USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= -0.464 K(o=-0.62,f=-5.5!) USER MOD Set 1.2: A 51 TYR OH : rot -35:sc= 0.791 USER MOD Set 1.3: A 58 SER OG : rot -105:sc= -0.952 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0703 (180deg=-0.223) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0863) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0399 (180deg=-0.363) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -80:sc= 1.12 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= -1.53 (180deg=-4.17!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 25 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.048) USER MOD Single : A 28 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.0042) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.75 X(o=-1.8,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.072) USER MOD Single : A 47 SER OG : rot -150:sc= 0.178 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc=-0.00723 (180deg=-0.18) USER MOD Single : A 54 ASN : amide:sc= -2.14 K(o=-2.1,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.43! C(o=-2.4!,f=-8.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.701) USER MOD Single : A 81 HIS : no HD1:sc= -0.0955 X(o=-0.096,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.725 -0.975 5.412 1.00 32.10 N ATOM 2 CA GLY A 1 -2.894 -0.228 4.486 1.00 22.22 C ATOM 3 C GLY A 1 -2.628 -0.989 3.203 1.00 64.24 C ATOM 4 O GLY A 1 -2.271 -0.397 2.184 1.00 15.42 O ATOM 0 H1 GLY A 1 -3.990 -0.364 6.211 1.00 32.10 H new ATOM 0 H2 GLY A 1 -4.584 -1.299 4.924 1.00 32.10 H new ATOM 0 H3 GLY A 1 -3.197 -1.798 5.766 1.00 32.10 H new ATOM 0 HA2 GLY A 1 -3.380 0.719 4.249 1.00 22.22 H new ATOM 0 HA3 GLY A 1 -1.945 0.012 4.966 1.00 22.22 H new ATOM 8 N SER A 2 -2.799 -2.306 3.251 1.00 22.40 N ATOM 9 CA SER A 2 -2.569 -3.150 2.084 1.00 32.53 C ATOM 10 C SER A 2 -3.760 -4.071 1.837 1.00 74.11 C ATOM 11 O SER A 2 -4.675 -4.153 2.655 1.00 75.31 O ATOM 12 CB SER A 2 -1.298 -3.981 2.272 1.00 73.33 C ATOM 13 OG SER A 2 -0.251 -3.196 2.814 1.00 10.05 O ATOM 0 H SER A 2 -3.096 -2.812 4.085 1.00 22.40 H new ATOM 0 HA SER A 2 -2.446 -2.502 1.216 1.00 32.53 H new ATOM 0 HB2 SER A 2 -1.505 -4.823 2.933 1.00 73.33 H new ATOM 0 HB3 SER A 2 -0.986 -4.397 1.314 1.00 73.33 H new ATOM 0 HG SER A 2 0.549 -3.750 2.926 1.00 10.05 H new ATOM 19 N ASN A 3 -3.740 -4.762 0.702 1.00 74.22 N ATOM 20 CA ASN A 3 -4.819 -5.677 0.345 1.00 65.12 C ATOM 21 C ASN A 3 -4.314 -6.774 -0.588 1.00 35.55 C ATOM 22 O ASN A 3 -3.687 -6.495 -1.608 1.00 51.24 O ATOM 23 CB ASN A 3 -5.964 -4.913 -0.321 1.00 54.14 C ATOM 24 CG ASN A 3 -6.660 -3.964 0.636 1.00 73.43 C ATOM 25 OD1 ASN A 3 -7.265 -4.391 1.619 1.00 12.35 O ATOM 26 ND2 ASN A 3 -6.577 -2.670 0.350 1.00 34.15 N ATOM 0 H ASN A 3 -2.989 -4.706 0.014 1.00 74.22 H new ATOM 0 HA ASN A 3 -5.186 -6.142 1.260 1.00 65.12 H new ATOM 0 HB2 ASN A 3 -5.576 -4.349 -1.169 1.00 54.14 H new ATOM 0 HB3 ASN A 3 -6.690 -5.624 -0.716 1.00 54.14 H new ATOM 0 HD21 ASN A 3 -7.026 -1.984 0.957 1.00 34.15 H new ATOM 0 HD22 ASN A 3 -6.064 -2.362 -0.476 1.00 34.15 H new ATOM 33 N GLU A 4 -4.595 -8.023 -0.228 1.00 65.55 N ATOM 34 CA GLU A 4 -4.169 -9.163 -1.033 1.00 50.43 C ATOM 35 C GLU A 4 -5.351 -9.770 -1.784 1.00 44.22 C ATOM 36 O GLU A 4 -6.184 -10.462 -1.199 1.00 0.31 O ATOM 37 CB GLU A 4 -3.513 -10.224 -0.148 1.00 33.31 C ATOM 38 CG GLU A 4 -3.054 -11.455 -0.912 1.00 34.12 C ATOM 39 CD GLU A 4 -2.053 -11.125 -2.002 1.00 32.41 C ATOM 40 OE1 GLU A 4 -0.847 -11.034 -1.691 1.00 11.13 O ATOM 41 OE2 GLU A 4 -2.475 -10.959 -3.165 1.00 51.12 O ATOM 0 H GLU A 4 -5.115 -8.271 0.614 1.00 65.55 H new ATOM 0 HA GLU A 4 -3.441 -8.809 -1.762 1.00 50.43 H new ATOM 0 HB2 GLU A 4 -2.656 -9.782 0.360 1.00 33.31 H new ATOM 0 HB3 GLU A 4 -4.220 -10.528 0.624 1.00 33.31 H new ATOM 0 HG2 GLU A 4 -2.607 -12.164 -0.216 1.00 34.12 H new ATOM 0 HG3 GLU A 4 -3.920 -11.947 -1.356 1.00 34.12 H new ATOM 48 N LYS A 5 -5.416 -9.505 -3.085 1.00 34.33 N ATOM 49 CA LYS A 5 -6.494 -10.025 -3.918 1.00 51.10 C ATOM 50 C LYS A 5 -5.952 -10.986 -4.972 1.00 13.43 C ATOM 51 O LYS A 5 -5.484 -10.579 -6.035 1.00 50.21 O ATOM 52 CB LYS A 5 -7.241 -8.875 -4.597 1.00 52.21 C ATOM 53 CG LYS A 5 -6.323 -7.834 -5.214 1.00 54.32 C ATOM 54 CD LYS A 5 -5.994 -6.726 -4.228 1.00 22.04 C ATOM 55 CE LYS A 5 -5.735 -5.406 -4.938 1.00 22.14 C ATOM 56 NZ LYS A 5 -5.963 -4.240 -4.040 1.00 43.44 N ATOM 0 H LYS A 5 -4.735 -8.933 -3.585 1.00 34.33 H new ATOM 0 HA LYS A 5 -7.185 -10.570 -3.276 1.00 51.10 H new ATOM 0 HB2 LYS A 5 -7.889 -9.282 -5.373 1.00 52.21 H new ATOM 0 HB3 LYS A 5 -7.887 -8.390 -3.865 1.00 52.21 H new ATOM 0 HG2 LYS A 5 -5.401 -8.312 -5.547 1.00 54.32 H new ATOM 0 HG3 LYS A 5 -6.798 -7.407 -6.097 1.00 54.32 H new ATOM 0 HD2 LYS A 5 -6.819 -6.606 -3.525 1.00 22.04 H new ATOM 0 HD3 LYS A 5 -5.116 -7.005 -3.645 1.00 22.04 H new ATOM 0 HE2 LYS A 5 -4.709 -5.386 -5.306 1.00 22.14 H new ATOM 0 HE3 LYS A 5 -6.387 -5.327 -5.808 1.00 22.14 H new ATOM 0 HZ1 LYS A 5 -5.926 -3.362 -4.595 1.00 43.44 H new ATOM 0 HZ2 LYS A 5 -6.897 -4.326 -3.590 1.00 43.44 H new ATOM 0 HZ3 LYS A 5 -5.226 -4.217 -3.307 1.00 43.44 H new ATOM 70 N PRO A 6 -6.018 -12.292 -4.673 1.00 3.55 N ATOM 71 CA PRO A 6 -5.540 -13.337 -5.582 1.00 51.14 C ATOM 72 C PRO A 6 -6.421 -13.476 -6.819 1.00 51.23 C ATOM 73 O PRO A 6 -7.508 -12.902 -6.888 1.00 12.02 O ATOM 74 CB PRO A 6 -5.610 -14.607 -4.731 1.00 65.10 C ATOM 75 CG PRO A 6 -6.655 -14.322 -3.709 1.00 54.53 C ATOM 76 CD PRO A 6 -6.564 -12.848 -3.423 1.00 65.13 C ATOM 0 HA PRO A 6 -4.543 -13.119 -5.965 1.00 51.14 H new ATOM 0 HB2 PRO A 6 -5.874 -15.475 -5.336 1.00 65.10 H new ATOM 0 HB3 PRO A 6 -4.649 -14.824 -4.265 1.00 65.10 H new ATOM 0 HG2 PRO A 6 -7.645 -14.587 -4.079 1.00 54.53 H new ATOM 0 HG3 PRO A 6 -6.486 -14.906 -2.804 1.00 54.53 H new ATOM 0 HD2 PRO A 6 -7.540 -12.423 -3.187 1.00 65.13 H new ATOM 0 HD3 PRO A 6 -5.913 -12.643 -2.573 1.00 65.13 H new ATOM 84 N LYS A 7 -5.946 -14.242 -7.795 1.00 42.35 N ATOM 85 CA LYS A 7 -6.691 -14.458 -9.030 1.00 64.32 C ATOM 86 C LYS A 7 -6.995 -15.940 -9.229 1.00 52.41 C ATOM 87 O LYS A 7 -6.094 -16.741 -9.477 1.00 74.04 O ATOM 88 CB LYS A 7 -5.900 -13.924 -10.227 1.00 15.01 C ATOM 89 CG LYS A 7 -5.548 -12.451 -10.115 1.00 14.34 C ATOM 90 CD LYS A 7 -4.287 -12.118 -10.894 1.00 11.23 C ATOM 91 CE LYS A 7 -3.043 -12.637 -10.189 1.00 12.01 C ATOM 92 NZ LYS A 7 -1.879 -12.726 -11.113 1.00 23.12 N ATOM 