 -12.188 1.00 44.41 C ATOM 601 O LEU A 40 11.675 -5.958 -11.866 1.00 64.00 O ATOM 602 CB LEU A 40 11.992 -9.194 -11.705 1.00 22.11 C ATOM 603 CG LEU A 40 10.720 -10.043 -11.717 1.00 2.43 C ATOM 604 CD1 LEU A 40 9.504 -9.185 -11.406 1.00 15.13 C ATOM 605 CD2 LEU A 40 10.556 -10.738 -13.060 1.00 75.21 C ATOM 0 H LEU A 40 13.609 -9.368 -13.568 1.00 54.23 H new ATOM 0 HA LEU A 40 11.126 -8.003 -13.272 1.00 70.50 H new ATOM 0 HB2 LEU A 40 12.850 -9.861 -11.788 1.00 22.11 H new ATOM 0 HB3 LEU A 40 12.065 -8.699 -10.737 1.00 22.11 H new ATOM 0 HG LEU A 40 10.807 -10.807 -10.944 1.00 2.43 H new ATOM 0 HD11 LEU A 40 8.608 -9.806 -11.419 1.00 15.13 H new ATOM 0 HD12 LEU A 40 9.619 -8.734 -10.420 1.00 15.13 H new ATOM 0 HD13 LEU A 40 9.412 -8.399 -12.156 1.00 15.13 H new ATOM 0 HD21 LEU A 40 9.646 -11.338 -13.051 1.00 75.21 H new ATOM 0 HD22 LEU A 40 10.490 -9.991 -13.851 1.00 75.21 H new ATOM 0 HD23 LEU A 40 11.414 -11.384 -13.242 1.00 75.21 H new ATOM 617 N LYS A 41 13.823 -6.606 -12.033 1.00 1.40 N ATOM 618 CA LYS A 41 14.354 -5.373 -11.464 1.00 43.43 C ATOM 619 C LYS A 41 13.860 -4.157 -12.243 1.00 24.42 C ATOM 620 O LYS A 41 13.483 -3.142 -11.656 1.00 65.15 O ATOM 621 CB LYS A 41 15.884 -5.404 -11.464 1.00 63.34 C ATOM 622 CG LYS A 41 16.477 -6.154 -10.284 1.00 63.21 C ATOM 623 CD LYS A 41 17.532 -5.325 -9.570 1.00 35.54 C ATOM 624 CE LYS A 41 18.758 -6.158 -9.228 1.00 34.03 C ATOM 625 NZ LYS A 41 19.888 -5.312 -8.755 1.00 63.11 N ATOM 0 H LYS A 41 14.533 -7.290 -12.294 1.00 1.40 H new ATOM 0 HA LYS A 41 13.998 -5.294 -10.437 1.00 43.43 H new ATOM 0 HB2 LYS A 41 16.230 -5.866 -12.389 1.00 63.34 H new ATOM 0 HB3 LYS A 41 16.260 -4.381 -11.459 1.00 63.34 H new ATOM 0 HG2 LYS A 41 15.684 -6.417 -9.584 1.00 63.21 H new ATOM 0 HG3 LYS A 41 16.920 -7.088 -10.630 1.00 63.21 H new ATOM 0 HD2 LYS A 41 17.825 -4.486 -10.201 1.00 35.54 H new ATOM 0 HD3 LYS A 41 17.110 -4.905 -8.657 1.00 35.54 H new ATOM 0 HE2 LYS A 41 18.500 -6.884 -8.457 1.00 34.03 H new ATOM 0 HE3 LYS A 41 19.070 -6.723 -10.106 1.00 34.03 H new ATOM 0 HZ1 LYS A 41 20.705 -5.916 -8.532 1.00 63.11 H new ATOM 0 HZ2 LYS A 41 20.151 -4.636 -9.500 1.00 63.11 H new ATOM 0 HZ3 LYS A 41 19.599 -4.792 -7.902 1.00 63.11 H new ATOM 639 N THR A 42 13.863 -4.268 -13.568 1.00 5.43 N ATOM 640 CA THR A 42 13.416 -3.178 -14.426 1.00 73.43 C ATOM 641 C THR A 42 11.946 -2.856 -14.183 1.00 52.35 C ATOM 642 O THR A 42 11.566 -1.690 -14.076 1.00 62.02 O ATOM 643 CB THR A 42 13.616 -3.518 -15.915 1.00 72.23 C ATOM 644 OG1 THR A 42 12.654 -4.496 -16.328 1.00 43.32 O ATOM 645 CG2 THR A 42 15.021 -4.044 -16.166 1.00 70.13 C ATOM 0 H THR A 42 14.170 -5.101 -14.070 1.00 5.43 H new ATOM 0 HA THR A 42 14.022 -2.308 -14.175 1.00 73.43 H new ATOM 0 HB THR A 42 13.478 -2.606 -16.495 1.00 72.23 H new ATOM 0 HG1 THR A 42 12.824 -5.340 -15.860 1.00 43.32 H new ATOM 0 HG21 THR A 42 15.139 -4.277 -17.224 1.00 70.13 H new ATOM 0 HG22 THR A 42 15.750 -3.286 -15.878 1.00 70.13 H new ATOM 0 HG23 THR A 42 15.183 -4.946 -15.576 1.00 70.13 H new ATOM 653 N MET A 43 11.123 -3.896 -14.097 1.00 52.32 N ATOM 654 CA MET A 43 9.694 -3.722 -13.865 1.00 13.42 C ATOM 655 C MET A 43 9.440 -3.032 -12.528 1.00 43.10 C ATOM 656 O MET A 43 8.747 -2.018 -12.464 1.00 52.00 O ATOM 657 CB MET A 43 8.981 -5.075 -13.897 1.00 25.24 C ATOM 658 CG MET A 43 8.393 -5.420 -15.255 1.00 32.41 C ATOM 659 SD MET A 43 9.482 -6.469 -16.238 1.00 12.03 S ATOM 660 CE MET A 43 8.286 -7.389 -17.203 1.00 13.31 C ATOM 0 H MET A 43 11.421 -4.868 -14.184 1.00 52.32 H new ATOM 0 HA MET A 43 9.297 -3.092 -14.661 1.00 13.42 H new ATOM 0 HB2 MET A 43 9.685 -5.855 -13.607 1.00 25.24 H new ATOM 0 HB3 MET A 43 8.183 -5.074 -13.154 1.00 25.24 H new ATOM 0 HG2 MET A 43 7.437 -5.925 -15.115 1.00 32.41 H new ATOM 0 HG3 MET A 43 8.190 -4.500 -15.803 1.00 32.41 H new ATOM 0 HE1 MET A 43 8.626 -7.455 -18.237 1.00 13.31 H new ATOM 0 HE2 MET A 43 8.181 -8.393 -16.791 1.00 13.31 H new ATOM 0 HE3 MET A 43 7.323 -6.880 -17.169 1.00 13.31 H new ATOM 670 N ASN A 44 10.007 -3.589 -11.463 1.00 20.32 N ATOM 671 CA ASN A 44 9.841 -3.028 -10.127 1.00 42.31 C ATOM 672 C ASN A 44 10.435 -1.624 -10.049 1.00 70.55 C ATOM 673 O ASN A 44 9.902 -0.751 -9.367 1.00 14.34 O ATOM 674 CB ASN A 44 10.503 -3.932 -9.085 1.00 40.03 C ATOM 675 CG ASN A 44 10.405 -3.365 -7.682 1.00 71.30 C ATOM 676 OD1 ASN A 44 11.406 -3.254 -6.974 1.00 70.02 O ATOM 677 ND2 ASN A 44 9.194 -3.004 -7.273 1.00 61.23 N ATOM 0 H ASN A 44 10.585 -4.428 -11.499 1.00 20.32 H new ATOM 0 HA ASN A 44 8.773 -2.964 -9.917 1.00 42.31 H new ATOM 0 HB2 ASN A 44 10.033 -4.915 -9.110 1.00 40.03 H new ATOM 0 HB3 ASN A 44 11.552 -4.073 -9.344 1.00 40.03 H new ATOM 0 HD21 ASN A 44 9.066 -2.617 -6.338 1.00 61.23 H new ATOM 0 HD22 ASN A 44 8.392 -3.114 -7.894 1.00 61.23 H new ATOM 684 N ALA A 45 11.542 -1.416 -10.755 1.00 20.52 N ATOM 685 CA ALA A 45 12.207 -0.119 -10.768 1.00 71.41 C ATOM 686 C ALA A 45 11.390 0.908 -11.544 1.00 41.21 C ATOM 687 O ALA A 45 11.420 2.099 -11.237 1.00 4.43 O ATOM 688 CB ALA A 45 13.601 -0.247 -11.364 1.00 21.12 C ATOM 0 H ALA A 45 11.997 -2.129 -11.325 1.00 20.52 H new ATOM 0 HA ALA A 45 12.295 0.228 -9.738 1.00 71.41 H new ATOM 0 HB1 ALA A 45 14.086 0.729 -11.368 1.00 21.12 H new ATOM 0 HB2 ALA A 45 14.190 -0.943 -10.766 1.00 21.12 H new ATOM 0 HB3 ALA A 45 13.527 -0.619 -12.386 1.00 21.12 H new ATOM 694 N ALA A 46 10.661 0.439 -12.552 1.00 3.33 N ATOM 695 CA ALA A 46 9.835 1.318 -13.371 1.00 23.33 C ATOM 696 C ALA A 46 8.861 2.115 -12.510 1.00 71.22 C ATOM 697 O ALA A 46 8.763 3.336 -12.635 1.00 13.35 O ATOM 698 CB ALA A 46 9.080 0.509 -14.416 1.00 4.44 C ATOM 0 H ALA A 46 10.626 -0.544 -12.821 1.00 3.33 H new ATOM 0 HA ALA A 46 10.491 2.025 -13.879 1.00 23.33 H new ATOM 0 HB1 ALA A 46 8.467 1.177 -15.021 1.00 4.44 H new ATOM 0 HB2 ALA A 46 9.792 -0.011 -15.058 1.00 4.44 H new ATOM 0 HB3 ALA A 46 8.440 -0.220 -13.919 1.00 4.44 H new ATOM 704 N LEU A 47 8.142 1.417 -11.638 1.00 73.12 N ATOM 705 CA LEU A 47 7.173 2.060 -10.757 1.00 24.14 C ATOM 706 C LEU A 47 7.839 3.146 -9.917 1.00 33.42 C ATOM 707 O LEU A 47 7.181 4.082 -9.462 1.00 43.43 O ATOM 708 CB LEU A 47 6.518 1.022 -9.843 1.00 42.42 C ATOM 709 CG LEU A 47 7.316 0.622 -8.602 1.00 21.40 C ATOM 710 CD1 LEU A 47 6.850 1.412 -7.389 1.00 40.44 C ATOM 711 CD2 LEU A 47 7.190 -0.873 -8.347 1.00 30.33 C ATOM 0 H LEU A 47 8.212 0.406 -11.522 1.00 73.12 H new ATOM 0 HA LEU A 47 6.406 2.524 -11.377 1.00 24.14 H new ATOM 0 HB2 LEU A 47 5.552 1.410 -9.520 1.00 42.42 H new ATOM 0 HB3 LEU A 47 6.321 0.124 -10.429 1.00 42.42 H new ATOM 0 HG LEU A 47 8.366 0.854 -8.779 1.00 21.40 H new ATOM 0 HD11 LEU A 47 7.430 1.113 -6.516 1.00 40.44 H new ATOM 0 HD12 LEU A 47 6.992 2.477 -7.572 1.00 40.44 H new ATOM 0 HD13 LEU A 47 5.794 1.213 -7.209 1.00 40.44 H new ATOM 0 HD21 LEU A 47 7.764 -1.140 -7.460 1.00 30.33 H new ATOM 0 HD22 LEU A 47 6.142 -1.128 -8.191 1.00 30.33 H new ATOM 0 HD23 LEU A 47 7.574 -1.422 -9.207 1.00 30.33 H new ATOM 723 N ILE A 48 9.146 3.014 -9.717 1.00 34.14 N ATOM 724 CA ILE A 48 9.900 3.986 -8.935 1.00 31.54 C ATOM 725 C ILE A 48 10.126 5.270 -9.724 1.00 52.42 C ATOM 726 O ILE A 48 9.967 6.372 -9.198 1.00 11.01 O ATOM 727 CB ILE A 48 11.263 3.419 -8.496 1.00 43.05 C ATOM 728 CG1 ILE A 48 11.092 2.019 -7.904 1.00 32.04 C ATOM 729 CG2 ILE A 48 11.925 4.349 -7.490 1.00 74.12 C ATOM 730 CD1 ILE A 48 10.173 1.980 -6.702 1.00 64.13 C ATOM 0 H ILE A 48 9.704 2.244 -10.085 1.00 34.14 H new ATOM 0 HA ILE A 48 9.305 4.208 -8.049 1.00 31.54 H new ATOM 0 HB ILE A 48 11.908 3.345 -9.372 1.00 43.05 H new ATOM 0 HG12 ILE A 48 10.700 1.353 -8.673 1.00 32.04 H new ATOM 0 HG13 ILE A 48 12.070 1.633 -7.616 1.00 32.04 H new ATOM 0 HG21 ILE A 48 12.887 3.934 -7.190 1.00 74.12 H new ATOM 0 HG22 ILE A 48 12.078 5.328 -7.945 1.00 74.12 H new ATOM 0 HG23 ILE A 48 11.285 4.452 -6.614 1.00 74.12 H new ATOM 0 HD11 ILE A 48 10.098 0.957 -6.334 1.00 64.13 H new ATOM 0 HD12 ILE A 48 10.575 2.620 -5.916 1.00 64.13 H new ATOM 0 HD13 ILE A 48 9.183 2.336 -6.989 1.00 64.13 H new ATOM 742 N LYS A 49 10.496 5.122 -10.992 1.00 30.04 N ATOM 743 CA LYS A 49 10.741 6.270 -11.857 1.00 21.40 C ATOM 744 C LYS A 49 9.428 6.901 -12.308 1.00 70.04 C ATOM 745 O LYS A 49 9.235 8.111 -12.183 1.00 32.44 O ATOM 746 CB LYS A 49 11.563 5.848 -13.077 1.00 74.13 C ATOM 747 CG LYS A 49 13.062 5.864 -12.836 1.00 42.33 C ATOM 748 CD LYS A 49 13.489 4.746 -11.900 1.00 13.20 C ATOM 749 CE LYS A 49 14.988 4.500 -11.972 1.00 71.15 C ATOM 750 NZ LYS A 49 15.402 3.987 -13.308 1.00 33.33 N ATOM 0 H LYS A 49 10.633 4.218 -11.443 1.00 30.04 H new ATOM 0 HA LYS A 49 11.302 7.011 -11.287 1.00 21.40 H new ATOM 0 HB2 LYS A 49 11.263 4.844 -13.377 1.00 74.13 H new ATOM 0 HB3 LYS A 49 11.330 6.513 -13.909 1.00 74.13 H new ATOM 0 HG2 LYS A 49 13.585 5.763 -13.787 1.00 42.33 H new ATOM 0 HG3 LYS A 49 13.353 6.825 -12.412 1.00 42.33 H new ATOM 0 HD2 LYS A 49 13.210 5.000 -10.877 1.00 13.20 H new ATOM 0 HD3 LYS A 49 12.956 3.831 -12.158 1.00 13.20 H new ATOM 0 HE2 LYS A 49 15.519 5.428 -11.759 1.00 71.15 H new ATOM 0 HE3 LYS A 49 15.276 3.784 -11.203 1.00 71.15 H new ATOM 0 HZ1 LYS A 49 16.311 3.490 -13.222 1.00 33.33 H new ATOM 0 HZ2 LYS A 49 14.680 3.329 -13.666 1.00 33.33 H new ATOM 0 HZ3 LYS A 49 15.504 4.783 -13.969 1.00 33.33 H new ATOM 764 N ILE A 50 8.529 6.075 -12.833 1.00 20.25 N ATOM 765 CA ILE A 50 7.234 6.553 -13.300 1.00 33.14 C ATOM 766 C ILE A 50 6.348 6.972 -12.131 1.00 4.31 C ATOM 767 O ILE A 50 5.439 7.786 -12.288 1.00 4.21 O ATOM 768 CB ILE A 50 6.501 5.478 -14.124 1.00 51.23 C ATOM 769 CG1 ILE A 50 6.097 4.305 -13.229 1.00 55.11 C ATOM 770 CG2 ILE A 50 7.380 4.999 -15.270 1.00 12.11 C ATOM 771 CD1 ILE A 50 4.634 4.315 -12.844 1.00 73.12 C ATOM 0 H ILE A 50 8.674 5.072 -12.945 1.00 20.25 H new ATOM 0 HA ILE A 50 7.427 7.418 -13.935 1.00 33.14 H new ATOM 0 HB ILE A 50 5.596 5.917 -14.544 1.00 51.23 H new ATOM 0 HG12 ILE A 50 6.323 3.371 -13.744 1.00 55.11 H new ATOM 0 HG13 ILE A 50 6.703 4.324 -12.323 1.00 55.11 H new ATOM 0 HG21 ILE A 50 6.848 4.239 -15.843 1.00 12.11 H new ATOM 0 HG22 ILE A 50 7.622 5.840 -15.919 1.00 12.11 H new ATOM 0 HG23 ILE A 50 8.300 4.573 -14.869 1.00 12.11 H new ATOM 0 HD11 ILE A 50 4.419 3.455 -12.210 1.00 73.12 H new ATOM 0 HD12 ILE A 50 4.407 5.232 -12.301 1.00 73.12 H new ATOM 0 HD13 ILE A 50 4.021 4.265 -13.744 1.00 73.12 H new ATOM 783 N GLY A 51 6.622 6.411 -10.957 1.00 2.21 N ATOM 784 CA GLY A 51 5.843 6.740 -9.778 1.00 0.53 C ATOM 785 C GLY A 51 6.081 8.160 -9.303 1.00 43.21 C ATOM 786 O GLY A 51 5.322 8.684 -8.489 1.00 50.40 O ATOM 0 H GLY A 51 7.370 5.735 -10.802 1.00 2.21 H new ATOM 0 HA2 GLY A 51 4.784 6.606 -9.997 1.00 0.53 H new ATOM 0 HA3 GLY A 51 6.093 6.045 -8.976 1.00 0.53 H new ATOM 790 N GLU A 52 7.140 8.783 -9.812 1.00 72.01 N ATOM 791 CA GLU A 52 7.477 10.150 -9.432 1.00 74.03 C ATOM 792 C GLU A 52 6.340 11.107 -9.781 1.00 4.11 C ATOM 793 O GLU A 52 6.097 12.084 -9.072 1.00 70.12 O ATOM 794 CB GLU A 52 8.764 10.594 -10.130 1.00 2.04 C ATOM 795 CG GLU A 52 9.337 11.891 -9.582 1.00 74.24 C ATOM 796 CD GLU A 52 10.676 12.244 -10.200 1.00 31.33 C ATOM 797 OE1 GLU A 52 11.458 11.314 -10.489 1.00 43.21 O ATOM 798 OE2 GLU A 52 10.942 13.448 -10.393 1.00 52.32 O ATOM 0 H GLU A 52 7.778 8.363 -10.488 1.00 72.01 H new ATOM 0 HA GLU A 52 7.631 10.173 -8.353 1.00 74.03 H new ATOM 0 HB2 GLU A 52 9.511 9.806 -10.032 1.00 2.04 H new ATOM 0 HB3 GLU A 52 8.567 10.715 -11.195 1.00 2.04 H new ATOM 0 HG2 GLU A 52 8.632 12.702 -9.765 1.00 74.24 H new ATOM 0 HG3 GLU A 52 9.451 11.806 -8.501 1.00 74.24 H new ATOM 805 N VAL A 53 5.648 10.819 -10.878 1.00 52.55 N ATOM 806 CA VAL A 53 4.537 11.653 -11.322 1.00 10.21 C ATOM 807 C VAL A 53 3.201 11.076 -10.868 1.00 61.31 C ATOM 808 O VAL A 53 3.052 9.869 -10.675 1.00 33.02 O ATOM 809 CB VAL A 53 4.525 11.803 -12.855 1.00 12.12 C ATOM 810 CG1 VAL A 53 5.853 12.355 -13.348 1.00 44.41 C ATOM 811 CG2 VAL A 53 4.213 10.470 -13.518 1.00 21.24 C ATOM 0 H VAL A 53 5.837 10.015 -11.476 1.00 52.55 H new ATOM 0 HA VAL A 53 4.678 12.635 -10.870 1.00 10.21 H new ATOM 0 HB VAL A 53 3.742 12.510 -13.127 1.00 12.12 H new ATOM 0 HG11 VAL A 53 5.826 12.454 -14.433 1.00 44.41 H new ATOM 0 HG12 VAL A 53 6.030 13.332 -12.899 1.00 44.41 H new ATOM 0 HG13 VAL A 53 6.657 11.675 -13.066 1.00 44.41 H new ATOM 0 HG21 VAL A 53 4.209 10.594 -14.601 1.00 21.24 H new ATOM 0 HG22 VAL A 53 4.972 9.739 -13.240 1.00 21.24 H new ATOM 0 HG23 VAL A 53 3.234 10.120 -13.189 1.00 21.24 H new ATOM 821 N PRO A 54 2.204 11.956 -10.694 1.00 5.34 N ATOM 822 CA PRO A 54 0.862 11.557 -10.261 1.00 71.03 C ATOM 823 C PRO A 54 0.115 10.776 -11.337 1.00 72.00 C ATOM 824 O PRO A 54 0.526 10.720 -12.496 1.00 40.42 O ATOM 825 CB PRO A 54 0.165 12.892 -9.989 1.00 1.40 C ATOM 826 CG PRO A 54 0.883 13.876 -10.847 1.00 1.22 C ATOM 827 CD PRO A 54 2.311 13.410 -10.906 1.00 24.45 C ATOM 0 HA PRO A 54 0.893 10.893 -9.397 1.00 71.03 H new ATOM 0 HB2 PRO A 54 -0.894 12.844 -10.242 1.00 1.40 H new ATOM 0 HB3 PRO A 54 0.229 13.165 -8.936 1.00 1.40 H new ATOM 0 HG2 PRO A 54 0.445 13.917 -11.844 1.00 1.22 H new ATOM 0 HG3 PRO A 54 0.817 14.880 -10.428 1.00 1.22 H new ATOM 0 HD2 PRO A 54 2.771 13.643 -11.866 1.00 24.45 H new ATOM 0 HD3 PRO A 54 2.921 13.885 -10.137 1.00 24.45 H new ATOM 835 N PRO A 55 -1.010 10.158 -10.947 1.00 61.22 N ATOM 836 CA PRO A 55 -1.838 9.369 -11.864 1.00 55.51 C ATOM 837 C PRO A 55 -2.556 10.240 -12.890 1.00 71.54 C ATOM 838 O PRO A 55 -3.165 9.731 -13.832 1.00 13.23 O ATOM 839 CB PRO A 55 -2.850 8.693 -10.936 1.00 12.24 C ATOM 840 CG PRO A 55 -2.931 9.588 -9.748 1.00 14.44 C ATOM 841 CD PRO A 55 -1.560 10.181 -9.581 1.00 45.32 C ATOM 0 HA PRO A 55 -1.243 8.669 -12.451 1.00 55.51 H new ATOM 0 HB2 PRO A 55 -3.821 8.588 -11.419 1.00 12.24 H new ATOM 0 HB3 PRO A 55 -2.523 7.692 -10.656 1.00 12.24 H new ATOM 0 HG2 PRO A 55 -3.678 10.368 -9.897 1.00 14.44 H new ATOM 0 HG3 PRO A 55 -3.226 9.030 -8.859 1.00 14.44 H new ATOM 0 HD2 PRO A 55 -1.606 11.195 -9.183 1.00 45.32 H new ATOM 0 HD3 PRO A 55 -0.950 9.596 -8.892 1.00 45.32 H new ATOM 849 N ASP A 56 -2.480 11.552 -12.703 1.00 4.41 N ATOM 850 CA ASP A 56 -3.121 12.494 -13.614 1.00 22.52 C ATOM 851 C ASP A 56 -2.338 12.606 -14.919 1.00 35.34 C ATOM 852 O ASP A 56 -2.900 12.935 -15.963 1.00 31.21 O ATOM 853 CB ASP A 56 -3.242 13.870 -12.957 1.00 62.43 C ATOM 854 CG ASP A 56 -4.560 14.548 -13.273 1.00 73.04 C ATOM 855 OD1 ASP A 56 -5.590 13.844 -13.331 1.00 12.41 O ATOM 856 OD2 ASP A 56 -4.562 15.782 -13.464 1.00 51.42 O ATOM 0 H ASP A 56 -1.981 11.989 -11.928 1.00 4.41 H new ATOM 0 HA ASP A 56 -4.119 12.120 -13.841 1.00 22.52 H new ATOM 0 HB2 ASP A 56 -3.141 13.764 -11.877 1.00 62.43 H new ATOM 0 HB3 ASP A 56 -2.421 14.503 -13.293 1.00 62.43 H new ATOM 861 N GLN A 57 -1.040 12.331 -14.850 1.00 21.15 N ATOM 862 CA GLN A 57 -0.181 12.403 -16.025 1.00 42.14 C ATOM 863 C GLN A 57 -0.169 11.074 -16.774 1.00 15.23 C ATOM 864 O GLN A 57 0.082 11.030 -17.979 1.00 12.22 O ATOM 865 CB GLN A 57 1.244 12.786 -15.620 1.00 34.43 C ATOM 866 CG GLN A 57 1.313 14.014 -14.727 1.00 51.34 C ATOM 867 CD GLN A 57 0.910 15.284 -15.450 1.00 53.25 C ATOM 868 OE1 GLN A 57 0.454 15.243 -16.594 1.00 4.41 O ATOM 869 NE2 GLN A 57 1.075 16.422 -14.786 1.00 51.01 N ATOM 0 H GLN A 57 -0.560 12.056 -13.993 1.00 21.15 H new ATOM 0 HA GLN A 57 -0.581 13.170 -16.688 1.00 42.14 H new ATOM 0 HB2 GLN A 57 1.704 11.944 -15.103 1.00 34.43 H new ATOM 0 HB3 GLN A 57 1.832 12.968 -16.520 1.00 34.43 H new ATOM 0 HG2 GLN A 57 0.662 13.869 -13.865 1.00 51.34 H new ATOM 0 HG3 GLN A 57 2.328 14.124 -14.345 1.00 51.34 H new ATOM 0 HE21 GLN A 57 1.456 16.410 -13.840 1.00 51.01 H new ATOM 0 HE22 GLN A 57 0.821 17.308 -15.222 1.00 51.01 H new ATOM 878 N LEU A 58 -0.443 9.993 -16.052 1.00 63.44 N ATOM 879 CA LEU A 58 -0.464 8.661 -16.648 1.00 42.00 C ATOM 880 C LEU A 58 -1.761 8.428 -17.415 1.00 53.34 C ATOM 881 O LEU A 58 -2.743 9.147 -17.228 1.00 3.43 O ATOM 882 CB LEU A 58 -0.300 7.594 -15.565 1.00 31.44 C ATOM 883 CG LEU A 58 1.131 7.135 -15.285 1.00 65.33 C ATOM 884 CD1 LEU A 58 1.740 6.499 -16.526 1.00 32.13 C ATOM 885 CD2 LEU A 58 1.983 8.303 -14.810 1.00 50.15 C ATOM 0 H LEU A 58 -0.654 10.012 -15.054 1.00 63.44 H new ATOM 0 HA LEU A 58 0.368 8.590 -17.348 1.00 42.00 H new ATOM 0 HB2 LEU A 58 -0.725 7.978 -14.638 1.00 31.44 H new ATOM 0 HB3 LEU A 58 -0.890 6.723 -15.849 1.00 31.44 H new ATOM 0 HG LEU A 58 1.103 6.386 -14.494 1.00 65.33 H new ATOM 0 HD11 LEU A 58 2.759 6.178 -16.308 1.00 32.13 H new ATOM 0 HD12 LEU A 58 1.144 5.636 -16.823 1.00 32.13 H new ATOM 0 HD13 LEU A 58 1.755 7.226 -17.338 1.00 32.13 H new ATOM 0 HD21 LEU A 58 2.998 7.957 -14.616 1.00 50.15 H new ATOM 0 HD22 LEU A 58 2.004 9.075 -15.579 1.00 50.15 H new ATOM 0 HD23 LEU A 58 1.558 8.714 -13.894 1.00 50.15 H new ATOM 897 N ASP A 59 -1.759 7.418 -18.278 1.00 51.22 N ATOM 898 CA ASP A 59 -2.937 7.088 -19.072 1.00 11.01 C ATOM 899 C ASP A 59 -3.700 5.921 -18.453 1.00 1.14 C ATOM 900 O ASP A 59 -3.205 5.256 -17.542 1.00 52.34 O ATOM 901 CB ASP A 59 -2.532 6.745 -20.506 1.00 71.13 C ATOM 902 CG ASP A 59 -2.094 7.965 -21.292 1.00 55.40 C ATOM 903 OD1 ASP A 59 -2.974 8.738 -21.726 1.00 72.44 O ATOM 904 OD2 ASP A 59 -0.872 8.148 -21.473 1.00 72.23 O ATOM 0 H ASP A 59 -0.955 6.814 -18.446 1.00 51.22 H new ATOM 0 HA ASP A 59 -3.591 7.960 -19.086 1.00 11.01 H new ATOM 0 HB2 ASP A 59 -1.720 6.018 -20.487 1.00 71.13 H new ATOM 0 HB3 ASP A 59 -3.372 6.271 -21.014 1.00 71.13 H new ATOM 909 N SER A 60 -4.908 5.679 -18.952 1.00 22.23 N ATOM 910 CA SER A 60 -5.741 4.595 -18.444 1.00 54.32 C ATOM 911 C SER A 60 -5.003 3.262 -18.518 1.00 35.01 C ATOM 912 O SER A 60 -5.277 2.346 -17.743 1.00 11.23 O ATOM 913 CB SER A 60 -7.047 4.513 -19.238 1.00 2.23 C ATOM 914 OG SER A 60 -7.720 5.760 -19.242 1.00 13.01 O ATOM 0 H SER A 60 -5.332 6.218 -19.707 1.00 22.23 H new ATOM 0 HA SER A 60 -5.971 4.805 -17.399 1.00 54.32 H new ATOM 0 HB2 SER A 60 -6.835 4.207 -20.263 1.00 2.23 H new ATOM 0 HB3 SER A 60 -7.693 3.749 -18.805 1.00 2.23 H new ATOM 0 HG SER A 60 -8.550 5.682 -19.757 1.00 13.01 H new ATOM 920 N GLN A 61 -4.067 3.162 -19.456 1.00 11.12 N ATOM 921 CA GLN A 61 -3.290 1.941 -19.632 1.00 30.02 C ATOM 922 C GLN A 61 -2.341 1.726 -18.458 1.00 23.14 C ATOM 923 O GLN A 61 -1.961 0.595 -18.153 1.00 11.23 O ATOM 924 CB GLN A 61 -2.498 1.999 -20.939 1.00 51.22 C ATOM 925 CG GLN A 61 -2.118 0.631 -21.482 1.00 1.03 C ATOM 926 CD GLN A 61 -1.188 0.715 -22.676 1.00 71.41 C ATOM 927 OE1 GLN A 61 -1.536 0.291 -23.779 1.00 2.30 O ATOM 928 NE2 GLN A 61 0.002 1.263 -22.463 1.00 24.33 N ATOM 0 H GLN A 61 -3.828 3.911 -20.105 1.00 11.12 H new ATOM 0 HA GLN A 61 -3.984 1.102 -19.673 1.00 30.02 H new ATOM 0 HB2 GLN A 61 -3.088 2.527 -21.688 1.00 51.22 H new ATOM 0 HB3 GLN A 61 -1.591 2.582 -20.779 1.00 51.22 