0 H LYS A 7 -5.048 -14.724 -7.755 1.00 42.35 H new ATOM 0 HA LYS A 7 -7.635 -13.918 -8.955 1.00 64.32 H new ATOM 0 HB2 LYS A 7 -4.981 -14.501 -10.332 1.00 15.01 H new ATOM 0 HB3 LYS A 7 -6.481 -14.082 -11.136 1.00 15.01 H new ATOM 0 HG2 LYS A 7 -6.377 -11.849 -10.488 1.00 14.34 H new ATOM 0 HG3 LYS A 7 -5.409 -12.188 -9.066 1.00 14.34 H new ATOM 0 HD2 LYS A 7 -4.349 -12.552 -11.892 1.00 11.23 H new ATOM 0 HD3 LYS A 7 -4.211 -11.038 -11.021 1.00 11.23 H new ATOM 0 HE2 LYS A 7 -2.796 -11.979 -9.356 1.00 12.01 H new ATOM 0 HE3 LYS A 7 -3.248 -13.621 -9.767 1.00 12.01 H new ATOM 0 HZ1 LYS A 7 -1.051 -13.084 -10.595 1.00 23.12 H new ATOM 0 HZ2 LYS A 7 -2.105 -13.374 -11.894 1.00 23.12 H new ATOM 0 HZ3 LYS A 7 -1.667 -11.783 -11.496 1.00 23.12 H new ATOM 106 N VAL A 8 -8.271 -16.297 -9.120 1.00 10.41 N ATOM 107 CA VAL A 8 -8.695 -17.681 -9.290 1.00 64.35 C ATOM 108 C VAL A 8 -9.943 -17.771 -10.161 1.00 12.23 C ATOM 109 O VAL A 8 -10.751 -16.842 -10.205 1.00 64.42 O ATOM 110 CB VAL A 8 -8.979 -18.352 -7.934 1.00 22.54 C ATOM 111 CG1 VAL A 8 -10.198 -17.727 -7.273 1.00 41.11 C ATOM 112 CG2 VAL A 8 -9.168 -19.851 -8.110 1.00 74.45 C ATOM 0 H VAL A 8 -9.029 -15.646 -8.915 1.00 10.41 H new ATOM 0 HA VAL A 8 -7.875 -18.205 -9.781 1.00 64.35 H new ATOM 0 HB VAL A 8 -8.120 -18.191 -7.283 1.00 22.54 H new ATOM 0 HG11 VAL A 8 -10.383 -18.214 -6.316 1.00 41.11 H new ATOM 0 HG12 VAL A 8 -10.019 -16.664 -7.110 1.00 41.11 H new ATOM 0 HG13 VAL A 8 -11.067 -17.854 -7.919 1.00 41.11 H new ATOM 0 HG21 VAL A 8 -9.368 -20.309 -7.141 1.00 74.45 H new ATOM 0 HG22 VAL A 8 -10.009 -20.036 -8.779 1.00 74.45 H new ATOM 0 HG23 VAL A 8 -8.263 -20.284 -8.536 1.00 74.45 H new ATOM 122 N LYS A 9 -10.096 -18.895 -10.852 1.00 74.10 N ATOM 123 CA LYS A 9 -11.248 -19.109 -11.721 1.00 4.31 C ATOM 124 C LYS A 9 -12.552 -18.928 -10.950 1.00 63.25 C ATOM 125 O LYS A 9 -13.536 -18.417 -11.486 1.00 23.42 O ATOM 126 CB LYS A 9 -11.196 -20.509 -12.336 1.00 23.35 C ATOM 127 CG LYS A 9 -9.866 -20.836 -12.992 1.00 62.43 C ATOM 128 CD LYS A 9 -9.988 -22.015 -13.943 1.00 34.40 C ATOM 129 CE LYS A 9 -10.231 -23.315 -13.191 1.00 15.12 C ATOM 130 NZ LYS A 9 -9.090 -23.661 -12.299 1.00 34.21 N ATOM 0 H LYS A 9 -9.437 -19.673 -10.827 1.00 74.10 H new ATOM 0 HA LYS A 9 -11.213 -18.367 -12.519 1.00 4.31 H new ATOM 0 HB2 LYS A 9 -11.399 -21.246 -11.559 1.00 23.35 H new ATOM 0 HB3 LYS A 9 -11.990 -20.601 -13.078 1.00 23.35 H new ATOM 0 HG2 LYS A 9 -9.504 -19.964 -13.537 1.00 62.43 H new ATOM 0 HG3 LYS A 9 -9.126 -21.062 -12.224 1.00 62.43 H new ATOM 0 HD2 LYS A 9 -10.807 -21.838 -14.640 1.00 34.40 H new ATOM 0 HD3 LYS A 9 -9.078 -22.101 -14.536 1.00 34.40 H new ATOM 0 HE2 LYS A 9 -11.142 -23.227 -12.598 1.00 15.12 H new ATOM 0 HE3 LYS A 9 -10.392 -24.123 -13.905 1.00 15.12 H new ATOM 0 HZ1 LYS A 9 -9.151 -24.664 -12.031 1.00 34.21 H new ATOM 0 HZ2 LYS A 9 -8.194 -23.490 -12.799 1.00 34.21 H new ATOM 0 HZ3 LYS A 9 -9.127 -23.071 -11.443 1.00 34.21 H new ATOM 144 N LYS A 10 -12.552 -19.349 -9.690 1.00 71.22 N ATOM 145 CA LYS A 10 -13.734 -19.232 -8.844 1.00 41.22 C ATOM 146 C LYS A 10 -14.152 -17.773 -8.693 1.00 3.34 C ATOM 147 O LYS A 10 -15.320 -17.474 -8.442 1.00 41.25 O ATOM 148 CB LYS A 10 -13.463 -19.842 -7.467 1.00 10.40 C ATOM 149 CG LYS A 10 -13.608 -21.353 -7.432 1.00 30.12 C ATOM 150 CD LYS A 10 -12.330 -22.046 -7.873 1.00 70.35 C ATOM 151 CE LYS A 10 -12.321 -23.512 -7.466 1.00 13.32 C ATOM 152 NZ LYS A 10 -11.817 -23.698 -6.077 1.00 70.00 N ATOM 0 H LYS A 10 -11.746 -19.775 -9.232 1.00 71.22 H new ATOM 0 HA LYS A 10 -14.548 -19.777 -9.322 1.00 41.22 H new ATOM 0 HB2 LYS A 10 -12.454 -19.575 -7.153 1.00 10.40 H new ATOM 0 HB3 LYS A 10 -14.149 -19.403 -6.743 1.00 10.40 H new ATOM 0 HG2 LYS A 10 -13.866 -21.671 -6.422 1.00 30.12 H new ATOM 0 HG3 LYS A 10 -14.430 -21.656 -8.081 1.00 30.12 H new ATOM 0 HD2 LYS A 10 -12.227 -21.967 -8.955 1.00 70.35 H new ATOM 0 HD3 LYS A 10 -11.470 -21.540 -7.433 1.00 70.35 H new ATOM 0 HE2 LYS A 10 -13.330 -23.917 -7.544 1.00 13.32 H new ATOM 0 HE3 LYS A 10 -11.697 -24.077 -8.158 1.00 13.32 H new ATOM 0 HZ1 LYS A 10 -11.826 -24.710 -5.837 1.00 70.00 H new ATOM 0 HZ2 LYS A 10 -10.845 -23.335 -6.009 1.00 70.00 H new ATOM 0 HZ3 LYS A 10 -12.428 -23.179 -5.414 1.00 70.00 H new ATOM 166 N HIS A 11 -13.191 -16.867 -8.847 1.00 24.40 N ATOM 167 CA HIS A 11 -13.460 -15.439 -8.729 1.00 40.22 C ATOM 168 C HIS A 11 -14.554 -15.010 -9.702 1.00 72.22 C ATOM 169 O HIS A 11 -15.245 -14.016 -9.476 1.00 22.13 O ATOM 170 CB HIS A 11 -12.186 -14.635 -8.990 1.00 41.10 C ATOM 171 CG HIS A 11 -12.239 -13.237 -8.455 1.00 34.14 C ATOM 172 ND1 HIS A 11 -12.225 -12.946 -7.107 1.00 31.42 N ATOM 173 CD2 HIS A 11 -12.306 -12.046 -9.094 1.00 62.12 C ATOM 174 CE1 HIS A 11 -12.282 -11.637 -6.940 1.00 71.14 C ATOM 175 NE2 HIS A 11 -12.331 -11.068 -8.131 1.00 54.51 N ATOM 0 H HIS A 11 -12.219 -17.097 -9.054 1.00 24.40 H new ATOM 0 HA HIS A 11 -13.803 -15.242 -7.713 1.00 40.22 H new ATOM 0 HB2 HIS A 11 -11.340 -15.155 -8.541 1.00 41.10 H new ATOM 0 HB3 HIS A 11 -12.004 -14.597 -10.064 1.00 41.10 H new ATOM 0 HD2 HIS A 11 -12.335 -11.893 -10.163 1.00 62.12 H new ATOM 0 HE1 HIS A 11 -12.288 -11.120 -5.992 1.00 71.14 H new ATOM 0 HE2 HIS A 11 -12.380 -10.064 -8.307 1.00 54.51 H new ATOM 184 N ILE A 12 -14.706 -15.766 -10.785 1.00 5.52 N ATOM 185 CA ILE A 12 -15.716 -15.463 -11.791 1.00 64.53 C ATOM 186 C ILE A 12 -17.090 -15.285 -11.155 1.00 2.12 C ATOM 187 O ILE A 12 -17.924 -14.528 -11.652 1.00 41.35 O ATOM 188 CB ILE A 12 -15.797 -16.571 -12.858 1.00 25.50 C ATOM 189 CG1 ILE A 12 -16.704 -16.135 -14.010 1.00 31.31 C ATOM 190 CG2 ILE A 12 -16.302 -17.866 -12.239 1.00 62.34 C ATOM 191 CD1 ILE A 12 -16.433 -16.870 -15.304 1.00 52.01 C ATOM 0 H ILE A 12 -14.143 -16.592 -10.988 1.00 5.52 H new ATOM 0 HA ILE A 12 -15.416 -14.530 -12.268 1.00 64.53 H new ATOM 0 HB ILE A 12 -14.797 -16.747 -13.255 1.00 25.50 H new ATOM 0 HG12 ILE A 12 -17.744 -16.293 -13.723 1.00 31.31 H new ATOM 0 HG13 ILE A 12 -16.578 -15.065 -14.176 1.00 31.31 H new ATOM 0 HG21 ILE A 12 -16.354 -18.640 -13.005 1.00 62.34 H new ATOM 0 HG22 ILE A 12 -15.620 -18.182 -11.450 1.00 62.34 H new ATOM 0 HG23 ILE A 12 -17.294 -17.705 -11.818 1.00 62.34 H new ATOM 0 HD11 ILE A 12 -17.113 -16.510 -16.076 1.00 52.01 H new ATOM 0 HD12 ILE A 12 -15.404 -16.692 -15.615 1.00 52.01 H new ATOM 0 HD13 ILE A 12 -16.587 -17.939 -15.155 1.00 52.01 H new ATOM 203 N THR A 13 -17.319 -15.986 -10.049 1.00 34.12 N ATOM 204 CA THR A 13 -18.592 -15.905 -9.343 1.00 22.12 C ATOM 205 C THR A 13 -18.896 -14.472 -8.921 1.00 74.22 C ATOM 206 O THR A 13 -19.924 -13.909 -9.298 1.00 32.31 O ATOM 207 CB THR A 13 -18.600 -16.808 -8.095 1.00 75.21 C ATOM 208 OG1 THR A 13 -17.508 -16.466 -7.235 1.00 13.32 O ATOM 209 CG2 THR A 13 -18.503 -18.275 -8.488 1.00 2.42 C ATOM 0 H THR A 13 -16.640 -16.616 -9.623 1.00 34.12 H new ATOM 0 HA THR A 13 -19.360 -16.248 -10.036 1.00 22.12 H new ATOM 0 HB THR A 13 -19.540 -16.651 -7.566 1.00 75.21 H new ATOM 0 HG1 THR A 13 -16.684 -16.874 -7.574 1.00 13.32 H new ATOM 0 HG21 THR A 13 -18.510 -18.893 -7.590 1.00 2.42 H new ATOM 0 HG22 THR A 13 -19.352 -18.540 -9.118 1.00 2.42 H new ATOM 0 HG23 THR A 13 -17.577 -18.444 -9.037 1.00 2.42 H new ATOM 217 N SER A 14 -17.996 -13.887 -8.138 1.00 12.32 N ATOM 218 CA SER A 14 -18.171 -12.519 -7.662 1.00 64.33 C ATOM 219 C SER A 14 -18.205 -11.538 -8.830 1.00 75.32 C ATOM 220 O SER A 14 -18.888 -10.515 -8.776 1.00 25.53 O ATOM 221 CB SER A 14 -17.042 -12.144 -6.700 1.00 14.24 C ATOM 222 OG SER A 14 -16.825 -10.744 -6.690 1.00 12.51 O ATOM 0 H SER A 14 -17.138 -14.338 -7.820 1.00 12.32 H new ATOM 0 HA SER A 14 -19.123 -12.463 -7.134 1.00 64.33 H new ATOM 0 HB2 SER A 14 -17.289 -12.484 -5.694 1.00 14.24 H new ATOM 0 HB3 SER A 14 -16.125 -12.655 -6.993 1.00 14.24 H new ATOM 0 HG SER A 14 -16.100 -10.530 -6.067 1.00 12.51 H new ATOM 228 N ALA A 15 -17.465 -11.859 -9.886 1.00 44.40 N ATOM 229 CA ALA A 15 -17.411 -11.008 -11.068 1.00 55.33 C ATOM 230 C ALA A 15 -18.762 -10.966 -11.775 1.00 41.55 C ATOM 231 O ALA A 15 -19.258 -9.894 -12.126 1.00 5.30 O ATOM 232 CB ALA A 15 -16.330 -11.495 -12.021 1.00 3.11 C ATOM 0 H ALA A 15 -16.895 -12.702 -9.947 1.00 44.40 H new ATOM 0 HA ALA A 15 -17.166 -9.996 -10.746 1.00 55.33 H new ATOM 0 HB1 ALA A 15 -16.301 -10.850 -12.899 1.00 3.11 H new ATOM 0 HB2 ALA A 15 -15.363 -11.467 -11.519 1.00 3.11 H new ATOM 0 HB3 ALA A 15 -16.550 -12.517 -12.329 1.00 3.11 H new ATOM 238 N LEU A 16 -19.352 -12.137 -11.983 1.00 74.21 N ATOM 239 CA LEU A 16 -20.646 -12.234 -12.650 1.00 34.33 C ATOM 240 C LEU A 16 -21.733 -11.541 -11.833 1.00 62.44 C ATOM 241 O LEU A 16 -22.569 -10.820 -12.378 1.00 32.32 O ATOM 242 CB LEU A 16 -21.018 -13.701 -12.874 1.00 32.15 C ATOM 243 CG LEU A 16 -21.017 -14.180 -14.326 1.00 2.23 C ATOM 244 CD1 LEU A 16 -19.674 -13.896 -14.980 1.00 25.40 C ATOM 245 CD2 LEU A 16 -21.345 -15.664 -14.398 1.00 41.04 C ATOM 0 H LEU A 16 -18.955 -13.033 -11.700 1.00 74.21 H new ATOM 0 HA LEU A 16 -20.568 -11.734 -13.615 1.00 34.33 H new ATOM 0 HB2 LEU A 16 -20.324 -14.322 -12.307 1.00 32.15 H new ATOM 0 HB3 LEU A 16 -22.011 -13.871 -12.457 1.00 32.15 H new ATOM 0 HG LEU A 16 -21.786 -13.632 -14.870 1.00 2.23 H new ATOM 0 HD11 LEU A 16 -19.692 -14.244 -16.013 1.00 25.40 H new ATOM 0 HD12 LEU A 16 -19.480 -12.824 -14.961 1.00 25.40 H new ATOM 0 HD13 LEU A 16 -18.887 -14.417 -14.435 1.00 25.40 H new ATOM 0 HD21 LEU A 16 -21.340 -15.988 -15.439 1.00 41.04 H new ATOM 0 HD22 LEU A 16 -20.599 -16.229 -13.839 1.00 41.04 H new ATOM 0 HD23 LEU A 16 -22.331 -15.840 -13.968 1.00 41.04 H new ATOM 257 N LYS A 17 -21.713 -11.763 -10.523 1.00 73.15 N ATOM 258 CA LYS A 17 -22.694 -11.158 -9.630 1.00 2.01 C ATOM 259 C LYS A 17 -22.718 -9.642 -9.795 1.00 43.20 C ATOM 260 O LYS A 17 -23.777 -9.017 -9.740 1.00 73.30 O ATOM 261 CB LYS A 17 -22.380 -11.518 -8.176 1.00 73.41 C ATOM 262 CG LYS A 17 -23.207 -12.676 -7.645 1.00 32.34 C ATOM 263 CD LYS A 17 -24.661 -12.280 -7.449 1.00 50.13 C ATOM 264 CE LYS A 17 -25.402 -13.288 -6.585 1.00 34.12 C ATOM 265 NZ LYS A 17 -25.232 -14.680 -7.086 1.00 24.03 N ATOM 0 H LYS A 17 -21.028 -12.358 -10.056 1.00 73.15 H new ATOM 0 HA LYS A 17 -23.677 -11.550 -9.891 1.00 2.01 H new ATOM 0 HB2 LYS A 17 -21.323 -11.769 -8.093 1.00 73.41 H new ATOM 0 HB3 LYS A 17 -22.550 -10.643 -7.549 1.00 73.41 H new ATOM 0 HG2 LYS A 17 -23.148 -13.515 -8.339 1.00 32.34 H new ATOM 0 HG3 LYS A 17 -22.791 -13.017 -6.697 1.00 32.34 H new ATOM 0 HD2 LYS A 17 -24.711 -11.295 -6.985 1.00 50.13 H new ATOM 0 HD3 LYS A 17 -25.151 -12.201 -8.419 1.00 50.13 H new ATOM 0 HE2 LYS A 17 -25.038 -13.224 -5.560 1.00 34.12 H new ATOM 0 HE3 LYS A 17 -26.462 -13.037 -6.563 1.00 34.12 H new ATOM 0 HZ1 LYS A 17 -26.114 -15.212 -6.940 1.00 24.03 H new ATOM 0 HZ2 LYS A 17 -25.005 -14.658 -8.101 1.00 24.03 H new ATOM 0 HZ3 LYS A 17 -24.458 -15.143 -6.568 1.00 24.03 H new ATOM 279 N LYS A 18 -21.543 -9.055 -9.999 1.00 52.11 N ATOM 280 CA LYS A 18 -21.429 -7.612 -10.175 1.00 64.13 C ATOM 281 C LYS A 18 -21.809 -7.206 -11.596 1.00 4.45 C ATOM 282 O LYS A 18 -22.379 -6.136 -11.815 1.00 3.25 O ATOM 283 CB LYS A 18 -20.002 -7.151 -9.866 1.00 34.40 C ATOM 284 CG LYS A 18 -19.719 -7.005 -8.381 1.00 31.41 C ATOM 285 CD LYS A 18 -18.264 -6.650 -8.123 1.00 73.21 C ATOM 286 CE LYS A 18 -17.386 -7.891 -8.084 1.00 60.32 C ATOM 287 NZ LYS A 18 -16.079 -7.626 -7.421 1.00 15.31 N ATOM 0 H LYS A 18 -20.656 -9.557 -10.046 1.00 52.11 H new ATOM 0 HA LYS A 18 -22.118 -7.131 -9.481 1.00 64.13 H new ATOM 0 HB2 LYS A 18 -19.298 -7.865 -10.293 1.00 34.40 H new ATOM 0 HB3 LYS A 18 -19.824 -6.194 -10.357 1.00 34.40 H new ATOM 0 HG2 LYS A 18 -20.363 -6.232 -7.961 1.00 31.41 H new ATOM 0 HG3 LYS A 18 -19.963 -7.936 -7.870 1.00 31.41 H new ATOM 0 HD2 LYS A 18 -17.909 -5.976 -8.903 1.00 73.21 H new ATOM 0 HD3 LYS A 18 -18.181 -6.115 -7.177 1.00 73.21 H new ATOM 0 HE2 LYS A 18 -17.907 -8.688 -7.554 1.00 60.32 H new ATOM 0 HE3 LYS A 18 -17.212 -8.245 -9.100 1.00 60.32 H new ATOM 0 HZ1 LYS A 18 -15.510 -8.497 -7.415 1.00 15.31 H new ATOM 0 HZ2 LYS A 18 -15.570 -6.883 -7.942 1.00 15.31 H new ATOM 0 HZ3 LYS A 18 -16.243 -7.313 -6.443 1.00 15.31 H new ATOM 301 N LEU A 19 -21.491 -8.065 -12.557 1.00 70.40 N ATOM 302 CA LEU A 19 -21.801 -7.796 -13.957 1.00 22.40 C ATOM 303 C LEU A 19 -23.288 -7.510 -14.140 1.00 62.45 C ATOM 304 O LEU A 19 -23.669 -6.481 -14.698 1.00 64.35 O ATOM 305 CB LEU A 19 -21.387 -8.983 -14.829 1.00 23.34 C ATOM 306 CG LEU A 19 -19.956 -8.953 -15.368 1.00 31.33 C ATOM 307 CD1 LEU A 19 -19.582 -10.301 -15.964 1.00 71.41 C ATOM 308 CD2 LEU A 19 -19.799 -7.848 -16.402 1.00 70.31 C ATOM 0 H LEU A 19 -21.019 -8.954 -12.393 1.00 70.40 H new ATOM 0 HA LEU A 19 -21.240 -6.914 -14.265 1.00 22.40 H new ATOM 0 HB2 LEU A 19 -21.516 -9.897 -14.249 1.00 23.34 H new ATOM 0 HB3 LEU A 19 -22.072 -9.043 -15.675 1.00 23.34 H new