H new ATOM 0 HG2 GLN A 61 -1.639 0.051 -20.693 1.00 1.03 H new ATOM 0 HG3 GLN A 61 -3.022 0.094 -21.768 1.00 1.03 H new ATOM 0 HE21 GLN A 61 0.249 1.601 -21.533 1.00 24.33 H new ATOM 0 HE22 GLN A 61 0.670 1.346 -23.230 1.00 24.33 H new ATOM 937 N ASP A 62 -1.961 2.818 -17.803 1.00 21.41 N ATOM 938 CA ASP A 62 -1.056 2.749 -16.661 1.00 71.53 C ATOM 939 C ASP A 62 -1.557 1.741 -15.631 1.00 12.41 C ATOM 940 O ASP A 62 -0.814 0.864 -15.191 1.00 44.13 O ATOM 941 CB ASP A 62 -0.909 4.127 -16.016 1.00 12.23 C ATOM 942 CG ASP A 62 0.049 4.117 -14.841 1.00 13.24 C ATOM 943 OD1 ASP A 62 1.209 3.693 -15.025 1.00 14.41 O ATOM 944 OD2 ASP A 62 -0.362 4.532 -13.736 1.00 41.24 O ATOM 0 H ASP A 62 -2.266 3.761 -18.043 1.00 21.41 H new ATOM 0 HA ASP A 62 -0.081 2.420 -17.020 1.00 71.53 H new ATOM 0 HB2 ASP A 62 -0.556 4.839 -16.763 1.00 12.23 H new ATOM 0 HB3 ASP A 62 -1.886 4.474 -15.681 1.00 12.23 H new ATOM 949 N LYS A 63 -2.823 1.874 -15.248 1.00 43.14 N ATOM 950 CA LYS A 63 -3.425 0.976 -14.270 1.00 2.42 C ATOM 951 C LYS A 63 -3.286 -0.478 -14.708 1.00 31.02 C ATOM 952 O LYS A 63 -3.070 -1.367 -13.883 1.00 61.44 O ATOM 953 CB LYS A 63 -4.903 1.322 -14.072 1.00 25.22 C ATOM 954 CG LYS A 63 -5.145 2.360 -12.990 1.00 21.00 C ATOM 955 CD LYS A 63 -5.117 3.770 -13.554 1.00 41.54 C ATOM 956 CE LYS A 63 -5.276 4.813 -12.458 1.00 74.32 C ATOM 957 NZ LYS A 63 -6.707 5.145 -12.212 1.00 72.35 N ATOM 0 H LYS A 63 -3.452 2.596 -15.601 1.00 43.14 H new ATOM 0 HA LYS A 63 -2.898 1.103 -13.324 1.00 2.42 H new ATOM 0 HB2 LYS A 63 -5.311 1.689 -15.014 1.00 25.22 H new ATOM 0 HB3 LYS A 63 -5.450 0.413 -13.821 1.00 25.22 H new ATOM 0 HG2 LYS A 63 -6.109 2.176 -12.517 1.00 21.00 H new ATOM 0 HG3 LYS A 63 -4.385 2.262 -12.214 1.00 21.00 H new ATOM 0 HD2 LYS A 63 -4.176 3.934 -14.080 1.00 41.54 H new ATOM 0 HD3 LYS A 63 -5.916 3.886 -14.286 1.00 41.54 H new ATOM 0 HE2 LYS A 63 -4.825 4.444 -11.537 1.00 74.32 H new ATOM 0 HE3 LYS A 63 -4.736 5.718 -12.737 1.00 74.32 H new ATOM 0 HZ1 LYS A 63 -6.773 5.859 -11.459 1.00 72.35 H new ATOM 0 HZ2 LYS A 63 -7.131 5.521 -13.084 1.00 72.35 H new ATOM 0 HZ3 LYS A 63 -7.217 4.287 -11.921 1.00 72.35 H new ATOM 971 N LEU A 64 -3.410 -0.713 -16.009 1.00 70.53 N ATOM 972 CA LEU A 64 -3.297 -2.061 -16.557 1.00 43.33 C ATOM 973 C LEU A 64 -1.837 -2.498 -16.630 1.00 32.01 C ATOM 974 O LEU A 64 -1.534 -3.690 -16.592 1.00 61.51 O ATOM 975 CB LEU A 64 -3.929 -2.121 -17.949 1.00 30.31 C ATOM 976 CG LEU A 64 -5.427 -2.425 -17.993 1.00 21.42 C ATOM 977 CD1 LEU A 64 -5.707 -3.810 -17.429 1.00 13.31 C ATOM 978 CD2 LEU A 64 -6.209 -1.367 -17.228 1.00 24.52 C ATOM 0 H LEU A 64 -3.589 0.011 -16.704 1.00 70.53 H new ATOM 0 HA LEU A 64 -3.829 -2.743 -15.893 1.00 43.33 H new ATOM 0 HB2 LEU A 64 -3.758 -1.166 -18.445 1.00 30.31 H new ATOM 0 HB3 LEU A 64 -3.407 -2.881 -18.531 1.00 30.31 H new ATOM 0 HG LEU A 64 -5.752 -2.406 -19.033 1.00 21.42 H new ATOM 0 HD11 LEU A 64 -6.778 -4.009 -17.468 1.00 13.31 H new ATOM 0 HD12 LEU A 64 -5.177 -4.557 -18.020 1.00 13.31 H new ATOM 0 HD13 LEU A 64 -5.367 -3.857 -16.394 1.00 13.31 H new ATOM 0 HD21 LEU A 64 -7.273 -1.600 -17.270 1.00 24.52 H new ATOM 0 HD22 LEU A 64 -5.881 -1.353 -16.188 1.00 24.52 H new ATOM 0 HD23 LEU A 64 -6.033 -0.389 -17.677 1.00 24.52 H new ATOM 990 N TRP A 65 -0.938 -1.526 -16.732 1.00 54.22 N ATOM 991 CA TRP A 65 0.490 -1.811 -16.808 1.00 1.33 C ATOM 992 C TRP A 65 0.977 -2.494 -15.535 1.00 32.43 C ATOM 993 O TRP A 65 1.699 -3.489 -15.591 1.00 3.00 O ATOM 994 CB TRP A 65 1.277 -0.520 -17.041 1.00 12.12 C ATOM 995 CG TRP A 65 2.750 -0.743 -17.206 1.00 74.51 C ATOM 996 CD1 TRP A 65 3.355 -1.818 -17.794 1.00 14.42 C ATOM 997 CD2 TRP A 65 3.802 0.127 -16.777 1.00 0.03 C ATOM 998 NE1 TRP A 65 4.720 -1.667 -17.756 1.00 31.24 N ATOM 999 CE2 TRP A 65 5.020 -0.482 -17.138 1.00 32.14 C ATOM 1000 CE3 TRP A 65 3.834 1.363 -16.125 1.00 23.54 C ATOM 1001 CZ2 TRP A 65 6.254 0.103 -16.866 1.00 54.11 C ATOM 1002 CZ3 TRP A 65 5.060 1.942 -15.855 1.00 73.25 C ATOM 1003 CH2 TRP A 65 6.256 1.313 -16.226 1.00 74.24 C ATOM 0 H TRP A 65 -1.172 -0.534 -16.764 1.00 54.22 H new ATOM 0 HA TRP A 65 0.656 -2.486 -17.647 1.00 1.33 H new ATOM 0 HB2 TRP A 65 0.890 -0.023 -17.931 1.00 12.12 H new ATOM 0 HB3 TRP A 65 1.111 0.155 -16.201 1.00 12.12 H new ATOM 0 HD1 TRP A 65 2.837 -2.662 -18.225 1.00 14.42 H new ATOM 0 HE1 TRP A 65 5.400 -2.330 -18.128 1.00 31.24 H new ATOM 0 HE3 TRP A 65 2.918 1.857 -15.837 1.00 23.54 H new ATOM 0 HZ2 TRP A 65 7.177 -0.381 -17.150 1.00 54.11 H new ATOM 0 HZ3 TRP A 65 5.097 2.896 -15.349 1.00 73.25 H new ATOM 0 HH2 TRP A 65 7.198 1.792 -16.003 1.00 74.24 H new ATOM 1014 N ALA A 66 0.576 -1.955 -14.388 1.00 43.11 N ATOM 1015 CA ALA A 66 0.970 -2.515 -13.101 1.00 63.15 C ATOM 1016 C ALA A 66 0.476 -3.950 -12.953 1.00 64.11 C ATOM 1017 O ALA A 66 1.232 -4.839 -12.560 1.00 32.22 O ATOM 1018 CB ALA A 66 0.441 -1.652 -11.966 1.00 35.43 C ATOM 0 H ALA A 66 -0.022 -1.131 -14.324 1.00 43.11 H new ATOM 0 HA ALA A 66 2.059 -2.527 -13.055 1.00 63.15 H new ATOM 0 HB1 ALA A 66 0.743 -2.082 -11.011 1.00 35.43 H new ATOM 0 HB2 ALA A 66 0.848 -0.645 -12.055 1.00 35.43 H new ATOM 0 HB3 ALA A 66 -0.647 -1.610 -12.017 1.00 35.43 H new ATOM 1024 N ASP A 67 -0.795 -4.169 -13.269 1.00 52.24 N ATOM 1025 CA ASP A 67 -1.390 -5.497 -13.172 1.00 10.45 C ATOM 1026 C ASP A 67 -0.802 -6.434 -14.221 1.00 63.31 C ATOM 1027 O ASP A 67 -0.716 -7.643 -14.008 1.00 74.34 O ATOM 1028 CB ASP A 67 -2.908 -5.412 -13.338 1.00 60.45 C ATOM 1029 CG ASP A 67 -3.539 -6.768 -13.585 1.00 75.42 C ATOM 1030 OD1 ASP A 67 -3.246 -7.708 -12.816 1.00 53.44 O ATOM 1031 OD2 ASP A 67 -4.326 -6.891 -14.548 1.00 11.33 O ATOM 0 H ASP A 67 -1.434 -3.444 -13.595 1.00 52.24 H new ATOM 0 HA ASP A 67 -1.163 -5.899 -12.185 1.00 10.45 H new ATOM 0 HB2 ASP A 67 -3.344 -4.969 -12.443 1.00 60.45 H new ATOM 0 HB3 ASP A 67 -3.143 -4.748 -14.170 1.00 60.45 H new ATOM 1036 N GLU A 68 -0.399 -5.868 -15.354 1.00 44.22 N ATOM 1037 CA GLU A 68 0.180 -6.654 -16.437 1.00 73.53 C ATOM 1038 C GLU A 68 1.424 -7.400 -15.964 1.00 3.12 C ATOM 1039 O GLU A 68 1.689 -8.524 -16.391 1.00 54.20 O ATOM 1040 CB GLU A 68 0.532 -5.752 -17.621 1.00 41.33 C ATOM 1041 CG GLU A 68 -0.526 -5.737 -18.712 1.00 22.41 C ATOM 1042 CD GLU A 68 -0.018 -5.138 -20.009 1.00 74.11 C ATOM 1043 OE1 GLU A 68 0.626 -4.070 -19.958 1.00 24.14 O ATOM 1044 OE2 GLU A 68 -0.267 -5.738 -21.076 1.00 65.00 O ATOM 0 H GLU A 68 -0.463 -4.868 -15.546 1.00 44.22 H new ATOM 0 HA GLU A 68 -0.562 -7.386 -16.756 1.00 73.53 H new ATOM 0 HB2 GLU A 68 0.683 -4.735 -17.259 1.00 41.33 H new ATOM 0 HB3 GLU A 68 1.478 -6.082 -18.049 1.00 41.33 H new ATOM 0 HG2 GLU A 68 -0.867 -6.756 -18.896 1.00 22.41 H new ATOM 0 HG3 GLU A 68 -1.390 -5.169 -18.367 1.00 22.41 H new ATOM 1051 N VAL A 69 2.186 -6.765 -15.079 1.00 21.14 N ATOM 1052 CA VAL A 69 3.403 -7.367 -14.546 1.00 14.10 C ATOM 1053 C VAL A 69 3.078 -8.444 -13.517 1.00 10.44 C ATOM 1054 O VAL A 69 3.793 -9.438 -13.397 1.00 25.30 O ATOM 1055 CB VAL A 69 4.314 -6.309 -13.896 1.00 62.01 C ATOM 1056 CG1 VAL A 69 5.623 -6.938 -13.443 1.00 0.42 C ATOM 1057 CG2 VAL A 69 4.570 -5.162 -14.861 1.00 44.35 C ATOM 0 H VAL A 69 1.982 -5.834 -14.716 1.00 21.14 H new ATOM 0 HA VAL A 69 3.928 -7.819 -15.388 1.00 14.10 H new ATOM 0 HB VAL A 69 3.808 -5.908 -13.018 1.00 62.01 H new ATOM 0 HG11 VAL A 69 6.254 -6.176 -12.986 1.00 0.42 H new ATOM 0 HG12 VAL A 69 5.417 -7.723 -12.715 1.00 0.42 H new ATOM 0 HG13 VAL A 69 6.137 -7.367 -14.303 1.00 0.42 H new ATOM 0 HG21 VAL A 69 5.215 -4.424 -14.385 1.00 44.35 H new ATOM 0 HG22 VAL A 69 5.056 -5.544 -15.759 1.00 44.35 H new ATOM 0 HG23 VAL A 69 3.623 -4.695 -15.131 1.00 44.35 H new ATOM 1067 N ARG A 70 1.994 -8.238 -12.776 1.00 20.34 N ATOM 1068 CA ARG A 70 1.574 -9.191 -11.755 1.00 64.42 C ATOM 1069 C ARG A 70 1.489 -10.602 -12.331 1.00 4.11 C ATOM 1070 O ARG A 70 1.946 -11.563 -11.712 1.00 53.15 O ATOM 1071 CB ARG A 70 0.220 -8.784 -11.173 1.00 75.21 C ATOM 1072 CG ARG A 70 0.248 -7.455 -10.437 1.00 53.30 C ATOM 1073 CD ARG A 70 0.535 -7.644 -8.956 1.00 13.03 C ATOM 1074 NE ARG A 70 -0.688 -7.841 -8.182 1.00 72.21 N ATOM 1075 CZ ARG A 70 -0.714 -8.401 -6.978 1.00 24.41 C ATOM 1076 NH1 ARG A 70 0.411 -8.817 -6.413 1.00 23.25 N ATOM 1077 NH2 ARG A 70 -1.866 -8.546 -6.336 1.00 71.24 N ATOM 0 H ARG A 70 1.391 -7.420 -12.863 1.00 20.34 H new ATOM 0 HA ARG A 70 2.320 -9.186 -10.960 1.00 64.42 H new ATOM 0 HB2 ARG A 70 -0.511 -8.727 -11.980 1.00 75.21 H new ATOM 0 HB3 ARG A 70 -0.120 -9.561 -10.489 1.00 75.21 H new ATOM 0 HG2 ARG A 70 1.009 -6.810 -10.877 1.00 53.30 H new ATOM 0 HG3 ARG A 70 -0.709 -6.949 -10.561 1.00 53.30 H new ATOM 0 HD2 ARG A 70 1.192 -8.503 -8.821 1.00 13.03 H new ATOM 0 HD3 ARG A 70 1.068 -6.772 -8.576 1.00 13.03 H new ATOM 0 HE ARG A 70 -1.571 -7.531 -8.589 1.00 72.21 H new ATOM 0 HH11 ARG A 70 1.299 -8.707 -6.903 1.00 23.25 H new ATOM 0 HH12 ARG A 70 0.389 -9.247 -5.488 1.00 23.25 H new ATOM 0 HH21 ARG A 70 -2.734 -8.227 -6.767 1.00 71.24 H new ATOM 0 HH22 ARG A 70 -1.884 -8.976 -5.411 1.00 71.24 H new ATOM 1091 N GLU A 71 0.902 -10.717 -13.518 1.00 11.11 N ATOM 1092 CA GLU A 71 0.756 -12.010 -14.175 1.00 64.33 C ATOM 1093 C GLU A 71 2.100 -12.727 -14.270 1.00 4.21 C ATOM 1094 O GLU A 71 2.167 -13.956 -14.219 1.00 54.22 O ATOM 1095 CB GLU A 71 0.161 -11.832 -15.574 1.00 24.42 C ATOM 1096 CG GLU A 71 1.181 -11.419 -16.621 1.00 45.31 C ATOM 1097 CD GLU A 71 0.556 -10.666 -17.779 1.00 40.42 C ATOM 1098 OE1 GLU A 71 -0.685 -10.711 -17.914 1.00 42.52 O ATOM 1099 OE2 GLU A 71 1.307 -10.032 -18.550 1.00 75.12 O ATOM 0 H GLU A 71 0.520 -9.931 -14.044 1.00 11.11 H new ATOM 0 HA GLU A 71 0.080 -12.619 -13.575 1.00 64.33 H new ATOM 0 HB2 GLU A 71 -0.306 -12.767 -15.883 1.00 24.42 H new ATOM 0 HB3 GLU A 71 -0.628 -11.081 -15.531 1.00 24.42 H new ATOM 0 HG2 GLU A 71 1.942 -10.794 -16.154 1.00 45.31 H new ATOM 0 HG3 GLU A 71 1.687 -12.307 -17.000 1.00 45.31 H new ATOM 1106 N LEU A 72 3.169 -11.950 -14.408 1.00 64.51 N ATOM 1107 CA LEU A 72 4.513 -12.510 -14.511 1.00 10.45 C ATOM 1108 C LEU A 72 4.999 -13.012 -13.155 1.00 14.24 C ATOM 1109 O LEU A 72 5.762 -13.974 -13.075 1.00 3.20 O ATOM 1110 CB LEU A 72 5.483 -11.460 -15.056 1.00 22.22 C ATOM 1111 CG LEU A 72 6.145 -11.789 -16.394 1.00 61.33 C ATOM 1112 CD1 LEU A 72 6.821 -13.150 -16.335 1.00 61.32 C ATOM 1113 CD2 LEU A 72 5.122 -11.749 -17.520 1.00 13.43 C ATOM 0 H LEU A 72 3.132 -10.932 -14.451 1.00 64.51 H new ATOM 0 HA LEU A 72 4.477 -13.355 -15.199 1.00 10.45 H new ATOM 0 HB2 LEU A 72 4.945 -10.518 -15.161 1.00 22.22 H new ATOM 0 HB3 LEU A 72 6.267 -11.299 -14.316 1.00 22.22 H new ATOM 0 HG LEU A 72 6.907 -11.036 -16.595 1.00 61.33 H new ATOM 0 HD11 LEU A 72 7.287 -13.367 -17.296 1.00 61.32 H new ATOM 0 HD12 LEU A 72 7.583 -13.144 -15.556 1.00 61.32 H new ATOM 0 HD13 LEU A 72 6.078 -13.916 -16.111 1.00 61.32 H new ATOM 0 HD21 LEU A 72 5.611 -11.986 -18.465 1.00 13.43 H new ATOM 0 HD22 LEU A 72 4.337 -12.480 -17.325 1.00 13.43 H new ATOM 0 HD23 LEU A 72 4.684 -10.753 -17.578 1.00 13.43 H new ATOM 1125 N SER A 73 4.548 -12.355 -12.090 1.00 65.12 N ATOM 1126 CA SER A 73 4.938 -12.734 -10.737 1.00 43.21 C ATOM 1127 C SER A 73 4.681 -14.218 -10.493 1.00 1.31 C ATOM 1128 O SER A 73 5.451 -14.887 -9.804 1.00 33.44 O ATOM 1129 CB SER A 73 4.174 -11.896 -9.710 1.00 73.41 C ATOM 1130 OG SER A 73 2.899 -12.456 -9.443 1.00 43.31 O ATOM 0 H SER A 73 3.913 -11.558 -12.138 1.00 65.12 H new ATOM 0 HA SER A 73 6.006 -12.546 -10.627 1.00 43.21 H new ATOM 0 HB2 SER A 73 4.749 -11.835 -8.786 1.00 73.41 H new ATOM 0 HB3 SER A 73 4.057 -10.878 -10.081 1.00 73.41 H new ATOM 0 HG SER A 73 2.264 -12.165 -10.130 1.00 43.31 H new ATOM 1136 N TYR A 74 3.594 -14.725 -11.063 1.00 52.31 N ATOM 1137 CA TYR A 74 3.232 -16.128 -10.906 1.00 64.53 C ATOM 1138 C TYR A 74 4.354 -17.038 -11.398 1.00 61.11 C ATOM 1139 O TYR A 74 4.569 -18.124 -10.861 1.00 24.45 O ATOM 1140 CB TYR A 74 1.942 -16.433 -11.669 1.00 41.04 C ATOM 1141 CG TYR A 74 0.687 -16.146 -10.876 1.00 64.00 C ATOM 1142 CD1 TYR A 74 0.501 -16.693 -9.612 1.00 50.51 C ATOM 1143 CD2 TYR A 74 -0.312 -15.330 -11.390 1.00 51.54 C ATOM 1144 CE1 TYR A 74 -0.644 -16.434 -8.884 1.00 11.22 C ATOM 1145 CE2 TYR A 74 -1.460 -15.064 -10.669 1.00 23.14 C ATOM 1146 CZ TYR A 74 -1.621 -15.619 -9.416 1.00 51.31 C ATOM 1147 OH TYR A 74 -2.764 -15.358 -8.695 1.00 5.14 O ATOM 0 H TYR A 74 2.948 -14.185 -11.638 1.00 52.31 H new ATOM 0 HA TYR A 74 3.072 -16.319 -9.845 1.00 64.53 H new ATOM 0 HB2 TYR A 74 1.925 -15.844 -12.586 1.00 41.04 H new ATOM 0 HB3 TYR A 74 1.944 -17.482 -11.964 1.00 41.04 H new ATOM 0 HD1 TYR A 74 1.264 -17.331 -9.192 1.00 50.51 H new ATOM 0 HD2 TYR A 74 -0.189 -14.895 -12.371 1.00 51.54 H new ATOM 0 HE1 TYR A 74 -0.773 -16.867 -7.903 1.00 11.22 H new ATOM 0 HE2 TYR A 74 -2.226 -14.426 -11.083 1.00 23.14 H new ATOM 0 HH TYR A 74 -3.349 -14.766 -9.212 1.00 5.14 H new ATOM 1157 N VAL A 75 5.067 -16.585 -12.425 1.00 22.25 N ATOM 1158 CA VAL A 75 6.169 -17.356 -12.989 1.00 54.24 C ATOM 1159 C VAL A 75 7.359 -17.393 -12.037 1.00 54.32 C ATOM 1160 O VAL A 75 8.091 -18.381 -11.981 1.00 41.13 O ATOM 1161 CB VAL A 75 6.625 -16.775 -14.341 1.00 75.12 C ATOM 1162 CG1 VAL A 75 7.654 -17.685 -14.994 1.00 34.53 C ATOM 1163 CG2 VAL A 75 5.430 -16.562 -15.259 1.00 63.42 C ATOM 0 H VAL A 75 4.901 -15.689 -12.883 1.00 22.25 H new ATOM 0 HA VAL A 75 5.800 -18.370 -13.143 1.00 54.24 H new ATOM 0 HB VAL A 75 7.094 -15.807 -14.162 1.00 75.12 H new ATOM 0 HG11 VAL A 75 7.964 -17.258 -15.948 1.00 34.53 H new ATOM 0 HG12 VAL A 75 8.521 -17.782 -14.341 1.00 34.53 H new ATOM 0 HG13 VAL A 75 7.215 -18.669 -15.162 1.00 34.53 H new ATOM 0 HG21 VAL A 75 5.770 -16.151 -16.210 1.00 63.42 H new ATOM 0 HG22 VAL A 75 4.931 -17.515 -15.433 1.00 63.42 H new ATOM 0 HG23 VAL A 75 4.732 -15.867 -14.792 1.00 63.42 H new ATOM 1173 N ILE A 76 7.545 -16.310 -11.290 1.00 30.12 N ATOM 1174 CA ILE A 76 8.645 -16.220 -10.338 1.00 45.53 C ATOM 1175 C ILE A 76 8.636 -17.400 -9.373 1.00 13.45 C ATOM 1176 O ILE A 76 9.687 -17.860 -8.930 1.00 24.11 O ATOM 1177 CB ILE A 76 8.585 -14.909 -9.531 1.00 22.41 C ATOM 1178 CG1 ILE A 76 8.613 -13.703 -10.472 1.00 34.21 C ATOM 1179 CG2 ILE A 76 9.740 -14.843 -8.542 1.00 74.01 C ATOM 1180 CD1 ILE A 76 8.463 -12.377 -9.759 1.00 63.32 C ATOM 0 H ILE A 76 6.949 -15.483 -11.326 1.00 30.12 H new ATOM 0 HA ILE A 76 9.567 -16.237 -10.919 1.00 45.53 H new ATOM 0 HB ILE A 76 7.650 -14.887 -8.971 1.00 22.41 H new ATOM 0 HG12 ILE A 76 9.553 -13.705 -11.024 1.00 34.21 H new ATOM 0 HG13 ILE A 76 7.812 -13.805 -11.205 1.00 34.21 H new ATOM 0 HG21 ILE A 76 9.684 -13.911 -7.979 1.00 74.01 H new ATOM 0 HG22 ILE A 76 9.679 -15.687 -7.854 1.00 74.01 H new ATOM 0 HG23 ILE A 76 10.685 -14.884 -9.083 1.00 74.01 H new ATOM 0 HD11 ILE A 76 8.492 -11.567 -10.488 1.00 63.32 H new ATOM 0 HD12 ILE A 76 7.511 -12.355 -9.229 1.00 63.32 H new ATOM 0 HD13 ILE A 76 9.278 -12.253 -9.046 1.00 63.32 H new ATOM 1192 N GLU A 77 7.440 -17.885 -9.052 1.00 4.02 N ATOM 1193 CA GLU A 77 7.294 -19.013 -8.139 1.00 5.30 C ATOM 1194 C GLU A 77 8.167 -20.185 -8.578 1.00 44.33 C ATOM 1195 O GLU A 77 8.702 -20.920 -7.748 1.00 1.21 O ATOM 1196 CB GLU A 77 5.831 -19.452 -8.066 1.00 33.22 C ATOM 1197 CG GLU A 77 4.899 -18.379 -7.527 1.00 63.30 C ATOM 1198 CD GLU A 77 3.436 -18.741 -7.691 1.00 31.21 C ATOM 1199 OE1 GLU A 77 3.108 -19.469 -8.651 1.00 51.33 O ATOM 1200 OE2 GLU A 77 2.619 -18.297 -6.858 1.00 14.44 O ATOM 0 H GLU A 77 6.560 -17.515 -9.410 1.00 4.02 H new ATOM 0 HA GLU A 77 7.619 -18.691 -7.150 1.00 5.30 H new ATOM 0 HB2 GLU A 77 5.498 -19.744 -9.062 1.00 33.22 H new ATOM 0 HB3 GLU A 77 5.757 -20.337 -7.433 1.00 33.22 H new ATOM 0 HG2 GLU A 77 5.113 -18.215 -6.471 1.00 63.30 H new ATOM 0 HG3 GLU A 77 5.097 -17.439 -8.042 1.00 63.30 H new ATOM 1207 N ASP A 78 8.306 -20.353 -9.889 1.00 1.43 N ATOM 1208 CA ASP A 78 9.114 -21.434 -10.440 1.00 21.43 C ATOM 1209 C ASP A 78 10.516 -21.427 -9.838 1.00 12.42 C ATOM 1210 O ASP A 78 11.161 -22.469 -9.728 1.00 52.13 O ATOM 1211 CB ASP A 78 9.199 -21.312 -11.962 1.00 35.21 C ATOM 1212 CG ASP A 78 9.503 -22.637 -12.633 1.00 64.00 C ATOM 1213 OD1 ASP A 78 8.547 -23.365 -12.972 1.00 54.21 O ATOM 1214 OD2 ASP A 78 10.699 -22.946 -12.820 1.00 53.30 O ATOM 0 H ASP A 78 7.869 -19.754 -10.590 1.00 1.43 H new ATOM 0 HA ASP A 78 8.633 -22.379 -10.185 1.00 21.43 H new ATOM 0 HB2 ASP A 78 8.256 -20.922 -12.345 1.00 35.21 H new ATOM 0 HB3 ASP A 78 9.973 -20.590 -12.223 1.00 35.21 H new ATOM 1219 N ALA A 79 10.981 -20.244 -9.450 1.00 42.41 N ATOM 1220 CA ALA A 79 12.306 -20.100 -8.859 1.00 33.33 C ATOM 1221 C ALA A 79 12.489 -21.055 -7.684 1.00 34.02 C ATOM 1222 O ALA A 79 13.453 -21.819 -7.636 1.00 74.31 O ATOM 1223 CB ALA A 79 12.532 -18.663 -8.414 1.00 23.14 C ATOM 0 H ALA A 79 10.460 -19.371 -9.534 1.00 42.41 H new ATOM 0 HA ALA A 79 13.045 -20.354 -9.619 1.00 33.33 H new ATOM 0 HB1 ALA A 79 13.525 -18.570 -7.975 1.00 23.14 H new ATOM 0 HB2 ALA A 79 12.452 -17.999 -9.275 1.00 23.14 H new ATOM 0 HB3 ALA A 79 11.781 -18.389 -7.673 1.00 23.14 H new ATOM 1229 N VAL A 80 11.557 -21.006 -6.737 1.00 3.44 N ATOM 1230 CA VAL A 80 11.616 -21.867 -5.561 1.00 52.34 C ATOM 1231 C VAL A 80 11.199 -23.293 -5.904 1.00 1.44 C ATOM 1232 O VAL A 80 11.608 -24.246 -5.240 1.00 52.13 O ATOM 1233 CB VAL A 80 10.713 -21.337 -4.432 1.00 13.31 C ATOM 1234 CG1 VAL A 80 11.243 -20.014 -3.900 1.00 52.34 C ATOM 1235 CG2 VAL A 80 9.280 -21.188 -4.921 1.00 71.50 C ATOM 0 H VAL A 80 10.752 -20.380 -6.761 1.00 3.44 H new ATOM 0 HA VAL A 80 12.651 -21.866 -5.219 1.00 52.34 H new ATOM 0 HB VAL A 80 10.721 -22.059 -3.616 1.00 13.31 H new ATOM 0 HG11 VAL A 80 10.592 -19.655 -3.103 1.00 52.34 H new ATOM 0 HG12 VAL A 80 12.250 -20.156 -3.509 1.00 52.34 H new ATOM 0 HG13 VAL A 80 11.267 -19.281 -4.706 1.00 52.34 H new ATOM 0 HG21 VAL A 80 8.656 -20.812 -4.110 1.00 71.50 H new ATOM 0 HG22 VAL A 80 9.251 -20.487 -5.755 1.00 71.50 H new ATOM 0 HG23 VAL A 80 8.905 -22.158 -5.248 1.00 71.50 H new ATOM 1245 N ASP A 81 10.384 -23.431 -6.943 1.00 71.43 N ATOM 1246 CA ASP A 81 9.912 -24.742 -7.376 1.00 3.14 C ATOM 1247 C ASP A 81 11.082 -25.634 -7.779 1.00 31.54 C ATOM 1248 O ASP A 81 11.004 -26.860 -7.684 1.00 12.54 O ATOM 1249 CB ASP A 81 8.939 -24.597 -8.546 1.00 54.51 C ATOM 1250 CG ASP A 81 7.666 -23.872 -8.154 1.00 31.20 C ATOM 1251 OD1 ASP A 81 7.582 -23.402 -7.000 1.00 11.11 O ATOM 1252 OD2 ASP A 81 6.754 -23.775 -9.001 1.00 40.24 O ATOM 0 H ASP A 81 10.036 -22.652 -7.502 1.00 71.43 H new ATOM 0 HA ASP A 81 9.393 -25.209 -6.539 1.00 3.14 H new ATOM 0 HB2 ASP A 81 9.427 -24.055 -9.356 1.00 54.51 H new ATOM 0 HB3 ASP A 81 8.687 -25.586 -8.930 1.00 54.51 H new ATOM 1257 N LYS A 82 12.166 -25.013 -8.230 1.00 10.31 N ATOM 1258 CA LYS A 82 13.353 -25.749 -8.648 1.00 31.33 C ATOM 1259 C