ATOM 0 HG LEU A 19 -19.280 -8.746 -14.539 1.00 31.33 H new ATOM 0 HD11 LEU A 19 -18.561 -10.261 -16.342 1.00 71.41 H new ATOM 0 HD12 LEU A 19 -19.654 -11.071 -15.196 1.00 71.41 H new ATOM 0 HD13 LEU A 19 -20.263 -10.539 -16.781 1.00 71.41 H new ATOM 0 HD21 LEU A 19 -18.775 -7.841 -16.775 1.00 70.31 H new ATOM 0 HD22 LEU A 19 -20.485 -8.024 -17.230 1.00 70.31 H new ATOM 0 HD23 LEU A 19 -20.024 -6.885 -15.943 1.00 70.31 H new ATOM 320 N VAL A 20 -24.125 -8.427 -13.665 1.00 64.41 N ATOM 321 CA VAL A 20 -25.570 -8.273 -13.774 1.00 13.55 C ATOM 322 C VAL A 20 -26.047 -7.031 -13.028 1.00 54.04 C ATOM 323 O VAL A 20 -27.069 -6.439 -13.378 1.00 3.11 O ATOM 324 CB VAL A 20 -26.310 -9.505 -13.221 1.00 22.42 C ATOM 325 CG1 VAL A 20 -26.210 -9.552 -11.704 1.00 33.23 C ATOM 326 CG2 VAL A 20 -27.764 -9.499 -13.668 1.00 2.31 C ATOM 0 H VAL A 20 -23.826 -9.285 -13.201 1.00 64.41 H new ATOM 0 HA VAL A 20 -25.798 -8.168 -14.835 1.00 13.55 H new ATOM 0 HB VAL A 20 -25.835 -10.401 -13.620 1.00 22.42 H new ATOM 0 HG11 VAL A 20 -26.739 -10.429 -11.332 1.00 33.23 H new ATOM 0 HG12 VAL A 20 -25.162 -9.608 -11.410 1.00 33.23 H new ATOM 0 HG13 VAL A 20 -26.658 -8.652 -11.282 1.00 33.23 H new ATOM 0 HG21 VAL A 20 -28.271 -10.377 -13.268 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -28.254 -8.598 -13.300 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -27.810 -9.518 -14.757 1.00 2.31 H new ATOM 336 N ASP A 21 -25.301 -6.642 -12.001 1.00 14.35 N ATOM 337 CA ASP A 21 -25.647 -5.469 -11.206 1.00 1.31 C ATOM 338 C ASP A 21 -25.298 -4.185 -11.952 1.00 41.22 C ATOM 339 O ASP A 21 -26.079 -3.233 -11.971 1.00 44.12 O ATOM 340 CB ASP A 21 -24.920 -5.505 -9.861 1.00 22.11 C ATOM 341 CG ASP A 21 -25.548 -4.579 -8.838 1.00 23.11 C ATOM 342 OD1 ASP A 21 -26.610 -4.936 -8.287 1.00 73.20 O ATOM 343 OD2 ASP A 21 -24.976 -3.498 -8.588 1.00 12.54 O ATOM 0 H ASP A 21 -24.453 -7.121 -11.699 1.00 14.35 H new ATOM 0 HA ASP A 21 -26.722 -5.485 -11.029 1.00 1.31 H new ATOM 0 HB2 ASP A 21 -24.926 -6.525 -9.476 1.00 22.11 H new ATOM 0 HB3 ASP A 21 -23.877 -5.225 -10.008 1.00 22.11 H new ATOM 348 N LYS A 22 -24.119 -4.165 -12.566 1.00 15.34 N ATOM 349 CA LYS A 22 -23.666 -2.999 -13.314 1.00 4.41 C ATOM 350 C LYS A 22 -23.952 -3.162 -14.803 1.00 73.31 C ATOM 351 O LYS A 22 -23.297 -2.545 -15.643 1.00 1.12 O ATOM 352 CB LYS A 22 -22.167 -2.777 -13.094 1.00 14.05 C ATOM 353 CG LYS A 22 -21.784 -2.621 -11.632 1.00 52.42 C ATOM 354 CD LYS A 22 -20.392 -3.164 -11.360 1.00 23.34 C ATOM 355 CE LYS A 22 -20.202 -3.499 -9.888 1.00 11.31 C ATOM 356 NZ LYS A 22 -20.301 -2.288 -9.027 1.00 2.22 N ATOM 0 H LYS A 22 -23.460 -4.944 -12.560 1.00 15.34 H new ATOM 0 HA LYS A 22 -24.214 -2.130 -12.950 1.00 4.41 H new ATOM 0 HB2 LYS A 22 -21.618 -3.618 -13.517 1.00 14.05 H new ATOM 0 HB3 LYS A 22 -21.856 -1.886 -13.640 1.00 14.05 H new ATOM 0 HG2 LYS A 22 -21.825 -1.568 -11.354 1.00 52.42 H new ATOM 0 HG3 LYS A 22 -22.508 -3.144 -11.007 1.00 52.42 H new ATOM 0 HD2 LYS A 22 -20.225 -4.057 -11.962 1.00 23.34 H new ATOM 0 HD3 LYS A 22 -19.647 -2.429 -11.666 1.00 23.34 H new ATOM 0 HE2 LYS A 22 -20.954 -4.226 -9.581 1.00 11.31 H new ATOM 0 HE3 LYS A 22 -19.229 -3.968 -9.745 1.00 11.31 H new ATOM 0 HZ1 LYS A 22 -20.166 -2.558 -8.032 1.00 2.22 H new ATOM 0 HZ2 LYS A 22 -19.567 -1.605 -9.303 1.00 2.22 H new ATOM 0 HZ3 LYS A 22 -21.239 -1.855 -9.144 1.00 2.22 H new ATOM 370 N TYR A 23 -24.936 -3.996 -15.123 1.00 44.02 N ATOM 371 CA TYR A 23 -25.308 -4.241 -16.511 1.00 73.14 C ATOM 372 C TYR A 23 -25.850 -2.972 -17.162 1.00 72.12 C ATOM 373 O TYR A 23 -25.500 -2.644 -18.296 1.00 71.41 O ATOM 374 CB TYR A 23 -26.353 -5.355 -16.592 1.00 33.12 C ATOM 375 CG TYR A 23 -26.808 -5.658 -18.002 1.00 14.15 C ATOM 376 CD1 TYR A 23 -27.831 -4.928 -18.595 1.00 3.33 C ATOM 377 CD2 TYR A 23 -26.215 -6.674 -18.741 1.00 10.13 C ATOM 378 CE1 TYR A 23 -28.250 -5.202 -19.882 1.00 51.51 C ATOM 379 CE2 TYR A 23 -26.627 -6.954 -20.029 1.00 41.24 C ATOM 380 CZ TYR A 23 -27.645 -6.215 -20.595 1.00 71.34 C ATOM 381 OH TYR A 23 -28.059 -6.490 -21.879 1.00 20.24 O ATOM 0 H TYR A 23 -25.490 -4.513 -14.440 1.00 44.02 H new ATOM 0 HA TYR A 23 -24.413 -4.551 -17.051 1.00 73.14 H new ATOM 0 HB2 TYR A 23 -25.940 -6.262 -16.150 1.00 33.12 H new ATOM 0 HB3 TYR A 23 -27.219 -5.074 -15.992 1.00 33.12 H new ATOM 0 HD1 TYR A 23 -28.306 -4.133 -18.040 1.00 3.33 H new ATOM 0 HD2 TYR A 23 -25.418 -7.255 -18.301 1.00 10.13 H new ATOM 0 HE1 TYR A 23 -29.047 -4.626 -20.328 1.00 51.51 H new ATOM 0 HE2 TYR A 23 -26.155 -7.747 -20.590 1.00 41.24 H new ATOM 0 HH TYR A 23 -27.530 -7.231 -22.242 1.00 20.24 H new ATOM 391 N ARG A 24 -26.706 -2.262 -16.435 1.00 55.44 N ATOM 392 CA ARG A 24 -27.298 -1.029 -16.941 1.00 11.33 C ATOM 393 C ARG A 24 -26.450 0.180 -16.554 1.00 60.53 C ATOM 394 O ARG A 24 -26.890 1.322 -16.673 1.00 43.31 O ATOM 395 CB ARG A 24 -28.720 -0.861 -16.400 1.00 65.24 C ATOM 396 CG ARG A 24 -29.647 -2.010 -16.760 1.00 31.31 C ATOM 397 CD ARG A 24 -29.650 -3.082 -15.681 1.00 62.34 C ATOM 398 NE ARG A 24 -30.867 -3.045 -14.875 1.00 52.15 N ATOM 399 CZ ARG A 24 -31.138 -3.918 -13.912 1.00 23.22 C ATOM 400 NH1 ARG A 24 -30.281 -4.892 -13.635 1.00 52.22 N ATOM 401 NH2 ARG A 24 -32.267 -3.818 -13.222 1.00 61.31 N ATOM 0 H ARG A 24 -27.005 -2.519 -15.494 1.00 55.44 H new ATOM 0 HA ARG A 24 -27.335 -1.093 -18.028 1.00 11.33 H new ATOM 0 HB2 ARG A 24 -28.678 -0.765 -15.315 1.00 65.24 H new ATOM 0 HB3 ARG A 24 -29.139 0.068 -16.786 1.00 65.24 H new ATOM 0 HG2 ARG A 24 -30.659 -1.632 -16.901 1.00 31.31 H new ATOM 0 HG3 ARG A 24 -29.335 -2.447 -17.708 1.00 31.31 H new ATOM 0 HD2 ARG A 24 -29.552 -4.063 -16.145 1.00 62.34 H new ATOM 0 HD3 ARG A 24 -28.783 -2.948 -15.034 1.00 62.34 H new ATOM 0 HE ARG A 24 -31.547 -2.308 -15.062 1.00 52.15 H new ATOM 0 HH11 ARG A 24 -29.411 -4.972 -14.162 1.00 52.22 H new ATOM 0 HH12 ARG A 24 -30.492 -5.561 -12.895 1.00 52.22 H new ATOM 0 HH21 ARG A 24 -32.928 -3.070 -13.431 1.00 61.31 H new ATOM 0 HH22 ARG A 24 -32.474 -4.489 -12.482 1.00 61.31 H new ATOM 415 N ASN A 25 -25.232 -0.083 -16.091 1.00 52.30 N ATOM 416 CA ASN A 25 -24.323 0.983 -15.686 1.00 43.10 C ATOM 417 C ASN A 25 -23.223 1.184 -16.725 1.00 33.04 C ATOM 418 O ASN A 25 -22.842 2.314 -17.029 1.00 4.21 O ATOM 419 CB ASN A 25 -23.702 0.662 -14.325 1.00 45.11 C ATOM 420 CG ASN A 25 -24.709 0.748 -13.195 1.00 72.20 C ATOM 421 OD1 ASN A 25 -24.591 1.591 -12.306 1.00 54.42 O ATOM 422 ND2 ASN