LYS A 82 13.841 -26.671 -7.535 1.00 32.41 C ATOM 1260 O LYS A 82 14.214 -27.818 -7.784 1.00 13.00 O ATOM 1261 CB LYS A 82 14.467 -24.778 -9.045 1.00 61.43 C ATOM 1262 CG LYS A 82 14.143 -23.952 -10.278 1.00 32.22 C ATOM 1263 CD LYS A 82 14.121 -24.808 -11.533 1.00 72.30 C ATOM 1264 CE LYS A 82 15.525 -25.210 -11.959 1.00 12.43 C ATOM 1265 NZ LYS A 82 15.542 -26.537 -12.633 1.00 31.43 N ATOM 0 H LYS A 82 12.247 -24.000 -8.316 1.00 10.31 H new ATOM 0 HA LYS A 82 13.086 -26.359 -9.511 1.00 31.33 H new ATOM 0 HB2 LYS A 82 14.667 -24.106 -8.210 1.00 61.43 H new ATOM 0 HB3 LYS A 82 15.382 -25.342 -9.226 1.00 61.43 H new ATOM 0 HG2 LYS A 82 13.174 -23.469 -10.149 1.00 32.22 H new ATOM 0 HG3 LYS A 82 14.882 -23.159 -10.390 1.00 32.22 H new ATOM 0 HD2 LYS A 82 13.524 -25.702 -11.354 1.00 72.30 H new ATOM 0 HD3 LYS A 82 13.638 -24.259 -12.341 1.00 72.30 H new ATOM 0 HE2 LYS A 82 15.930 -24.455 -12.633 1.00 12.43 H new ATOM 0 HE3 LYS A 82 16.175 -25.238 -11.085 1.00 12.43 H new ATOM 0 HZ1 LYS A 82 16.517 -26.774 -12.908 1.00 31.43 H new ATOM 0 HZ2 LYS A 82 15.180 -27.262 -11.981 1.00 31.43 H new ATOM 0 HZ3 LYS A 82 14.942 -26.503 -13.482 1.00 31.43 H new ATOM 1279 N PHE A 83 13.834 -26.164 -6.307 1.00 2.13 N ATOM 1280 CA PHE A 83 14.276 -26.943 -5.155 1.00 53.54 C ATOM 1281 C PHE A 83 13.234 -27.990 -4.776 1.00 35.35 C ATOM 1282 O PHE A 83 13.570 -29.067 -4.280 1.00 43.34 O ATOM 1283 CB PHE A 83 14.547 -26.022 -3.964 1.00 44.31 C ATOM 1284 CG PHE A 83 15.386 -26.659 -2.893 1.00 42.42 C ATOM 1285 CD1 PHE A 83 14.869 -27.669 -2.099 1.00 30.11 C ATOM 1286 CD2 PHE A 83 16.692 -26.246 -2.681 1.00 32.34 C ATOM 1287 CE1 PHE A 83 15.638 -28.258 -1.113 1.00 3.42 C ATOM 1288 CE2 PHE A 83 17.466 -26.831 -1.696 1.00 70.34 C ATOM 1289 CZ PHE A 83 16.938 -27.837 -0.911 1.00 22.33 C ATOM 0 H PHE A 83 13.527 -25.217 -6.083 1.00 2.13 H new ATOM 0 HA PHE A 83 15.199 -27.456 -5.426 1.00 53.54 H new ATOM 0 HB2 PHE A 83 15.047 -25.121 -4.318 1.00 44.31 H new ATOM 0 HB3 PHE A 83 13.596 -25.710 -3.532 1.00 44.31 H new ATOM 0 HD1 PHE A 83 13.853 -28.000 -2.252 1.00 30.11 H new ATOM 0 HD2 PHE A 83 17.109 -25.459 -3.292 1.00 32.34 H new ATOM 0 HE1 PHE A 83 15.223 -29.046 -0.502 1.00 3.42 H new ATOM 0 HE2 PHE A 83 18.483 -26.501 -1.541 1.00 70.34 H new ATOM 0 HZ PHE A 83 17.541 -28.294 -0.140 1.00 22.33 H new ATOM 1299 N LEU A 84 11.966 -27.668 -5.010 1.00 44.41 N ATOM 1300 CA LEU A 84 10.873 -28.580 -4.692 1.00 42.25 C ATOM 1301 C LEU A 84 10.848 -29.758 -5.661 1.00 51.34 C ATOM 1302 O LEU A 84 10.106 -30.720 -5.466 1.00 32.33 O ATOM 1303 CB LEU A 84 9.535 -27.839 -4.737 1.00 65.21 C ATOM 1304 CG LEU A 84 9.464 -26.534 -3.944 1.00 43.33 C ATOM 1305 CD1 LEU A 84 8.192 -25.772 -4.283 1.00 30.54 C ATOM 1306 CD2 LEU A 84 9.540 -26.812 -2.450 1.00 61.32 C ATOM 0 H LEU A 84 11.670 -26.782 -5.419 1.00 44.41 H new ATOM 0 HA LEU A 84 11.034 -28.965 -3.685 1.00 42.25 H new ATOM 0 HB2 LEU A 84 9.298 -27.621 -5.778 1.00 65.21 H new ATOM 0 HB3 LEU A 84 8.759 -28.509 -4.367 1.00 65.21 H new ATOM 0 HG LEU A 84 10.318 -25.916 -4.221 1.00 43.33 H new ATOM 0 HD11 LEU A 84 8.159 -24.846 -3.709 1.00 30.54 H new ATOM 0 HD12 LEU A 84 8.180 -25.540 -5.348 1.00 30.54 H new ATOM 0 HD13 LEU A 84 7.324 -26.384 -4.035 1.00 30.54 H new ATOM 0 HD21 LEU A 84 9.488 -25.871 -1.902 1.00 61.32 H new ATOM 0 HD22 LEU A 84 8.707 -27.450 -2.156 1.00 61.32 H new ATOM 0 HD23 LEU A 84 10.480 -27.314 -2.221 1.00 61.32 H new ATOM 1318 N VAL A 85 11.665 -29.675 -6.706 1.00 64.53 N ATOM 1319 CA VAL A 85 11.740 -30.736 -7.704 1.00 54.22 C ATOM 1320 C VAL A 85 11.942 -32.096 -7.047 1.00 32.34 C ATOM 1321 O VAL A 85 11.502 -33.121 -7.568 1.00 54.22 O ATOM 1322 CB VAL A 85 12.884 -30.486 -8.704 1.00 60.24 C ATOM 1323 CG1 VAL A 85 14.234 -30.689 -8.033 1.00 52.51 C ATOM 1324 CG2 VAL A 85 12.740 -31.395 -9.916 1.00 22.33 C ATOM 0 H VAL A 85 12.284 -28.884 -6.884 1.00 64.53 H new ATOM 0 HA VAL A 85 10.791 -30.733 -8.241 1.00 54.22 H new ATOM 0 HB VAL A 85 12.826 -29.452 -9.044 1.00 60.24 H new ATOM 0 HG11 VAL A 85 15.030 -30.508 -8.755 1.00 52.51 H new ATOM 0 HG12 VAL A 85 14.335 -29.993 -7.200 1.00 52.51 H new ATOM 0 HG13 VAL A 85 14.306 -31.712 -7.662 1.00 52.51 H new ATOM 0 HG21 VAL A 85 13.557 -31.205 -10.612 1.00 22.33 H new ATOM 0 HG22 VAL A 85 12.771 -32.436 -9.596 1.00 22.33 H new ATOM 0 HG23 VAL A 85 11.789 -31.196 -10.409 1.00 22.33 H new ATOM 1334 N ARG A 86 12.610 -32.099 -5.898 1.00 2.41 N ATOM 1335 CA ARG A 86 12.872 -33.334 -5.169 1.00 14.55 C ATOM 1336 C ARG A 86 11.568 -34.044 -4.818 1.00 73.41 C ATOM 1337 O ARG A 86 11.306 -35.152 -5.288 1.00 42.32 O ATOM 1338 CB ARG A 86 13.663 -33.040 -3.893 1.00 45.30 C ATOM 1339 CG ARG A 86 15.153 -33.309 -4.026 1.00 5.14 C ATOM 1340 CD ARG A 86 15.751 -33.792 -2.714 1.00 22.25 C ATOM 1341 NE ARG A 86 16.967 -33.062 -2.364 1.00 32.10 N ATOM 1342 CZ ARG A 86 17.677 -33.300 -1.267 1.00 21.00 C ATOM 1343 NH1 ARG A 86 17.295 -34.244 -0.418 1.00 4.13 N ATOM 1344 NH2 ARG A 86 18.772 -32.593 -1.018 1.00 22.30 N ATOM 0 H ARG A 86 12.980 -31.260 -5.452 1.00 2.41 H new ATOM 0 HA ARG A 86 13.461 -33.988 -5.812 1.00 14.55 H new ATOM 0 HB2 ARG A 86 13.514 -31.997 -3.615 1.00 45.30 H new ATOM 0 HB3 ARG A 86 13.264 -33.646 -3.080 1.00 45.30 H new ATOM 0 HG2 ARG A 86 15.321 -34.057 -4.801 1.00 5.14 H new ATOM 0 HG3 ARG A 86 15.661 -32.399 -4.346 1.00 5.14 H new ATOM 0 HD2 ARG A 86 15.017 -33.676 -1.917 1.00 22.25 H new ATOM 0 HD3 ARG A 86 15.976 -34.856 -2.788 1.00 22.25 H new ATOM 0 HE ARG A 86 17.288 -32.329 -2.997 1.00 32.10 H new ATOM 0 HH11 ARG A 86 16.454 -34.790 -0.607 1.00 4.13 H new ATOM 0 HH12 ARG A 86 17.842 -34.425 0.424 1.00 4.13 H new ATOM 0 HH21 ARG A 86 19.069 -31.866 -1.669 1.00 22.30 H new ATOM 0 HH22 ARG A 86 19.317 -32.776 -0.175 1.00 22.30 H new ATOM 1358 N VAL A 87 10.753 -33.400 -3.989 1.00 32.13 N ATOM 1359 CA VAL A 87 9.476 -33.970 -3.575 1.00 51.14 C ATOM 1360 C VAL A 87 8.592 -34.269 -4.781 1.00 15.52 C ATOM 1361 O VAL A 87 7.686 -35.100 -4.709 1.00 60.13 O ATOM 1362 CB VAL A 87 8.722 -33.025 -2.621 1.00 41.41 C ATOM 1363 CG1 VAL A 87 9.509 -32.825 -1.335 1.00 44.21 C ATOM 1364 CG2 VAL A 87 8.447 -31.691 -3.300 1.00 32.40 C ATOM 0 H VAL A 87 10.954 -32.483 -3.591 1.00 32.13 H new ATOM 0 HA VAL A 87 9.699 -34.900 -3.051 1.00 51.14 H new ATOM 0 HB VAL A 87 7.766 -33.481 -2.366 1.00 41.41 H new ATOM 0 HG11 VAL A 87 8.961 -32.154 -0.673 1.00 44.21 H new ATOM 0 HG12 VAL A 87 9.650 -33.787 -0.841 1.00 44.21 H new ATOM 0 HG13 VAL A 87 10.481 -32.390 -1.567 1.00 44.21 H new ATOM 0 HG21 VAL A 87 7.914 -31.035 -2.612 1.00 32.40 H new ATOM 0 HG22 VAL A 87 9.391 -31.227 -3.585 1.00 32.40 H new ATOM 0 HG23 VAL A 87 7.839 -31.854 -4.190 1.00 32.40 H new ATOM 1374 N HIS A 88 8.860 -33.585 -5.889 1.00 0.02 N ATOM 1375 CA HIS A 88 8.089 -33.778 -7.112 1.00 11.22 C ATOM 1376 C HIS A 88 8.414 -35.124 -7.752 1.00 53.02 C ATOM 1377 O HIS A 88 7.682 -35.604 -8.617 1.00 10.11 O ATOM 1378 CB HIS A 88 8.372 -32.647 -8.102 1.00 32.43 C ATOM 1379 CG HIS A 88 7.195 -32.292 -8.958 1.00 22.43 C ATOM 1380 ND1 HIS A 88 7.125 -31.130 -9.696 1.00 12.45 N ATOM 1381 CD2 HIS A 88 6.039 -32.956 -9.192 1.00 52.43 C ATOM 1382 CE1 HIS A 88 5.975 -31.092 -10.346 1.00 24.14 C ATOM 1383 NE2 HIS A 88 5.298 -32.189 -10.058 1.00 10.13 N ATOM 0 H HIS A 88 9.605 -32.892 -5.965 1.00 0.02 H new ATOM 0 HA HIS A 88 7.031 -33.766 -6.851 1.00 11.22 H new ATOM 0 HB2 HIS A 88 8.689 -31.762 -7.550 1.00 32.43 H new ATOM 0 HB3 HIS A 88 9.204 -32.937 -8.744 1.00 32.43 H new ATOM 0 HD2 HIS A 88 5.753 -33.910 -8.776 1.00 52.43 H new ATOM 0 HE1 HIS A 88 5.645 -30.299 -11.001 1.00 24.14 H new ATOM 0 HE2 HIS A 88 4.375 -32.428 -10.420 1.00 10.13 H new ATOM 1391 N GLY A 89 9.517 -35.728 -7.322 1.00 23.13 N ATOM 1392 CA GLY A 89 9.920 -37.012 -7.865 1.00 32.34 C ATOM 1393 C GLY A 89 10.877 -36.874 -9.032 1.00 32.00 C ATOM 1394 O GLY A 89 11.695 -37.759 -9.282 1.00 20.32 O ATOM 0 H GLY A 89 10.139 -35.351 -6.607 1.00 23.13 H new ATOM 0 HA2 GLY A 89 10.392 -37.603 -7.080 1.00 32.34 H new ATOM 0 HA3 GLY A 89 9.035 -37.560 -8.188 1.00 32.34 H new ATOM 1398 N VAL A 90 10.774 -35.761 -9.751 1.00 11.41 N ATOM 1399 CA VAL A 90 11.637 -35.510 -10.899 1.00 53.50 C ATOM 1400 C VAL A 90 12.897 -34.758 -10.486 1.00 11.35 C ATOM 1401 O VAL A 90 12.991 -34.254 -9.367 1.00 3.21 O ATOM 1402 CB VAL A 90 10.903 -34.701 -11.986 1.00 65.41 C ATOM 1403 CG1 VAL A 90 9.773 -35.521 -12.590 1.00 23.11 C ATOM 1404 CG2 VAL A 90 10.378 -33.394 -11.414 1.00 12.34 C ATOM 0 H VAL A 90 10.101 -35.019 -9.559 1.00 11.41 H new ATOM 0 HA VAL A 90 11.915 -36.483 -11.305 1.00 53.50 H new ATOM 0 HB VAL A 90 11.612 -34.464 -12.779 1.00 65.41 H new ATOM 0 HG11 VAL A 90 9.266 -34.934 -13.356 1.00 23.11 H new ATOM 0 HG12 VAL A 90 10.180 -36.427 -13.038 1.00 23.11 H new ATOM 0 HG13 VAL A 90 9.062 -35.791 -11.809 1.00 23.11 H new ATOM 0 HG21 VAL A 90 9.863 -32.836 -12.196 1.00 12.34 H new ATOM 0 HG22 VAL A 90 9.683 -33.606 -10.601 1.00 12.34 H new ATOM 0 HG23 VAL A 90 11.211 -32.802 -11.035 1.00 12.34 H new ATOM 1414 N GLU A 91 13.863 -34.686 -11.396 1.00 75.14 N ATOM 1415 CA GLU A 91 15.118 -33.995 -11.125 1.00 72.43 C ATOM 1416 C GLU A 91 15.201 -32.690 -11.912 1.00 24.25 C ATOM 1417 O GLU A 91 14.546 -32.511 -12.938 1.00 71.52 O ATOM 1418 CB GLU A 91 16.306 -34.893 -11.478 1.00 11.14 C ATOM 1419 CG GLU A 91 16.148 -35.619 -12.803 1.00 21.21 C ATOM 1420 CD GLU A 91 17.473 -36.084 -13.375 1.00 4.40 C ATOM 1421 OE1 GLU A 91 18.092 -36.990 -12.778 1.00 14.20 O ATOM 1422 OE2 GLU A 91 17.892 -35.541 -14.419 1.00 24.23 O ATOM 0 H GLU A 91 13.801 -35.098 -12.327 1.00 75.14 H new ATOM 0 HA GLU A 91 15.152 -33.760 -10.061 1.00 72.43 H new ATOM 0 HB2 GLU A 91 17.211 -34.287 -11.511 1.00 11.14 H new ATOM 0 HB3 GLU A 91 16.443 -35.628 -10.685 1.00 11.14 H new ATOM 0 HG2 GLU A 91 15.494 -36.480 -12.666 1.00 21.21 H new ATOM 0 HG3 GLU A 91 15.659 -34.958 -13.519 1.00 21.21 H new ATOM 1429 N PRO A 92 16.027 -31.755 -11.419 1.00 21.02 N ATOM 1430 CA PRO A 92 16.217 -30.450 -12.059 1.00 13.12 C ATOM 1431 C PRO A 92 16.968 -30.556 -13.381 1.00 62.53 C ATOM 1432 O PRO A 92 17.831 -31.419 -13.548 1.00 74.14 O ATOM 1433 CB PRO A 92 17.045 -29.670 -11.035 1.00 13.43 C ATOM 1434 CG PRO A 92 17.763 -30.715 -10.253 1.00 44.33 C ATOM 1435 CD PRO A 92 16.840 -31.900 -10.199 1.00 54.12 C ATOM 0 HA PRO A 92 15.267 -29.977 -12.309 1.00 13.12 H new ATOM 0 HB2 PRO A 92 17.744 -28.992 -11.525 1.00 13.43 H new ATOM 0 HB3 PRO A 92 16.409 -29.062 -10.392 1.00 13.43 H new ATOM 0 HG2 PRO A 92 18.708 -30.978 -10.729 1.00 44.33 H new ATOM 0 HG3 PRO A 92 17.999 -30.359 -9.250 1.00 44.33 H new ATOM 0 HD2 PRO A 92 17.392 -32.840 -10.193 1.00 54.12 H new ATOM 0 HD3 PRO A 92 16.223 -31.888 -9.301 1.00 54.12 H new ATOM 1443 N ASP A 93 16.636 -29.675 -14.318 1.00 10.12 N ATOM 1444 CA ASP A 93 17.281 -29.669 -15.626 1.00 30.03 C ATOM 1445 C ASP A 93 17.247 -28.274 -16.242 1.00 72.12 C ATOM 1446 O ASP A 93 16.600 -27.368 -15.716 1.00 43.14 O ATOM 1447 CB ASP A 93 16.598 -30.670 -16.559 1.00 40.33 C ATOM 1448 CG ASP A 93 17.556 -31.263 -17.573 1.00 44.43 C ATOM 1449 OD1 ASP A 93 18.752 -30.902 -17.542 1.00 52.42 O ATOM 1450 OD2 ASP A 93 17.111 -32.088 -18.397 1.00 64.35 O ATOM 0 H ASP A 93 15.924 -28.955 -14.196 1.00 10.12 H new ATOM 0 HA ASP A 93 18.322 -29.962 -15.492 1.00 30.03 H new ATOM 0 HB2 ASP A 93 16.158 -31.472 -15.967 1.00 40.33 H new ATOM 0 HB3 ASP A 93 15.780 -30.175 -17.082 1.00 40.33 H new ATOM 1455 N ASP A 94 17.947 -28.109 -17.359 1.00 23.13 N ATOM 1456 CA ASP A 94 17.997 -26.825 -18.047 1.00 44.52 C ATOM 1457 C ASP A 94 16.873 -26.713 -19.072 1.00 12.01 C ATOM 1458 O ASP A 94 16.130 -25.733 -19.088 1.00 15.11 O ATOM 1459 CB ASP A 94 19.351 -26.643 -18.736 1.00 22.15 C ATOM 1460 CG ASP A 94 19.730 -27.836 -19.591 1.00 41.22 C ATOM 1461 OD1 ASP A 94 19.985 -28.918 -19.022 1.00 11.12 O ATOM 1462 OD2 ASP A 94 19.771 -27.687 -20.830 1.00 71.43 O ATOM 0 H ASP A 94 18.488 -28.849 -17.807 1.00 23.13 H new ATOM 0 HA ASP A 94 17.867 -26.038 -17.304 1.00 44.52 H new ATOM 0 HB2 ASP A 94 19.322 -25.748 -19.358 1.00 22.15 H new ATOM 0 HB3 ASP A 94 20.121 -26.481 -17.981 1.00 22.15 H new ATOM 1467 N ASN A 95 16.756 -27.724 -19.927 1.00 15.03 N ATOM 1468 CA ASN A 95 15.723 -27.739 -20.956 1.00 54.42 C ATOM 1469 C ASN A 95 14.331 -27.752 -20.331 1.00 2.35 C ATOM 1470 O ASN A 95 13.362 -27.288 -20.933 1.00 63.32 O ATOM 1471 CB ASN A 95 15.897 -28.957 -21.865 1.00 53.34 C ATOM 1472 CG ASN A 95 17.242 -28.968 -22.566 1.00 55.32 C ATOM 1473 OD1 ASN A 95 17.712 -27.937 -23.047 1.00 52.50 O ATOM 1474 ND2 ASN A 95 17.867 -30.137 -22.627 1.00 62.42 N ATOM 0 H ASN A 95 17.364 -28.543 -19.927 1.00 15.03 H new ATOM 0 HA ASN A 95 15.826 -26.832 -21.551 1.00 54.42 H new ATOM 0 HB2 ASN A 95 15.791 -29.866 -21.274 1.00 53.34 H new ATOM 0 HB3 ASN A 95 15.102 -28.967 -22.610 1.00 53.34 H new ATOM 0 HD21 ASN A 95 18.775 -30.207 -23.087 1.00 62.42 H new ATOM 0 HD22 ASN A 95 17.439 -30.966 -22.214 1.00 62.42 H new ATOM 1481 N THR A 96 14.239 -28.286 -19.116 1.00 41.54 N ATOM 1482 CA THR A 96 12.967 -28.360 -18.409 1.00 3.14 C ATOM 1483 C THR A 96 12.559 -26.995 -17.867 1.00 54.44 C ATOM 1484 O THR A 96 11.377 -26.731 -17.650 1.00 72.21 O ATOM 1485 CB THR A 96 13.031 -29.364 -17.242 1.00 44.30 C ATOM 1486 OG1 THR A 96 14.022 -28.951 -16.294 1.00 44.14 O ATOM 1487 CG2 THR A 96 13.357 -30.761 -17.748 1.00 10.03 C ATOM 0 H THR A 96 15.030 -28.673 -18.602 1.00 41.54 H new ATOM 0 HA THR A 96 12.224 -28.699 -19.131 1.00 3.14 H new ATOM 0 HB THR A 96 12.054 -29.388 -16.758 1.00 44.30 H new ATOM 0 HG1 THR A 96 14.055 -29.593 -15.555 1.00 44.14 H new ATOM 0 HG21 THR A 96 13.397 -31.453 -16.907 1.00 10.03 H new ATOM 0 HG22 THR A 96 12.586 -31.084 -18.447 1.00 10.03 H new ATOM 0 HG23 THR A 96 14.323 -30.749 -18.254 1.00 10.03 H new ATOM 1495 N ASN A 97 13.544 -26.129 -17.652 1.00 62.24 N ATOM 1496 CA ASN A 97 13.286 -24.790 -17.136 1.00 42.23 C ATOM 1497 C ASN A 97 12.257 -24.064 -17.997 1.00 72.13 C ATOM 1498 O ASN A 97 11.529 -23.197 -17.515 1.00 62.21 O ATOM 1499 CB ASN A 97 14.585 -23.982 -17.084 1.00 55.12 C ATOM 1500 CG ASN A 97 14.550 -22.900 -16.022 1.00 51.24 C ATOM 1501 OD1 ASN A 97 13.957 -21.839 -16.220 1.00 34.40 O ATOM 1502 ND2 ASN A 97 15.188 -23.164 -14.888 1.00 42.41 N ATOM 0 H ASN A 97 14.528 -26.331 -17.827 1.00 62.24 H new ATOM 0 HA ASN A 97 12.885 -24.887 -16.127 1.00 42.23 H new ATOM 0 HB2 ASN A 97 15.420 -24.654 -16.887 1.00 55.12 H new ATOM 0 HB3 ASN A 97 14.766 -23.526 -18.058 1.00 55.12 H new ATOM 0 HD21 ASN A 97 15.200 -22.474 -14.137 1.00 42.41 H new ATOM 0 HD22 ASN A 97 15.666 -24.057 -14.768 1.00 42.41 H new ATOM 1509 N GLY A 98 12.202 -24.426 -19.276 1.00 15.24 N ATOM 1510 CA GLY A 98 11.258 -23.800 -20.184 1.00 20.15 C ATOM 1511 C GLY A 98 11.405 -22.292 -20.224 1.00 4.01 C ATOM 1512 O GLY A 98 10.413 -21.563 -20.198 1.00 64.14 O ATOM 0 H GLY A 98 12.794 -25.141 -19.699 1.00 15.24 H new ATOM 0 HA2 GLY A 98 11.401 -24.203 -21.187 1.00 20.15 H new ATOM 0 HA3 GLY A 98 10.243 -24.055 -19.880 1.00 20.15 H new ATOM 1516 N PHE A 99 12.647 -21.822 -20.286 1.00 12.24 N ATOM 1517 CA PHE A 99 12.921 -20.390 -20.327 1.00 32.13 C ATOM 1518 C PHE A 99 12.694 -19.833 -21.729 1.00 13.10 C ATOM 1519 O PHE A 99 12.399 -18.650 -21.900 1.00 1.34 O ATOM 1520 CB PHE A 99 14.358 -20.111 -19.882 1.00 31.44 C ATOM 1521 CG PHE A 99 14.558 -18.728 -19.333 1.00 11.40 C ATOM 1522 CD1 PHE A 99 14.203 -18.428 -18.028 1.00 1.44 C ATOM 1523 CD2 PHE A 99 15.101 -17.727 -20.122 1.00 41.24 C ATOM 1524 CE1 PHE A 99 14.385 -17.155 -17.521 1.00 3.13 C ATOM 1525 CE2 PHE A 99 15.286 -16.452 -19.621 1.00 21.22 C ATOM 1526 CZ PHE A 99 14.929 -16.166 -18.318 1.00 34.32 C ATOM 0 H PHE A 99 13.479 -22.412 -20.309 1.00 12.24 H new ATOM 0 HA PHE A 99 12.233 -19.894 -19.642 1.00 32.13 H new ATOM 0 HB2 PHE A 99 14.642 -20.839 -19.123 1.00 31.44 H new ATOM 0 HB3 PHE A 99 15.027 -20.257 -20.730 1.00 31.44 H new ATOM 0 HD1 PHE A 99 13.779 -19.197 -17.400 1.00 1.44 H new ATOM 0 HD2 PHE A 99 15.383 -17.946 -21.141 1.00 41.24 H new ATOM 0 HE1 PHE A 99 14.102 -16.934 -16.502 1.00 3.13 H new ATOM 0 HE2 PHE A 99 15.709 -15.681 -20.248 1.00 21.22 H new ATOM 0 HZ PHE A 99 15.075 -15.172 -17.923 1.00 34.32 H new ATOM 1536 N LYS A 100 12.833 -20.694 -22.731 1.00 64.20 N ATOM 1537 CA LYS A 100 12.643 -20.291 -24.119 1.00 44.03 C ATOM 1538 C LYS A 100 11.305 -19.582 -24.302 1.00 21.33 C ATOM 1539 O LYS A 100 11.203 -18.610 -25.049 1.00 61.40 O ATOM 1540 CB LYS A 100 12.717 -21.511 -25.041 1.00 15.42 C ATOM 1541 CG LYS A 100 14.051 -22.234 -24.988 1.00 0.04 C ATOM 1542 CD LYS A 100 14.265 -23.100 -26.217 1.00 60.53 C ATOM 1543 CE LYS A 100 14.745 -22.277 -27.403 1.00 34.02 C ATOM 1544 NZ LYS A 100 15.018 -23.127 -28.595 1.00 32.35 N ATOM 0 H LYS A 100 13.077 -21.677 -22.607 1.00 64.20 H new ATOM 0 HA LYS A 100 13.441 -19.596 -24.382 1.00 44.03 H new ATOM 0 HB2 LYS A 100 11.924 -22.209 -24.771 1.00 15.42 H new ATOM 0 HB3 LYS A 100 12.526 -21.193 -26.066 1.00 15.42 H new ATOM 0 HG2 LYS A 100 14.858 -21.505 -24.910 1.00 0.04 H new ATOM 0 HG3 LYS A 100 14.094 -22.854 -24.093 1.00 0.04 H new ATOM 0 HD2 LYS A 100 14.996 -23.877 -25.993 1.00 60.53 H new ATOM 0 HD3 LYS A 100 13.333 -23.603 -26.475 1.00 60.53 H new ATOM 0 HE2 LYS A 100 13.992 -21.530 -27.655 1.00 34.02 H new ATOM 0 HE3 LYS A 100 15.651 -21.737 -27.127 1.00 34.02 H new ATOM 0 HZ1 LYS A 100 15.343 -22.529 -29.381 1.00 32.35 H new ATOM 0 HZ2 LYS A 100 15.754 -23.824 -28.363 1.00 32.35 H new ATOM 0 HZ3 LYS A 100 14.148 -23.623 -28.874 1.00 32.35 H new ATOM 1558 N GLY A 101 10.280 -20.075 -23.612 1.00 65.23 N ATOM 1559 CA GLY A 101 8.963 -19.476 -23.711 1.00 54.34 C ATOM 1560 C GLY A 101 8.811 -18.259 -22.821 1.00 12.34 C ATOM 1561 O GLY A 101 8.371 -17.200 -23.272 1.00 61.30 O ATOM 0 H GLY A 101 10.339 -20.879 -22.987 1.00 65.23 H new ATOM 0 HA2 GLY A 101 8.774 -19.191 -24.746 1.00 54.34 H new ATOM 0 HA3 GLY A 101 8.210 -20.216 -23.441 1.00 54.34 H new ATOM 1565 N LEU A 102 9.173 -18.408 -21.551 1.00 44.24 N ATOM 1566 CA LEU A 102 9.074 -17.312 -20.593 1.00 71.14 C ATOM 1567 C LEU A 102 9.847 -16.091 -21.081 1.00 15.31 C ATOM 1568 O LEU A 102 9.534 -14.959 -20.713 1.00 0.24 O ATOM 1569 CB LEU A 102 9.603 -17.753 -19.228 1.00 4.14 C ATOM 1570 CG LEU A 102 9.865 -16.636 -18.217 1.00 1.12 C ATOM 1571 CD1 LEU A 102 8.563 -15.954 -17.825 1.00 62.34 C ATOM 1572 CD2 LEU A 102 10.573 -17.185 -16.987 1.00 13.15 C ATOM 0 H LEU A 102 9.538 -19.277 -21.161 1.00 44.24 H new ATOM 0 HA LEU A 102 8.023 -17.039 -20.497 1.00 71.14 H new ATOM 0 HB2 LEU A 102 8.888 -18.450 -18.792 1.00 4.14 H new ATOM 0 HB3 LEU A 102 10.532 -18.303 -19.381 1.00 4.14 H new ATOM 0 HG LEU A 102 10.513 -15.894 -18.684 1.00 1.12 H new ATOM 0 HD11 LEU A 102 8.769 -15.162 -17.105 1.00 62.34 H new ATOM 0 HD12 LEU