A 25 -25.707 -0.128 -13.224 1.00 61.05 N ATOM 0 H ASN A 25 -24.852 -1.024 -15.987 1.00 52.30 H new ATOM 0 HA ASN A 25 -24.897 1.906 -15.607 1.00 43.10 H new ATOM 0 HB2 ASN A 25 -23.274 -0.340 -14.351 1.00 45.11 H new ATOM 0 HB3 ASN A 25 -22.882 1.353 -14.131 1.00 45.11 H new ATOM 0 HD21 ASN A 25 -26.415 -0.119 -12.490 1.00 61.05 H new ATOM 0 HD22 ASN A 25 -25.765 -0.810 -13.981 1.00 61.05 H new ATOM 429 N ASP A 26 -22.719 0.080 -17.265 1.00 51.22 N ATOM 430 CA ASP A 26 -21.665 0.134 -18.271 1.00 43.42 C ATOM 431 C ASP A 26 -22.143 -0.460 -19.592 1.00 61.41 C ATOM 432 O ASP A 26 -22.653 -1.580 -19.631 1.00 5.32 O ATOM 433 CB ASP A 26 -20.424 -0.613 -17.781 1.00 4.13 C ATOM 434 CG ASP A 26 -19.448 0.296 -17.059 1.00 71.01 C ATOM 435 OD1 ASP A 26 -19.126 1.373 -17.604 1.00 12.14 O ATOM 436 OD2 ASP A 26 -19.007 -0.069 -15.950 1.00 31.34 O ATOM 0 H ASP A 26 -23.023 -0.863 -17.023 1.00 51.22 H new ATOM 0 HA ASP A 26 -21.408 1.180 -18.436 1.00 43.42 H new ATOM 0 HB2 ASP A 26 -20.729 -1.418 -17.112 1.00 4.13 H new ATOM 0 HB3 ASP A 26 -19.923 -1.077 -18.631 1.00 4.13 H new ATOM 441 N GLU A 27 -21.975 0.297 -20.672 1.00 14.34 N ATOM 442 CA GLU A 27 -22.392 -0.155 -21.994 1.00 31.23 C ATOM 443 C GLU A 27 -21.577 -1.367 -22.436 1.00 42.10 C ATOM 444 O GLU A 27 -22.119 -2.328 -22.983 1.00 41.21 O ATOM 445 CB GLU A 27 -22.242 0.975 -23.015 1.00 22.44 C ATOM 446 CG GLU A 27 -20.836 1.547 -23.087 1.00 20.41 C ATOM 447 CD GLU A 27 -20.747 2.763 -23.988 1.00 64.33 C ATOM 448 OE1 GLU A 27 -21.045 2.630 -25.194 1.00 24.11 O ATOM 449 OE2 GLU A 27 -20.379 3.846 -23.489 1.00 3.31 O ATOM 0 H GLU A 27 -21.553 1.226 -20.657 1.00 14.34 H new ATOM 0 HA GLU A 27 -23.441 -0.445 -21.937 1.00 31.23 H new ATOM 0 HB2 GLU A 27 -22.525 0.603 -24.000 1.00 22.44 H new ATOM 0 HB3 GLU A 27 -22.938 1.775 -22.764 1.00 22.44 H new ATOM 0 HG2 GLU A 27 -20.506 1.818 -22.084 1.00 20.41 H new ATOM 0 HG3 GLU A 27 -20.153 0.779 -23.451 1.00 20.41 H new ATOM 456 N HIS A 28 -20.271 -1.314 -22.196 1.00 5.34 N ATOM 457 CA HIS A 28 -19.379 -2.406 -22.569 1.00 34.52 C ATOM 458 C HIS A 28 -19.794 -3.704 -21.882 1.00 72.44 C ATOM 459 O HIS A 28 -19.592 -4.794 -22.418 1.00 64.20 O ATOM 460 CB HIS A 28 -17.935 -2.062 -22.204 1.00 31.00 C ATOM 461 CG HIS A 28 -17.236 -1.238 -23.241 1.00 3.23 C ATOM 462 ND1 HIS A 28 -15.877 -1.006 -23.226 1.00 44.44 N ATOM 463 CD2 HIS A 28 -17.715 -0.591 -24.329 1.00 10.12 C ATOM 464 CE1 HIS A 28 -15.550 -0.250 -24.260 1.00 34.02 C ATOM 465 NE2 HIS A 28 -16.648 0.015 -24.945 1.00 40.20 N ATOM 0 H HIS A 28 -19.807 -0.526 -21.745 1.00 5.34 H new ATOM 0 HA HIS A 28 -19.449 -2.547 -23.648 1.00 34.52 H new ATOM 0 HB2 HIS A 28 -17.927 -1.523 -21.257 1.00 31.00 H new ATOM 0 HB3 HIS A 28 -17.378 -2.986 -22.050 1.00 31.00 H new ATOM 0 HD2 HIS A 28 -18.745 -0.558 -24.652 1.00 10.12 H new ATOM 0 HE1 HIS A 28 -14.555 0.092 -24.503 1.00 34.02 H new ATOM 0 HE2 HIS A 28 -16.695 0.578 -25.794 1.00 40.20 H new ATOM 474 N VAL A 29 -20.375 -3.580 -20.693 1.00 53.14 N ATOM 475 CA VAL A 29 -20.819 -4.743 -19.934 1.00 1.32 C ATOM 476 C VAL A 29 -22.052 -5.376 -20.569 1.00 24.32 C ATOM 477 O VAL A 29 -22.228 -6.594 -20.526 1.00 61.02 O ATOM 478 CB VAL A 29 -21.141 -4.370 -18.474 1.00 62.33 C ATOM 479 CG1 VAL A 29 -21.643 -5.586 -17.711 1.00 73.32 C ATOM 480 CG2 VAL A 29 -19.918 -3.772 -17.795 1.00 62.44 C ATOM 0 H VAL A 29 -20.549 -2.686 -20.235 1.00 53.14 H new ATOM 0 HA VAL A 29 -19.999 -5.461 -19.946 1.00 1.32 H new ATOM 0 HB VAL A 29 -21.931 -3.619 -18.475 1.00 62.33 H new ATOM 0 HG11 VAL A 29 -21.865 -5.304 -16.682 1.00 73.32 H new ATOM 0 HG12 VAL A 29 -22.547 -5.966 -18.186 1.00 73.32 H new ATOM 0 HG13 VAL A 29 -20.877 -6.361 -17.717 1.00 73.32 H new ATOM 0 HG21 VAL A 29 -20.163 -3.514 -16.765 1.00 62.44 H new ATOM 0 HG22 VAL A 29 -19.105 -4.498 -17.804 1.00 62.44 H new ATOM 0 HG23 VAL A 29 -19.608 -2.874 -18.329 1.00 62.44 H new ATOM 490 N ARG A 30 -22.902 -4.542 -21.158 1.00 20.10 N ATOM 491 CA ARG A 30 -24.119 -5.021 -21.802 1.00 14.52 C ATOM 492 C ARG A 30 -23.789 -5.941 -22.973 1.00 52.02 C ATOM 493 O ARG A 30 -24.266 -7.074 -23.040 1.00 65.30 O ATOM 494 CB ARG A 30 -24.962 -3.840 -22.289 1.00 30.24 C ATOM 495 CG ARG A 30 -25.366 -2.882 -21.180 1.00 41.00 C ATOM 496 CD ARG A 30 -26.086 -1.662 -21.733 1.00 44.10 C ATOM 497 NE ARG A 30 -27.221 -2.031 -22.575 1.00 3.34 N ATOM 498 CZ ARG A 30 -27.954 -1.150 -23.247 1.00 64.43 C ATOM 499 NH1 ARG A 30 -27.671 0.143 -23.178 1.00 14.25 N ATOM 500 NH2 ARG A 30 -28.971 -1.564 -23.992 1.00 50.42 N ATOM 0 H ARG A 30 -22.771 -3.531 -21.203 1.00 20.10 H new ATOM 0 HA ARG A 30 -24.690 -5.588 -21.067 1.00 14.52 H new ATOM 0 HB2 ARG A 30 -24.401 -3.291 -23.045 1.00 30.24 H new ATOM 0 HB3 ARG A 30 -25.861 -4.221 -22.774 1.00 30.24 H new ATOM 0 HG2 ARG A 30 -26.013 -3.397 -20.470 1.00 41.00 H new ATOM 0 HG3 ARG A 30 -24.480 -2.565 -20.631 1.00 41.00 H new ATOM 0 HD2 ARG A 30 -26.434 -1.041 -20.907 1.00 44.10 H new ATOM 0 HD3 ARG A 30 -25.386 -1.059 -22.312 1.00 44.10 H new ATOM 0 HE ARG A 30 -27.464 -3.019 -22.651 1.00 3.34 H new ATOM 0 HH11 ARG A 30 -26.889 0.464 -22.608 1.00 14.25 H new ATOM 0 HH12 ARG A 30 -28.236 0.817 -23.695 1.00 14.25 H new ATOM 0 HH21 ARG A 30 -29.190 -2.559 -24.049 1.00 50.42 H new ATOM 0 HH22 ARG A 30 -29.534 -0.888 -24.508 1.00 50.42 H new ATOM 514 N LYS A 31 -22.971 -5.446 -23.896 1.00 10.24 N ATOM 515 CA LYS A 31 -22.576 -6.222 -25.065 1.00 24.44 C ATOM 516 C LYS A 31 -21.826 -7.485 -24.651 1.00 34.00 C ATOM 517 O LYS A 31 -21.961 -8.533 -25.282 1.00 63.51 O ATOM 518 CB LYS A 31 -21.699 -5.377 -25.991 1.00 50.04 C ATOM 519 CG LYS A 31 -20.280 -5.189 -25.482 1.00 55.33 C ATOM 520 CD LYS A 31 -19.435 -4.399 -26.467 1.00 41.40 C ATOM 521 CE LYS A 31 -19.239 -5.160 -27.769 1.00 50.43 C ATOM 522 NZ LYS A 31 -18.061 -4.660 -28.532 1.00 33.32 N ATOM 0 H LYS A 31 -22.568 -4.510 -23.857 1.00 10.24 H new ATOM 0 HA LYS A 31 -23.480 -6.515 -25.598 1.00 24.44 H new ATOM 0 HB2 LYS A 31 -21.664 -5.848 -26.974 1.00 50.04 H new ATOM 0 HB3 LYS A 31 -22.161 -4.399 -26.122 1.00 50.04 H new ATOM 0 HG2 LYS A 31 -20.302 -4.671 -24.523 1.00 55.33 H new ATOM 0 HG3 LYS A 31 -19.823 -6.163 -25.308 1.00 55.33 H new ATOM 0 HD2 LYS A 31 -19.914 -3.442 -26.673 1.00 41.40 H new ATOM 0 HD3 LYS A 31 -18.464 -4.181 -26.022 1.00 41.40 H new ATOM 0 HE2 LYS A 31 -19.109 -6.221 -27.554 1.00 50.43 H new ATOM 0 HE3 LYS A 31 -20.135 -5.067 -28.382 1.00 50.43 H new ATOM 0 HZ1 LYS A 