A 102 8.095 -15.526 -18.712 1.00 62.34 H new ATOM 0 HD13 LEU A 102 7.890 -16.685 -17.377 1.00 62.34 H new ATOM 0 HD21 LEU A 102 10.751 -16.376 -16.278 1.00 13.15 H new ATOM 0 HD22 LEU A 102 9.950 -17.947 -16.519 1.00 13.15 H new ATOM 0 HD23 LEU A 102 11.525 -17.626 -17.282 1.00 13.15 H new ATOM 1584 N MET A 103 10.855 -16.328 -21.913 1.00 62.30 N ATOM 1585 CA MET A 103 11.670 -15.247 -22.454 1.00 2.31 C ATOM 1586 C MET A 103 10.799 -14.203 -23.145 1.00 52.13 C ATOM 1587 O MET A 103 10.913 -13.007 -22.877 1.00 4.24 O ATOM 1588 CB MET A 103 12.702 -15.800 -23.439 1.00 33.21 C ATOM 1589 CG MET A 103 13.646 -14.743 -23.988 1.00 72.01 C ATOM 1590 SD MET A 103 14.852 -14.188 -22.768 1.00 52.42 S ATOM 1591 CE MET A 103 14.043 -12.720 -22.136 1.00 52.12 C ATOM 0 H MET A 103 11.127 -17.259 -22.227 1.00 62.30 H new ATOM 0 HA MET A 103 12.191 -14.769 -21.624 1.00 2.31 H new ATOM 0 HB2 MET A 103 13.286 -16.575 -22.943 1.00 33.21 H new ATOM 0 HB3 MET A 103 12.181 -16.276 -24.269 1.00 33.21 H new ATOM 0 HG2 MET A 103 14.170 -15.145 -24.855 1.00 72.01 H new ATOM 0 HG3 MET A 103 13.066 -13.888 -24.335 1.00 72.01 H new ATOM 0 HE1 MET A 103 14.531 -12.404 -21.214 1.00 52.12 H new ATOM 0 HE2 MET A 103 14.110 -11.921 -22.875 1.00 52.12 H new ATOM 0 HE3 MET A 103 12.995 -12.941 -21.934 1.00 52.12 H new ATOM 1601 N LYS A 104 9.928 -14.663 -24.037 1.00 52.42 N ATOM 1602 CA LYS A 104 9.036 -13.769 -24.767 1.00 72.50 C ATOM 1603 C LYS A 104 7.990 -13.164 -23.836 1.00 25.24 C ATOM 1604 O LYS A 104 7.661 -11.983 -23.942 1.00 14.11 O ATOM 1605 CB LYS A 104 8.345 -14.524 -25.905 1.00 54.22 C ATOM 1606 CG LYS A 104 9.125 -14.508 -27.208 1.00 4.31 C ATOM 1607 CD LYS A 104 10.149 -15.630 -27.258 1.00 40.43 C ATOM 1608 CE LYS A 104 9.490 -16.973 -27.529 1.00 62.44 C ATOM 1609 NZ LYS A 104 8.986 -17.072 -28.927 1.00 62.12 N ATOM 0 H LYS A 104 9.821 -15.650 -24.272 1.00 52.42 H new ATOM 0 HA LYS A 104 9.635 -12.960 -25.186 1.00 72.50 H new ATOM 0 HB2 LYS A 104 8.186 -15.558 -25.599 1.00 54.22 H new ATOM 0 HB3 LYS A 104 7.361 -14.087 -26.075 1.00 54.22 H new ATOM 0 HG2 LYS A 104 8.436 -14.605 -28.047 1.00 4.31 H new ATOM 0 HG3 LYS A 104 9.630 -13.548 -27.319 1.00 4.31 H new ATOM 0 HD2 LYS A 104 10.883 -15.420 -28.036 1.00 40.43 H new ATOM 0 HD3 LYS A 104 10.690 -15.673 -26.313 1.00 40.43 H new ATOM 0 HE2 LYS A 104 10.207 -17.773 -27.344 1.00 62.44 H new ATOM 0 HE3 LYS A 104 8.663 -17.119 -26.834 1.00 62.44 H new ATOM 0 HZ1 LYS A 104 8.778 -18.066 -29.152 1.00 62.12 H new ATOM 0 HZ2 LYS A 104 8.119 -16.507 -29.024 1.00 62.12 H new ATOM 0 HZ3 LYS A 104 9.709 -16.713 -29.583 1.00 62.12 H new ATOM 1623 N ARG A 105 7.474 -13.981 -22.923 1.00 2.42 N ATOM 1624 CA ARG A 105 6.467 -13.525 -21.973 1.00 14.12 C ATOM 1625 C ARG A 105 6.951 -12.291 -21.217 1.00 32.02 C ATOM 1626 O ARG A 105 6.176 -11.375 -20.940 1.00 40.52 O ATOM 1627 CB ARG A 105 6.126 -14.641 -20.984 1.00 31.04 C ATOM 1628 CG ARG A 105 4.914 -15.464 -21.388 1.00 15.22 C ATOM 1629 CD ARG A 105 4.794 -16.728 -20.551 1.00 62.13 C ATOM 1630 NE ARG A 105 3.465 -17.326 -20.650 1.00 25.15 N ATOM 1631 CZ ARG A 105 3.069 -18.360 -19.915 1.00 54.43 C ATOM 1632 NH1 ARG A 105 3.894 -18.906 -19.033 1.00 71.34 N ATOM 1633 NH2 ARG A 105 1.844 -18.848 -20.062 1.00 55.22 N ATOM 0 H ARG A 105 7.737 -14.961 -22.822 1.00 2.42 H new ATOM 0 HA ARG A 105 5.571 -13.258 -22.533 1.00 14.12 H new ATOM 0 HB2 ARG A 105 6.987 -15.302 -20.885 1.00 31.04 H new ATOM 0 HB3 ARG A 105 5.946 -14.202 -20.002 1.00 31.04 H new ATOM 0 HG2 ARG A 105 4.011 -14.864 -21.274 1.00 15.22 H new ATOM 0 HG3 ARG A 105 4.989 -15.730 -22.442 1.00 15.22 H new ATOM 0 HD2 ARG A 105 5.542 -17.451 -20.877 1.00 62.13 H new ATOM 0 HD3 ARG A 105 5.010 -16.494 -19.508 1.00 62.13 H new ATOM 0 HE ARG A 105 2.806 -16.929 -21.319 1.00 25.15 H new ATOM 0 HH11 ARG A 105 4.836 -18.533 -18.917 1.00 71.34 H new ATOM 0 HH12 ARG A 105 3.587 -19.699 -18.471 1.00 71.34 H new ATOM 0 HH21 ARG A 105 1.206 -18.430 -20.739 1.00 55.22 H new ATOM 0 HH22 ARG A 105 1.540 -19.642 -19.498 1.00 55.22 H new ATOM 1647 N THR A 106 8.238 -12.274 -20.884 1.00 71.22 N ATOM 1648 CA THR A 106 8.825 -11.155 -20.159 1.00 44.21 C ATOM 1649 C THR A 106 9.219 -10.030 -21.109 1.00 52.35 C ATOM 1650 O THR A 106 8.897 -8.864 -20.876 1.00 60.12 O ATOM 1651 CB THR A 106 10.067 -11.593 -19.359 1.00 35.10 C ATOM 1652 OG1 THR A 106 11.071 -12.093 -20.248 1.00 62.32 O ATOM 1653 CG2 THR A 106 9.704 -12.664 -18.341 1.00 71.24 C ATOM 0 H THR A 106 8.894 -13.023 -21.105 1.00 71.22 H new ATOM 0 HA THR A 106 8.064 -10.794 -19.467 1.00 44.21 H new ATOM 0 HB THR A 106 10.455 -10.724 -18.827 1.00 35.10 H new ATOM 0 HG1 THR A 106 11.937 -12.107 -19.789 1.00 62.32 H new ATOM 0 HG21 THR A 106 10.596 -12.958 -17.788 1.00 71.24 H new ATOM 0 HG22 THR A 106 8.961 -12.270 -17.648 1.00 71.24 H new ATOM 0 HG23 THR A 106 9.295 -13.532 -18.857 1.00 71.24 H new ATOM 1661 N THR A 107 9.917 -10.385 -22.184 1.00 32.43 N ATOM 1662 CA THR A 107 10.355 -9.406 -23.170 1.00 15.53 C ATOM 1663 C THR A 107 9.189 -8.547 -23.647 1.00 12.14 C ATOM 1664 O THR A 107 9.343 -7.349 -23.886 1.00 23.11 O ATOM 1665 CB THR A 107 11.007 -10.087 -24.387 1.00 44.32 C ATOM 1666 OG1 THR A 107 12.135 -10.864 -23.968 1.00 11.52 O ATOM 1667 CG2 THR A 107 11.450 -9.054 -25.412 1.00 50.35 C ATOM 0 H THR A 107 10.191 -11.345 -22.393 1.00 32.43 H new ATOM 0 HA THR A 107 11.093 -8.772 -22.679 1.00 15.53 H new ATOM 0 HB THR A 107 10.267 -10.741 -24.849 1.00 44.32 H new ATOM 0 HG1 THR A 107 11.849 -11.782 -23.782 1.00 11.52 H new ATOM 0 HG21 THR A 107 11.908 -9.559 -26.263 1.00 50.35 H new ATOM 0 HG22 THR A 107 10.585 -8.484 -25.751 1.00 50.35 H new ATOM 0 HG23 THR A 107 12.175 -8.379 -24.958 1.00 50.35 H new ATOM 1675 N LYS A 108 8.021 -9.166 -23.783 1.00 10.14 N ATOM 1676 CA LYS A 108 6.827 -8.458 -24.229 1.00 71.32 C ATOM 1677 C LYS A 108 6.589 -7.208 -23.388 1.00 72.14 C ATOM 1678 O LYS A 108 6.277 -6.141 -23.919 1.00 34.04 O ATOM 1679 CB LYS A 108 5.606 -9.378 -24.153 1.00 13.55 C ATOM 1680 CG LYS A 108 4.419 -8.881 -24.961 1.00 23.52 C ATOM 1681 CD LYS A 108 4.546 -9.260 -26.427 1.00 32.31 C ATOM 1682 CE LYS A 108 3.907 -10.611 -26.711 1.00 22.24 C ATOM 1683 NZ LYS A 108 2.420 -10.531 -26.720 1.00 43.23 N ATOM 0 H LYS A 108 7.876 -10.157 -23.591 1.00 10.14 H new ATOM 0 HA LYS A 108 6.981 -8.153 -25.264 1.00 71.32 H new ATOM 0 HB2 LYS A 108 5.886 -10.370 -24.507 1.00 13.55 H new ATOM 0 HB3 LYS A 108 5.306 -9.485 -23.110 1.00 13.55 H new ATOM 0 HG2 LYS A 108 3.499 -9.301 -24.554 1.00 23.52 H new ATOM 0 HG3 LYS A 108 4.343 -7.798 -24.869 1.00 23.52 H new ATOM 0 HD2 LYS A 108 4.073 -8.496 -27.044 1.00 32.31 H new ATOM 0 HD3 LYS A 108 5.599 -9.288 -26.707 1.00 32.31 H new ATOM 0 HE2 LYS A 108 4.256 -10.983 -27.674 1.00 22.24 H new ATOM 0 HE3 LYS A 108 4.227 -11.330 -25.957 1.00 22.24 H new ATOM 0 HZ1 LYS A 108 2.028 -11.404 -27.128 1.00 43.23 H new ATOM 0 HZ2 LYS A 108 2.073 -10.418 -25.746 1.00 43.23 H new ATOM 0 HZ3 LYS A 108 2.120 -9.716 -27.292 1.00 43.23 H new ATOM 1697 N LEU A 109 6.739 -7.346 -22.076 1.00 23.12 N ATOM 1698 CA LEU A 109 6.542 -6.227 -21.161 1.00 42.22 C ATOM 1699 C LEU A 109 7.736 -5.278 -21.196 1.00 60.14 C ATOM 1700 O LEU A 109 7.593 -4.074 -20.979 1.00 33.24 O ATOM 1701 CB LEU A 109 6.325 -6.739 -19.736 1.00 63.12 C ATOM 1702 CG LEU A 109 4.878 -7.036 -19.343 1.00 12.33 C ATOM 1703 CD1 LEU A 109 4.817 -7.647 -17.951 1.00 43.43 C ATOM 1704 CD2 LEU A 109 4.037 -5.769 -19.408 1.00 40.00 C ATOM 0 H LEU A 109 6.997 -8.222 -21.621 1.00 23.12 H new ATOM 0 HA LEU A 109 5.656 -5.679 -21.482 1.00 42.22 H new ATOM 0 HB2 LEU A 109 6.910 -7.649 -19.605 1.00 63.12 H new ATOM 0 HB3 LEU A 109 6.725 -6.001 -19.041 1.00 63.12 H new ATOM 0 HG LEU A 109 4.470 -7.756 -20.052 1.00 12.33 H new ATOM 0 HD11 LEU A 109 3.779 -7.852 -17.689 1.00 43.43 H new ATOM 0 HD12 LEU A 109 5.385 -8.577 -17.937 1.00 43.43 H new ATOM 0 HD13 LEU A 109 5.243 -6.951 -17.229 1.00 43.43 H new ATOM 0 HD21 LEU A 109 3.010 -5.999 -19.125 1.00 40.00 H new ATOM 0 HD22 LEU A 109 4.444 -5.026 -18.722 1.00 40.00 H new ATOM 0 HD23 LEU A 109 4.054 -5.373 -20.423 1.00 40.00 H new ATOM 1716 N LEU A 110 8.913 -5.827 -21.474 1.00 24.20 N ATOM 1717 CA LEU A 110 10.133 -5.030 -21.541 1.00 10.55 C ATOM 1718 C LEU A 110 10.031 -3.969 -22.632 1.00 1.11 C ATOM 1719 O LEU A 110 10.700 -2.937 -22.574 1.00 52.34 O ATOM 1720 CB LEU A 110 11.342 -5.931 -21.800 1.00 54.53 C ATOM 1721 CG LEU A 110 11.756 -6.846 -20.648 1.00 22.10 C ATOM 1722 CD1 LEU A 110 12.982 -7.662 -21.029 1.00 10.22 C ATOM 1723 CD2 LEU A 110 12.024 -6.032 -19.390 1.00 65.43 C ATOM 0 H LEU A 110 9.049 -6.821 -21.657 1.00 24.20 H new ATOM 0 HA LEU A 110 10.262 -4.527 -20.582 1.00 10.55 H new ATOM 0 HB2 LEU A 110 11.128 -6.551 -22.671 1.00 54.53 H new ATOM 0 HB3 LEU A 110 12.192 -5.299 -22.059 1.00 54.53 H new ATOM 0 HG LEU A 110 10.936 -7.534 -20.443 1.00 22.10 H new ATOM 0 HD11 LEU A 110 13.262 -8.308 -20.197 1.00 10.22 H new ATOM 0 HD12 LEU A 110 12.755 -8.274 -21.902 1.00 10.22 H new ATOM 0 HD13 LEU A 110 13.808 -6.990 -21.261 1.00 10.22 H new ATOM 0 HD21 LEU A 110 12.318 -6.700 -18.580 1.00 65.43 H new ATOM 0 HD22 LEU A 110 12.826 -5.320 -19.582 1.00 65.43 H new ATOM 0 HD23 LEU A 110 11.120 -5.493 -19.106 1.00 65.43 H new ATOM 1735 N LYS A 111 9.188 -4.229 -23.626 1.00 23.04 N ATOM 1736 CA LYS A 111 8.995 -3.296 -24.729 1.00 72.24 C ATOM 1737 C LYS A 111 8.547 -1.931 -24.216 1.00 75.53 C ATOM 1738 O LYS A 111 8.708 -0.917 -24.895 1.00 62.34 O ATOM 1739 CB LYS A 111 7.961 -3.847 -25.715 1.00 24.04 C ATOM 1740 CG LYS A 111 8.574 -4.625 -26.866 1.00 75.34 C ATOM 1741 CD LYS A 111 8.978 -6.026 -26.440 1.00 70.51 C ATOM 1742 CE LYS A 111 9.034 -6.976 -27.627 1.00 35.00 C ATOM 1743 NZ LYS A 111 10.140 -6.631 -28.562 1.00 22.22 N ATOM 0 H LYS A 111 8.627 -5.079 -23.690 1.00 23.04 H new ATOM 0 HA LYS A 111 9.949 -3.176 -25.242 1.00 72.24 H new ATOM 0 HB2 LYS A 111 7.268 -4.495 -25.178 1.00 24.04 H new ATOM 0 HB3 LYS A 111 7.377 -3.019 -26.117 1.00 24.04 H new ATOM 0 HG2 LYS A 111 7.859 -4.685 -27.687 1.00 75.34 H new ATOM 0 HG3 LYS A 111 9.447 -4.092 -27.242 1.00 75.34 H new ATOM 0 HD2 LYS A 111 9.953 -5.992 -25.953 1.00 70.51 H new ATOM 0 HD3 LYS A 111 8.267 -6.403 -25.704 1.00 70.51 H new ATOM 0 HE2 LYS A 111 9.166 -7.997 -27.269 1.00 35.00 H new ATOM 0 HE3 LYS A 111 8.084 -6.946 -28.161 1.00 35.00 H new ATOM 0 HZ1 LYS A 111 10.144 -7.301 -29.357 1.00 22.22 H new ATOM 0 HZ2 LYS A 111 10.001 -5.666 -28.924 1.00 22.22 H new ATOM 0 HZ3 LYS A 111 11.049 -6.684 -28.059 1.00 22.22 H new ATOM 1757 N LYS A 112 7.984 -1.913 -23.013 1.00 13.32 N ATOM 1758 CA LYS A 112 7.514 -0.673 -22.406 1.00 43.44 C ATOM 1759 C LYS A 112 8.646 0.033 -21.666 1.00 13.31 C ATOM 1760 O LYS A 112 8.668 1.260 -21.570 1.00 40.44 O ATOM 1761 CB LYS A 112 6.360 -0.957 -21.443 1.00 55.12 C ATOM 1762 CG LYS A 112 5.082 -1.394 -22.138 1.00 74.10 C ATOM 1763 CD LYS A 112 4.273 -2.345 -21.272 1.00 21.24 C ATOM 1764 CE LYS A 112 2.790 -2.274 -21.600 1.00 53.02 C ATOM 1765 NZ LYS A 112 2.105 -1.191 -20.841 1.00 71.13 N ATOM 0 H LYS A 112 7.842 -2.744 -22.438 1.00 13.32 H new ATOM 0 HA LYS A 112 7.160 -0.019 -23.203 1.00 43.44 H new ATOM 0 HB2 LYS A 112 6.666 -1.733 -20.741 1.00 55.12 H new ATOM 0 HB3 LYS A 112 6.157 -0.060 -20.858 1.00 55.12 H new ATOM 0 HG2 LYS A 112 4.480 -0.518 -22.378 1.00 74.10 H new ATOM 0 HG3 LYS A 112 5.328 -1.880 -23.082 1.00 74.10 H new ATOM 0 HD2 LYS A 112 4.630 -3.364 -21.418 1.00 21.24 H new ATOM 0 HD3 LYS A 112 4.426 -2.101 -20.221 1.00 21.24 H new ATOM 0 HE2 LYS A 112 2.662 -2.105 -22.669 1.00 53.02 H new ATOM 0 HE3 LYS A 112 2.321 -3.231 -21.370 1.00 53.02 H new ATOM 0 HZ1 LYS A 112 1.075 -1.311 -20.918 1.00 71.13 H new ATOM 0 HZ2 LYS A 112 2.385 -1.238 -19.841 1.00 71.13 H new ATOM 0 HZ3 LYS A 112 2.376 -0.267 -21.234 1.00 71.13 H new ATOM 1779 N VAL A 113 9.585 -0.750 -21.144 1.00 52.23 N ATOM 1780 CA VAL A 113 10.721 -0.199 -20.415 1.00 32.42 C ATOM 1781 C VAL A 113 11.789 0.318 -21.371 1.00 4.10 C ATOM 1782 O VAL A 113 12.525 1.252 -21.051 1.00 13.22 O ATOM 1783 CB VAL A 113 11.349 -1.250 -19.480 1.00 3.54 C ATOM 1784 CG1 VAL A 113 12.552 -0.666 -18.753 1.00 35.21 C ATOM 1785 CG2 VAL A 113 10.317 -1.767 -18.489 1.00 53.35 C ATOM 0 H VAL A 113 9.581 -1.768 -21.212 1.00 52.23 H new ATOM 0 HA VAL A 113 10.342 0.630 -19.817 1.00 32.42 H new ATOM 0 HB VAL A 113 11.691 -2.090 -20.084 1.00 3.54 H new ATOM 0 HG11 VAL A 113 12.983 -1.422 -18.097 1.00 35.21 H new ATOM 0 HG12 VAL A 113 13.299 -0.349 -19.481 1.00 35.21 H new ATOM 0 HG13 VAL A 113 12.237 0.192 -18.159 1.00 35.21 H new ATOM 0 HG21 VAL A 113 10.778 -2.508 -17.837 1.00 53.35 H new ATOM 0 HG22 VAL A 113 9.942 -0.938 -17.888 1.00 53.35 H new ATOM 0 HG23 VAL A 113 9.490 -2.225 -19.031 1.00 53.35 H new ATOM 1795 N VAL A 114 11.870 -0.295 -22.548 1.00 11.13 N ATOM 1796 CA VAL A 114 12.848 0.105 -23.553 1.00 32.44 C ATOM 1797 C VAL A 114 12.683 1.573 -23.927 1.00 14.22 C ATOM 1798 O VAL A 114 13.631 2.223 -24.367 1.00 62.22 O ATOM 1799 CB VAL A 114 12.728 -0.755 -24.825 1.00 50.32 C ATOM 1800 CG1 VAL A 114 12.760 -2.235 -24.475 1.00 41.34 C ATOM 1801 CG2 VAL A 114 11.458 -0.406 -25.586 1.00 15.44 C ATOM 0 H VAL A 114 11.270 -1.071 -22.829 1.00 11.13 H new ATOM 0 HA VAL A 114 13.834 -0.045 -23.113 1.00 32.44 H new ATOM 0 HB VAL A 114 13.581 -0.540 -25.469 1.00 50.32 H new ATOM 0 HG11 VAL A 114 12.674 -2.826 -25.387 1.00 41.34 H new ATOM 0 HG12 VAL A 114 13.700 -2.471 -23.977 1.00 41.34 H new ATOM 0 HG13 VAL A 114 11.929 -2.470 -23.810 1.00 41.34 H new ATOM 0 HG21 VAL A 114 11.389 -1.023 -26.482 1.00 15.44 H new ATOM 0 HG22 VAL A 114 10.591 -0.590 -24.951 1.00 15.44 H new ATOM 0 HG23 VAL A 114 11.482 0.646 -25.871 1.00 15.44 H new ATOM 1811 N ASP A 115 11.472 2.091 -23.748 1.00 62.23 N ATOM 1812 CA ASP A 115 11.182 3.484 -24.066 1.00 1.34 C ATOM 1813 C ASP A 115 11.786 4.417 -23.020 1.00 61.23 C ATOM 1814 O ASP A 115 11.841 5.632 -23.213 1.00 75.43 O ATOM 1815 CB ASP A 115 9.671 3.706 -24.153 1.00 23.13 C ATOM 1816 CG ASP A 115 9.313 4.949 -24.943 1.00 61.02 C ATOM 1817 OD1 ASP A 115 9.469 6.063 -24.401 1.00 4.14 O ATOM 1818 OD2 ASP A 115 8.877 4.808 -26.105 1.00 23.23 O ATOM 0 H ASP A 115 10.676 1.567 -23.384 1.00 62.23 H new ATOM 0 HA ASP A 115 11.631 3.711 -25.033 1.00 1.34 H new ATOM 0 HB2 ASP A 115 9.205 2.837 -24.618 1.00 23.13 H new ATOM 0 HB3 ASP A 115 9.260 3.788 -23.147 1.00 23.13 H new ATOM 1823 N LYS A 116 12.238 3.841 -21.912 1.00 21.34 N ATOM 1824 CA LYS A 116 12.839 4.619 -20.835 1.00 35.35 C ATOM 1825 C LYS A 116 14.357 4.659 -20.974 1.00 10.13 C ATOM 1826 O LYS A 116 14.955 5.733 -21.047 1.00 24.01 O ATOM 1827 CB LYS A 116 12.456 4.027 -19.476 1.00 12.41 C ATOM 1828 CG LYS A 116 11.404 4.836 -18.735 1.00 64.52 C ATOM 1829 CD LYS A 116 10.011 4.573 -19.282 1.00 64.53 C ATOM 1830 CE LYS A 116 8.961 4.629 -18.183 1.00 63.54 C ATOM 1831 NZ LYS A 116 8.877 3.346 -17.431 1.00 4.45 N ATOM 0 H LYS A 116 12.200 2.837 -21.736 1.00 21.34 H new ATOM 0 HA LYS A 116 12.459 5.638 -20.901 1.00 35.35 H new ATOM 0 HB2 LYS A 116 12.086 3.012 -19.622 1.00 12.41 H new ATOM 0 HB3 LYS A 116 13.350 3.954 -18.856 1.00 12.41 H new ATOM 0 HG2 LYS A 116 11.432 4.587 -17.674 1.00 64.52 H new ATOM 0 HG3 LYS A 116 11.634 5.898 -18.819 1.00 64.52 H new ATOM 0 HD2 LYS A 116 9.775 5.310 -20.050 1.00 64.53 H new ATOM 0 HD3 LYS A 116 9.986 3.594 -19.761 1.00 64.53 H new ATOM 0 HE2 LYS A 116 9.199 5.439 -17.494 1.00 63.54 H new ATOM 0 HE3 LYS A 116 7.989 4.858 -18.620 1.00 63.54 H new ATOM 0 HZ1 LYS A 116 7.883 3.049 -17.361 1.00 4.45 H new ATOM 0 HZ2 LYS A 116 9.422 2.615 -17.930 1.00 4.45 H new ATOM 0 HZ3 LYS A 116 9.267 3.477 -16.476 1.00 4.45 H new ATOM 1845 N HIS A 117 14.975 3.483 -21.011 1.00 31.20 N ATOM 1846 CA HIS A 117 16.424 3.384 -21.144 1.00 1.32 C ATOM 1847 C HIS A 117 16.802 2.531 -22.351 1.00 23.25 C ATOM 1848 O HIS A 117 17.886 2.681 -22.914 1.00 75.43 O ATOM 1849 CB HIS A 117 17.035 2.791 -19.874 1.00 14.44 C ATOM 1850 CG HIS A 117 16.509 3.406 -18.613 1.00 45.50 C ATOM 1851 ND1 HIS A 117 17.019 4.569 -18.074 1.00 32.11 N ATOM 1852 CD2 HIS A 117 15.513 3.015 -17.785 1.00 74.23 C ATOM 1853 CE1 HIS A 117 16.359 4.865 -16.968 1.00 62.31 C ATOM 1854 NE2 HIS A 117 15.439 3.937 -16.771 1.00 4.51 N ATOM 0 H HIS A 117 14.495 2.585 -20.951 1.00 31.20 H new ATOM 0 HA HIS A 117 16.820 4.389 -21.293 1.00 1.32 H new ATOM 0 HB2 HIS A 117 16.841 1.719 -19.854 1.00 14.44 H new ATOM 0 HB3 HIS A 117 18.117 2.919 -19.907 1.00 14.44 H new ATOM 0 HD2 HIS A 117 14.891 2.139 -17.901 1.00 74.23 H new ATOM 0 HE1 HIS A 117 16.541 5.720 -16.333 1.00 62.31 H new ATOM 0 HE2 HIS A 117 14.781 3.910 -15.992 1.00 4.51 H new ATOM 1862 N GLY A 118 15.901 1.634 -22.741 1.00 45.22 N ATOM 1863 CA GLY A 118 16.160 0.770 -23.878 1.00 31.43 C ATOM 1864 C GLY A 118 16.533 -0.639 -23.461 1.00 71.44 C ATOM 1865 O GLY A 118 17.364 -1.283 -24.102 1.00 24.31 O ATOM 0 H GLY A 118 14.997 1.490 -22.290 1.00 45.22 H new ATOM 0 HA2 GLY A 118 15.275 0.736 -24.513 1.00 31.43 H new ATOM 0 HA3 GLY A 118 16.966 1.194 -24.477 1.00 31.43 H new ATOM 1869 N ILE A 119 15.918 -1.119 -22.385 1.00 44.23 N ATOM 1870 CA ILE A 119 16.191 -2.460 -21.884 1.00 63.25 C ATOM 1871 C ILE A 119 16.071 -3.497 -22.996 1.00 73.20 C ATOM 1872 O ILE A 119 14.972 -3.797 -23.462 1.00 61.50 O ATOM 1873 CB ILE A 119 15.234 -2.839 -20.739 1.00 5.24 C ATOM 1874 CG1 ILE A 119 15.406 -1.876 -19.562 1.00 42.53 C ATOM 1875 CG2 ILE A 119 15.480 -4.273 -20.296 1.00 21.43 C ATOM 1876 CD1 ILE A 119 16.801 -1.880 -18.977 1.00 11.53 C ATOM 0 H ILE A 119 15.227 -0.599 -21.844 1.00 44.23 H new ATOM 0 HA ILE A 119 17.213 -2.453 -21.505 1.00 63.25 H new ATOM 0 HB ILE A 119 14.209 -2.762 -21.101 1.00 5.24 H new ATOM 0 HG12 ILE A 119 15.162 -0.866 -19.891 1.00 42.53 H new ATOM 0 HG13 ILE A 119 14.692 -2.139 -18.781 1.00 42.53 H new ATOM 0 HG21 ILE A 119 14.796 -4.526 -19.486 1.00 21.43 H new ATOM 0 HG22 ILE A 119 15.313 -4.947 -21.136 1.00 21.43 H new ATOM 0 HG23 ILE A 119 16.508 -4.375 -19.948 1.00 21.43 H new ATOM 0 HD11 ILE A 119 16.850 -1.175 -18.147 1.00 11.53 H new ATOM 0 HD12 ILE A 119 17.042 -2.880 -18.617 1.00 11.53 H new ATOM 0 HD13 ILE A 119 17.518 -1.588 -19.744 1.00 11.53 H new ATOM 1888 N ALA A 120 17.208 -4.042 -23.415 1.00 70.32 N ATOM 1889 CA ALA A 120 17.230 -5.049 -24.469 1.00 52.22 C ATOM 1890 C ALA A 120 17.576 -6.424 -23.908 1.00 55.11 C ATOM 1891 O ALA A 120 18.674 -6.636 -23.393 1.00 61.52 O ATOM 1892 CB ALA A 120 18.221 -4.655 -25.555 1.00 33.14 C ATOM 0 H ALA A 120 18.126 -3.803 -23.041 1.00 70.32 H new ATOM 0 HA ALA A 120 16.233 -5.104 -24.905 1.00 52.22 H new ATOM 0 HB1 ALA A 120 18.227 -5.416 -26.335 1.00 33.14 H new ATOM 0 HB2 ALA A 120 17.928 -3.697 -25.984 1.00 33.14 H new ATOM 0 HB3 ALA A 120 19.218 -4.570 -25.124 1.00 33.14 H new