31 -17.961 -5.204 -29.413 1.00 33.32 H new ATOM 0 HZ2 LYS A 31 -18.196 -3.654 -28.760 1.00 33.32 H new ATOM 0 HZ3 LYS A 31 -17.202 -4.772 -27.957 1.00 33.32 H new ATOM 536 N VAL A 32 -21.038 -7.378 -23.586 1.00 40.11 N ATOM 537 CA VAL A 32 -20.270 -8.512 -23.087 1.00 5.13 C ATOM 538 C VAL A 32 -21.183 -9.565 -22.470 1.00 25.44 C ATOM 539 O VAL A 32 -21.082 -10.751 -22.785 1.00 72.23 O ATOM 540 CB VAL A 32 -19.233 -8.069 -22.037 1.00 43.24 C ATOM 541 CG1 VAL A 32 -18.646 -9.277 -21.323 1.00 11.31 C ATOM 542 CG2 VAL A 32 -18.136 -7.240 -22.689 1.00 71.35 C ATOM 0 H VAL A 32 -20.915 -6.518 -23.052 1.00 40.11 H new ATOM 0 HA VAL A 32 -19.749 -8.943 -23.942 1.00 5.13 H new ATOM 0 HB VAL A 32 -19.735 -7.447 -21.296 1.00 43.24 H new ATOM 0 HG11 VAL A 32 -17.916 -8.944 -20.585 1.00 11.31 H new ATOM 0 HG12 VAL A 32 -19.443 -9.827 -20.822 1.00 11.31 H new ATOM 0 HG13 VAL A 32 -18.158 -9.927 -22.049 1.00 11.31 H new ATOM 0 HG21 VAL A 32 -17.412 -6.935 -21.933 1.00 71.35 H new ATOM 0 HG22 VAL A 32 -17.635 -7.835 -23.452 1.00 71.35 H new ATOM 0 HG23 VAL A 32 -18.574 -6.354 -23.149 1.00 71.35 H new ATOM 552 N PHE A 33 -22.074 -9.125 -21.588 1.00 1.21 N ATOM 553 CA PHE A 33 -23.006 -10.030 -20.925 1.00 44.13 C ATOM 554 C PHE A 33 -24.041 -10.562 -21.911 1.00 55.24 C ATOM 555 O PHE A 33 -24.623 -11.626 -21.703 1.00 35.51 O ATOM 556 CB PHE A 33 -23.706 -9.316 -19.767 1.00 75.43 C ATOM 557 CG PHE A 33 -23.849 -10.167 -18.538 1.00 12.14 C ATOM 558 CD1 PHE A 33 -22.739 -10.507 -17.781 1.00 51.43 C ATOM 559 CD2 PHE A 33 -25.094 -10.627 -18.138 1.00 63.12 C ATOM 560 CE1 PHE A 33 -22.867 -11.289 -16.649 1.00 10.21 C ATOM 561 CE2 PHE A 33 -25.228 -11.409 -17.007 1.00 22.24 C ATOM 562 CZ PHE A 33 -24.113 -11.741 -16.262 1.00 30.53 C ATOM 0 H PHE A 33 -22.171 -8.147 -21.316 1.00 1.21 H new ATOM 0 HA PHE A 33 -22.438 -10.873 -20.532 1.00 44.13 H new ATOM 0 HB2 PHE A 33 -23.145 -8.416 -19.513 1.00 75.43 H new ATOM 0 HB3 PHE A 33 -24.695 -8.994 -20.094 1.00 75.43 H new ATOM 0 HD1 PHE A 33 -21.762 -10.156 -18.079 1.00 51.43 H new ATOM 0 HD2 PHE A 33 -25.969 -10.371 -18.717 1.00 63.12 H new ATOM 0 HE1 PHE A 33 -21.994 -11.546 -16.068 1.00 10.21 H new ATOM 0 HE2 PHE A 33 -26.204 -11.761 -16.706 1.00 22.24 H new ATOM 0 HZ PHE A 33 -24.216 -12.353 -15.378 1.00 30.53 H new ATOM 572 N ASP A 34 -24.266 -9.813 -22.985 1.00 54.41 N ATOM 573 CA ASP A 34 -25.231 -10.208 -24.005 1.00 15.35 C ATOM 574 C ASP A 34 -24.719 -11.402 -24.804 1.00 13.21 C ATOM 575 O ASP A 34 -25.436 -12.382 -25.000 1.00 74.32 O ATOM 576 CB ASP A 34 -25.522 -9.036 -24.944 1.00 23.02 C ATOM 577 CG ASP A 34 -26.265 -9.466 -26.193 1.00 40.02 C ATOM 578 OD1 ASP A 34 -25.616 -10.007 -27.113 1.00 73.13 O ATOM 579 OD2 ASP A 34 -27.495 -9.262 -26.251 1.00 35.24 O ATOM 0 H ASP A 34 -23.793 -8.929 -23.172 1.00 54.41 H new ATOM 0 HA ASP A 34 -26.154 -10.499 -23.504 1.00 15.35 H new ATOM 0 HB2 ASP A 34 -26.111 -8.287 -24.414 1.00 23.02 H new ATOM 0 HB3 ASP A 34 -24.583 -8.561 -25.229 1.00 23.02 H new ATOM 584 N GLU A 35 -23.475 -11.310 -25.263 1.00 71.41 N ATOM 585 CA GLU A 35 -22.869 -12.383 -26.043 1.00 23.01 C ATOM 586 C GLU A 35 -22.662 -13.629 -25.186 1.00 4.40 C ATOM 587 O GLU A 35 -22.849 -14.753 -25.652 1.00 22.14 O ATOM 588 CB GLU A 35 -21.531 -11.925 -26.628 1.00 11.11 C ATOM 589 CG GLU A 35 -20.545 -11.434 -25.581 1.00 60.50 C ATOM 590 CD GLU A 35 -19.221 -11.005 -26.183 1.00 21.14 C ATOM 591 OE1 GLU A 35 -19.238 -10.334 -27.236 1.00 35.10 O ATOM 592 OE2 GLU A 35 -18.168 -11.340 -25.601 1.00 40.30 O ATOM 0 H GLU A 35 -22.868 -10.505 -25.109 1.00 71.41 H new ATOM 0 HA GLU A 35 -23.548 -12.633 -26.858 1.00 23.01 H new ATOM 0 HB2 GLU A 35 -21.082 -12.752 -27.178 1.00 11.11 H new ATOM 0 HB3 GLU A 35 -21.713 -11.126 -27.347 1.00 11.11 H new ATOM 0 HG2 GLU A 35 -20.983 -10.595 -25.040 1.00 60.50 H new ATOM 0 HG3 GLU A 35 -20.369 -12.226 -24.853 1.00 60.50 H new ATOM 599 N ILE A 36 -22.274 -13.419 -23.932 1.00 61.35 N ATOM 600 CA ILE A 36 -22.042 -14.524 -23.011 1.00 21.24 C ATOM 601 C ILE A 36 -23.347 -15.228 -22.656 1.00 55.20 C ATOM 602 O ILE A 36 -23.475 -16.440 -22.823 1.00 71.33 O ATOM 603 CB ILE A 36 -21.363 -14.043 -21.715 1.00 22.13 C ATOM 604 CG1 ILE A 36 -20.020 -13.382 -22.032 1.00 11.40 C ATOM 605 CG2 ILE A 36 -21.172 -15.207 -20.753 1.00 52.51 C ATOM 606 CD1 ILE A 36 -19.549 -12.426 -20.959 1.00 1.54 C ATOM 0 H ILE A 36 -22.114 -12.495 -23.532 1.00 61.35 H new ATOM 0 HA ILE A 36 -21.381 -15.225 -23.520 1.00 21.24 H new ATOM 0 HB ILE A 36 -22.007 -13.304 -21.238 1.00 22.13 H new ATOM 0 HG12 ILE A 36 -19.267 -14.157 -22.173 1.00 11.40 H new ATOM 0 HG13 ILE A 36 -20.103 -12.843 -22.976 1.00 11.40 H new ATOM 0 HG21 ILE A 36 -20.691 -14.851 -19.842 1.00 52.51 H new ATOM 0 HG22 ILE A 36 -22.142 -15.638 -20.506 1.00 52.51 H new ATOM 0 HG23 ILE A 36 -20.546 -15.967 -21.221 1.00 52.51 H new ATOM 0 HD11 ILE A 36 -18.591 -11.995 -21.251 1.00 1.54 H new ATOM 0 HD12 ILE A 36 -20.283 -11.630 -20.834 1.00 1.54 H new ATOM 0 HD13 ILE A 36 -19.433 -12.964 -20.018 1.00 1.54 H new ATOM 618 N GLN A 37 -24.314 -14.458 -22.167 1.00 55.14 N ATOM 619 CA GLN A 37 -25.611 -15.008 -21.791 1.00 12.15 C ATOM 620 C GLN A 37 -26.158 -15.915 -22.888 1.00 42.53 C ATOM 621 O GLN A 37 -26.802 -16.925 -22.607 1.00 51.35 O ATOM 622 CB GLN A 37 -26.603 -13.880 -21.503 1.00 54.44 C ATOM 623 CG GLN A 37 -26.538 -13.360 -20.076 1.00 62.31 C ATOM 624 CD GLN A 37 -27.355 -12.099 -19.876 1.00 22.22 C ATOM 625 OE1 GLN A 37 -28.171 -12.014 -18.958 1.00 10.31 O ATOM 626 NE2 GLN A 37 -27.139 -11.111 -20.736 1.00 40.20 N ATOM 0 H GLN A 37 -24.224 -13.452 -22.022 1.00 55.14 H new ATOM 0 HA GLN A 37 -25.476 -15.603 -20.888 1.00 12.15 H new ATOM 0 HB2 GLN A 37 -26.412 -13.056 -22.190 1.00 54.44 H new ATOM 0 HB3 GLN A 37 -27.613 -14.236 -21.705 1.00 54.44 H new ATOM 0 HG2 GLN A 37 -26.897 -14.132 -19.395 1.00 62.31 H new ATOM 0 HG3 GLN A 37 -25.499 -13.161 -19.813 1.00 62.31 H new ATOM 0 HE21 GLN A 37 -26.453 -11.225 -21.482 1.00 40.20 H new ATOM 0 HE22 GLN A 37 -27.659 -10.238 -20.651 1.00 40.20 H new ATOM 635 N GLN A 38 -25.896 -15.546 -24.138 1.00 54.12 N ATOM 636 CA GLN A 38 -26.364 -16.326 -25.278 1.00 23.21 C ATOM 637 C GLN A 38 -25.535 -17.596 -25.445 1.00 11.31 C ATOM 638 O GLN A 38 -26.059 -18.707 -25.367 1.00 74.00 O ATOM 639 CB GLN A 38 -26.300 -15.489 -26.557 1.00 25.34 C ATOM 640 CG GLN A 38 -27.299 -14.345 -26.585 1.00 53.53 C ATOM 641 CD GLN A 38 -28.640 -14.755 -27.162 1.00 42.34 C ATOM 642 OE1 GLN A 38 -28.974 -14.405 -28.295 1.00 15.14 O ATOM 643 NE2 GLN A 38 -29.416 -15.501 -26.385 1.00 41.02 N ATOM 0 H GLN A 38 -25.363 -14.713 -24.387 1.00 54.12 H new ATOM 0 HA GLN A 38 -27.399 -16.611 -25.091 1.00 23.21 H new ATOM 0 HB2 GLN A 38 -25.294 -15.085 -26.667 1.00 25.34 H new ATOM 0 HB3 GLN A 38 -26.478 -16.137 -27.415 1.00 25.34 H new ATOM 0 HG2 GLN A 38 -27.443 -13.969 -25.572 1.00 53.53 H new ATOM 0 HG3 GLN A 38 -26.890 -13.525 -27.174 1.00 53.53 H new ATOM 0 HE21 GLN A 38 -29.099 -15.768 -25.453 1.00 41.02 H new ATOM 0 HE22 GLN A 38 -30.329 -15.808 -26.720 1.00 41.02 H new ATOM 652 N LYS A 39 -24.238 -17.424 -25.675 1.00 41.43 N ATOM 653 CA LYS A 39 -23.335 -18.555 -25.853 1.00 12.23 C ATOM 654 C LYS A 39 -23.449 -19.530 -24.685 1.00 70.05 C ATOM 655 O LYS A 39 -23.215 -20.730 -24.840 1.00 54.53 O ATOM 656 CB LYS A 39 -21.891 -18.065 -25.983 1.00 70.53 C ATOM 657 CG LYS A 39 -21.207 -17.824 -24.649 1.00 34.34 C ATOM 658 CD LYS A 39 -19.784 -17.325 -24.833 1.00 71.51 C ATOM 659 CE LYS A 39 -18.801 -18.120 -23.987 1.00 41.01 C ATOM 660 NZ LYS A 39 -17.397 -17.938 -24.450 1.00 13.31 N ATOM 0 H LYS A 39 -23.788 -16.511 -25.743 1.00 41.43 H new ATOM 0 HA LYS A 39 -23.619 -19.075 -26.768 1.00 12.23 H new ATOM 0 HB2 LYS A 39 -21.317 -18.799 -26.549 1.00 70.53 H new ATOM 0 HB3 LYS A 39 -21.881 -17.140 -26.559 1.00 70.53 H new ATOM 0 HG2 LYS A 39 -21.777 -17.095 -24.073 1.00 34.34 H new ATOM 0 HG3 LYS A 39 -21.197 -18.749 -24.072 1.00 34.34 H new ATOM 0 HD2 LYS A 39 -19.504 -17.399 -25.884 1.00 71.51 H new ATOM 0 HD3 LYS A 39 -19.729 -16.271 -24.562 1.00 71.51 H new ATOM 0 HE2 LYS A 39 -18.883 -17.809 -22.946 1.00 41.01 H new ATOM 0 HE3 LYS A 39 -19.062 -19.178 -24.025 1.00 41.01 H new ATOM 0 HZ1 LYS A 39 -16.758 -18.496 -23.848 1.00 13.31 H new ATOM 0 HZ2 LYS A 39 -17.312 -18.259 -25.436 1.00 13.31 H new ATOM 0 HZ3 LYS A 39 -17.139 -16.932 -24.390 1.00 13.31 H new ATOM 674 N LEU A 40 -23.810 -19.009 -23.518 1.00 55.12 N ATOM 675 CA LEU A 40 -23.957 -19.834 -22.324 1.00 72.33 C ATOM 676 C LEU A 40 -25.405 -20.279 -22.144 1.00 70.03 C ATOM 677 O LEU A 40 -25.687 -21.231 -21.416 1.00 71.44 O ATOM 678 CB LEU A 40 -23.491 -19.064 -21.088 1.00 24.44 C ATOM 679 CG LEU A 40 -22.039 -19.292 -20.663 1.00 53.13 C ATOM 680 CD1 LEU A 40 -21.094 -18.482 -21.537 1.00 74.15 C ATOM 681 CD2 LEU A 40 -21.850 -18.934 -19.196 1.00 52.04 C ATOM 0 H LEU A 40 -24.006 -18.019 -23.373 1.00 55.12 H new ATOM 0 HA LEU A 40 -23.336 -20.722 -22.447 1.00 72.33 H new ATOM 0 HB2 LEU A 40 -23.631 -17.999 -21.274 1.00 24.44 H new ATOM 0 HB3 LEU A 40 -24.139 -19.330 -20.253 1.00 24.44 H new ATOM 0 HG LEU A 40 -21.805 -20.349 -20.792 1.00 53.13 H new ATOM 0 HD11 LEU A 40 -20.066 -18.657 -21.220 1.00 74.15 H new ATOM 0 HD12 LEU A 40 -21.210 -18.786 -22.577 1.00 74.15 H new ATOM 0 HD13 LEU A 40 -21.328 -17.422 -21.441 1.00 74.15 H new ATOM 0 HD21 LEU A 40 -20.811 -19.102 -18.911 1.00 52.04 H new ATOM 0 HD22 LEU A 40 -22.103 -17.885 -19.042 1.00 52.04 H new ATOM 0 HD23 LEU A 40 -22.500 -19.558 -18.583 1.00 52.04 H new ATOM 693 N HIS A 41 -26.320 -19.585 -22.814 1.00 3.41 N ATOM 694 CA HIS A 41 -27.739 -19.910 -22.730 1.00 51.11 C ATOM 695 C HIS A 41 -28.258 -19.715 -21.309 1.00 11.13 C ATOM 696 O HIS A 41 -28.901 -20.601 -20.744 1.00 43.22 O ATOM 697 CB HIS A 41 -27.981 -21.351 -23.181 1.00 12.33 C ATOM 698 CG HIS A 41 -27.363 -21.676 -24.506 1.00 11.24 C ATOM 699 ND1 HIS A 41 -28.104 -21.905 -25.646 1.00 21.12 N ATOM 700 CD2 HIS A 41 -26.066 -21.808 -24.869 1.00 2.22 C ATOM 701 CE1 HIS A 41 -27.289 -22.166 -26.653 1.00 13.25 C ATOM 702 NE2 HIS A 41 -26.047 -22.113 -26.208 1.00 2.44 N ATOM 0 H HIS A 41 -26.104 -18.794 -23.421 1.00 3.41 H new ATOM 0 HA HIS A 41 -28.281 -19.234 -23.391 1.00 51.11 H new ATOM 0 HB2 HIS A 41 -27.583 -22.031 -22.427 1.00 12.33 H new ATOM 0 HB3 HIS A 41 -29.055 -21.530 -23.237 1.00 12.33 H new ATOM 0 HD2 HIS A 41 -25.206 -21.695 -24.226 1.00 2.22 H new ATOM 0 HE1 HIS A 41 -27.588 -22.385 -27.667 1.00 13.25 H new ATOM 0 HE2 HIS A 41 -25.209 -22.273 -26.768 1.00 2.44 H new ATOM 711 N CYS A 42 -27.975 -18.550 -20.735 1.00 64.30 N ATOM 712 CA CYS A 42 -28.411 -18.239 -19.379 1.00 51.34 C ATOM 713 C CYS A 42 -28.804 -16.769 -19.259 1.00 32.12 C ATOM 714 O CYS A 42 -28.557 -15.973 -20.165 1.00 14.52 O ATOM 715 CB CYS A 42 -27.303 -18.566 -18.377 1.00 1.44 C ATOM 716 SG CYS A 42 -25.732 -17.699 -18.695 1.00 74.14 S ATOM 0 H CYS A 42 -27.445 -17.806 -21.188 1.00 64.30 H new ATOM 0 HA CYS A 42 -29.285 -18.850 -19.155 1.00 51.34 H new ATOM 0 HB2 CYS A 42 -27.648 -18.313 -17.375 1.00 1.44 H new ATOM 0 HB3 CYS A 42 -27.122 -19.641 -18.390 1.00 1.44 H new ATOM 721 N CYS A 43 -29.417 -16.417 -18.134 1.00 11.14 N ATOM 722 CA CYS A 43 -29.845 -15.044 -17.893 1.00 30.22 C ATOM 723 C CYS A 43 -29.242 -14.506 -16.599 1.00 10.44 C ATOM 724 O CYS A 43 -29.099 -15.234 -15.618 1.00 14.05 O ATOM 725 CB CYS A 43 -31.372 -14.968 -17.828 1.00 3.25 C ATOM 726 SG CYS A 43 -32.216 -15.750 -19.239 1.00 53.04 S ATOM 0 H CYS A 43 -29.629 -17.064 -17.374 1.00 11.14 H new ATOM 0 HA CYS A 43 -29.492 -14.429 -18.721 1.00 30.22 H new ATOM 0 HB2 CYS A 43 -31.710 -15.444 -16.907 1.00 3.25 H new ATOM 0 HB3 CYS A 43 -31.671 -13.921 -17.774 1.00 3.25 H new ATOM 731 N GLY A 44 -28.890 -13.223 -16.605 1.00 22.41 N ATOM 732 CA GLY A 44 -28.307 -12.609 -15.427 1.00 4.52 C ATOM 733 C GLY A 44 -27.106 -13.374 -14.908 1.00 4.13 C ATOM 734 O GLY A 44 -26.672 -14.351 -15.518 1.00 54.42 O ATOM 0 H GLY A 44 -28.998 -12.599 -17.405 1.00 22.41 H new ATOM 0 HA2 GLY A 44 -28.009 -11.588 -15.664 1.00 4.52 H new ATOM 0 HA3 GLY A 44 -29.061 -12.547 -14.642 1.00 4.52 H new ATOM 738 N ALA A 45 -26.565 -12.929 -13.778 1.00 53.30 N ATOM 739 CA ALA A 45 -25.407 -13.579 -13.177 1.00 53.30 C ATOM 740 C ALA A 45 -25.790 -14.919 -12.558 1.00 1.43 C ATOM 741 O ALA A 45 -25.295 -15.968 -12.970 1.00 43.30 O ATOM 742 CB ALA A 45 -24.777 -12.672 -12.130 1.00 54.12 C ATOM 0 H ALA A 45 -26.911 -12.121 -13.261 1.00 53.30 H new ATOM 0 HA ALA A 45 -24.677 -13.768 -13.964 1.00 53.30 H new ATOM 0 HB1 ALA A 45 -23.913 -13.170 -11.689 1.00 54.12 H new ATOM 0 HB2 ALA A 45 -24.459 -11.741 -12.599 1.00 54.12 H new ATOM 0 HB3 ALA A 45 -25.507 -12.454 -11.350 1.00 54.12 H new ATOM 748 N ASP A 46 -26.673 -14.876 -11.566 1.00 24.10 N ATOM 749 CA ASP A 46 -27.122 -16.088 -10.890 1.00 1.42 C ATOM 750 C ASP A 46 -28.531 -16.467 -11.334 1.00 13.34 C ATOM 751 O ASP A 46 -28.896 -17.643 -11.340 1.00 4.51 O ATOM 752 CB ASP A 46 -27.086 -15.894 -9.373 1.00 52.31 C ATOM 753 CG ASP A 46 -27.581 -14.524 -8.953 1.00 3.33 C ATOM 754 OD1 ASP A 46 -26.856 -13.534 -9.185 1.00 44.43 O ATOM 755 OD2 ASP A 46 -28.693 -14.441 -8.392 1.00 32.31 O ATOM 0 H ASP A 46 -27.092 -14.016 -11.212 1.00 24.10 H new ATOM 0 HA ASP A 46 -26.445 -16.898 -11.161 1.00 1.42 H new ATOM 0 HB2 ASP A 46 -27.698 -16.660 -8.897 1.00 52.31 H new ATOM 0 HB3 ASP A 46 -26.066 -16.034 -9.016 1.00 52.31 H new ATOM 760 N SER A 47 -29.320 -15.463 -11.703 1.00 12.30 N ATOM 761 CA SER A 47 -30.691 -15.690 -12.144 1.00 35.35 C ATOM 762 C SER A 47 -31.204 -14.506 -12.958 1.00 31.14 C ATOM 763 O SER A 47 -30.654 -13.405 -12.914 1.00 35.33 O ATOM 764 CB SER A 47 -31.604 -15.929 -10.939 1.00 3.53 C ATOM 765 OG SER A 47 -32.427 -14.802 -10.692 1.00 34.11 O ATOM 0 H SER A 47 -29.033 -14.484 -11.705 1.00 12.30 H new ATOM 0 HA SER A 47 -30.700 -16.576 -12.779 1.00 35.35 H new ATOM 0 HB2 SER A 47 -32.226 -16.806 -11.118 1.00 3.53 H new ATOM 0 HB3 SER A 47 -31.000 -16.142 -10.057 1.00 3.53 H new ATOM 0 HG SER A 47 -32.627 -14.747 -9.734 1.00 34.11 H new ATOM 771 N PRO A 48 -32.284 -14.736 -13.720 1.00 23.24 N ATOM 772 CA PRO A 48 -32.896 -13.701 -14.558 1.00 64.34 C ATOM 773 C PRO A 48 -33.587 -12.621 -13.734 1.00 4.40 C ATOM 774 O PRO A 48 -33.800 -11.504 -14.208 1.00 61.50 O ATOM 775 CB PRO A 48 -33.921 -14.478 -15.389 1.00 3.15 C ATOM 776 CG PRO A 48 -34.251 -15.673 -14.562 1.00 44.30 C ATOM 777 CD PRO A 48 -32.990 -16.024 -13.821 1.00 34.13 C ATOM 0 HA PRO A 48 -32.155 -13.171 -15.156 1.00 64.34 H new ATOM 0 HB2 PRO A 48 -34.808 -13.876 -15.587 1.00 3.15 H new ATOM 0 HB3 PRO A 48 -33.509 -14.767 -16.356 1.00 3.15 H new ATOM 0 HG2 PRO A 48 -35.064 -15.456 -13.869 1.00 44.30 H new ATOM 0 HG3 PRO A 48 -34.580 -16.502 -15.188 1.00 44.30 H new ATOM 0 HD2 PRO A 48 -33.205 -16.443 -12.838 1.00 34.13 H new ATOM 0 HD3 PRO A 48 -32.400 -16.765 -14.361 1.00 34.13 H new ATOM 785 N LYS A 49 -33.934 -12.958 -12.497 1.00 33.32 N ATOM 786 CA LYS A 49 -34.600 -12.017 -11.605 1.00 1.35 C ATOM 787 C LYS A 49 -33.681 -10.848 -11.263 1.00 50.14 C ATOM 788 O LYS A 49 -34.133 -9.815 -10.768 1.00 65.05 O ATOM 789 CB LYS A 49 -35.041 -12.724 -10.321 1.00 55.40 C ATOM 790 CG LYS A 49 -36.122 -13.768 -10.543 1.00 12.44 C ATOM 791 CD LYS A 49 -37.509 -13.147 -10.524 1.00 31.00 C ATOM 792 CE LYS A 49 -38.595 -14.211 -10.467 1.00 41.34 C ATOM 793 NZ LYS A 49 -38.624 -14.904 -9.150 1.00 22.30 N ATOM 0 H LYS A 49 -33.765 -13.877 -12.089 1.00 33.32 H new ATOM 0 HA LYS A 49 -35.479 -11.628 -12.119 1.00 1.35 H new ATOM 0 HB2 LYS A 49 -34.175 -13.202 -9.863 1.00 55.40 H new ATOM 0 HB3 LYS A 49 -35.406 -11.980 -9.613 1.00 55.40 H new ATOM 0 HG2 LYS A 49 -35.958 -14.265 -11.499 1.00 12.44 H new ATOM 0 HG3 LYS A 49 -36.054 -14.533 -9.770 1.00 12.44 H new ATOM 0 HD2 LYS A 49 -37.601 -12.485 -9.663 1.00 31.00 H new ATOM 0 HD3 LYS A 49 -37.646 -12.533 -11.414 1.00 31.00 H new ATOM 0 HE2 LYS A 49 -39.565 -13.751 -10.656 1.00 41.34 H new ATOM 0 HE3 LYS A 49 -38.429 -14.942 -11.258 1.00 41.34 H new ATOM 0 HZ1 LYS A 49 -39.523 -15.416 -9.047 1.00 22.30 H new ATOM 0 HZ2 LYS A 49 -37.834 -15.578 -9.095 1.00 22.30 H new ATOM 0 HZ3 LYS A 49 -38.535 -14.203 -8.387 1.00 22.30 H new ATOM 807 N ASP A 50 -32.391 -11.018 -11.532 1.00 52.53 N ATOM 808 CA ASP A 50 -31.409 -9.975 -11.256 1.00 72.41 C ATOM 809 C ASP A 50 -31.731 -8.705 -12.036 1.00 53.32 C ATOM 810 O ASP A 50 -31.380 -7.601 -11.618 1.00 30.34 O ATOM 811 CB ASP A 50 -30.003 -10.463 -11.610 1.00 33.25 C ATOM 812 CG ASP A 50 -29.495 -11.515 -10.643 1.00 74.11 C ATOM 813 OD1 ASP A 50 -29.758 -11.382 -9.430 1.00 13.22 O ATOM 814 OD2 ASP A 50 -28.834 -12.471 -11.100 1.00 73.31 O ATOM 0 H ASP A 50 -32.001 -11.867 -11.941 1.00 52.53 H new ATOM 0 HA ASP A 50 -31.449 -9.745 -10.191 1.00 72.41 H new ATOM 0 HB2 ASP A 50 -30.007 -10.874 -12.620 1.00 33.25 H new ATOM 0 HB3 ASP A 50 -29.317 -9.616 -11.614 1.00 33.25 H new ATOM 819 N TYR A 51 -32.400 -8.868 -13.172 1.00 52.32 N ATOM 820 CA TYR A 51 -32.767 -7.734 -14.013 1.00 25.21 C ATOM 821 C TYR A 51 -34.132 -7.181 -13.617 1.00 74.53 C ATOM 822 O TYR A 51 -34.440 -6.017 -13.867 1.00 43.23 O ATOM 823 CB TYR A 51 -32.778 -8.147 -15.486 1.00 31.34 C ATOM 824 CG TYR A 51 -31.403 -8.434 -16.045 1.00 21.11 C ATOM 825 CD1 TYR A 51 -30.387 -7.490 -15.961 1.00 41.23 C ATOM 826 CD2 TYR A 51 -31.120 -9.648 -16.658 1.00 23.44 C ATOM 827 CE1 TYR A 51 -29.129 -7.747 -16.471 1.00 70.05 C ATOM 828 CE2 TYR A 51 -29.865 -9.915 -17.169 1.00 45.22 C ATOM 829 CZ TYR A 51 -28.873 -8.961 -17.074 1.00 3.01 C ATOM 830 OH TYR A 51 -27.621 -9.222 -17.584 1.00 14.04 O ATOM 0 H TYR A 51 -32.699 -9.774 -13.532 1.00 52.32 H new ATOM 0 HA TYR A 51 -32.023 -6.951 -13.868 1.00 25.21 H new ATOM 0 HB2 TYR A 51 -33.400 -9.035 -15.601 1.00 31.34 H new ATOM 0 HB3 TYR A 51 -33.242 -7.354 -16.073 1.00 31.34 H new ATOM 0 HD1 TYR A 51 -30.584 -6.539 -15.489 1.00 41.23 H new ATOM 0 HD2 TYR A 51 -31.895 -10.396 -16.736 1.00 23.44 H new ATOM 0 HE1 TYR A 51 -28.351 -7.002 -16.398 1.00 70.05 H new ATOM 0 HE2 TYR A 51 -29.661 -10.865 -17.640 1.00 45.22 H new ATOM 0 HH TYR A 51 -27.240 -8.398 -17.953 1.00 14.04 H new ATOM 840 N GLY A 52 -34.949 -8.028 -12.997 1.00 10.32 N ATOM 841 CA GLY A 52 -36.272 -7.607 -12.575 1.00 75.24 C ATOM 842 C GLY A 52 -37.375 -8.375 -13.276 1.00 74.14 C ATOM 843 O GLY A 52 -37.693 -9.502 -12.897 1.00 52.30 O ATOM 0 H GLY A 52 -34.718 -8.997 -12.780 1.00 10.32 H new ATOM 0 HA2 GLY A 52 -36.367 -7.743 -11.498 1.00 75.24 H new ATOM 0 HA3 GLY A 52 -36.392 -6.542 -12.774 1.00 75.24 H new ATOM 847 N GLU A 53 -37.961 -7.763 -14.301 1.00 75.40 N ATOM 848 CA GLU A 53 -39.037 -8.397 -15.054 1.00 72.13 C ATOM 849 C GLU A 53 -38.904 -8.103 -16.546 1.00 2.33 C ATOM 850 O GLU A 53 -39.877 -8.180 -17.294 1.00 33.22 O ATOM 851 CB GLU A 53 -40.398 -7.914 -14.548 1.00 22.13 C ATOM 852 CG GLU A 53 -40.517 -6.401 -14.472 1.00 71.20 C ATOM 853 CD GLU A 53 -41.893 -5.904 -14.869 1.00 54.12 C ATOM 854 OE1 GLU A 53 -42.885 -6.339 -14.247 1.00 5.12 O ATOM 855 OE2 GLU A 53 -41.979 -5.079 -15.803 1.00 43.11 O ATOM 0 H GLU A 53 -37.709 -6.830 -14.628 1.00 75.40 H new ATOM 0 HA GLU A 53 -38.963 -9.474 -14.905 1.00 72.13 H new ATOM 0 HB2 GLU A 53 -41.178 -8.299 -15.205 1.00 22.13 H new ATOM 0 HB3 GLU A 53 -40.579 -8.334 -13.559 1.00 22.13 H new ATOM 0 HG2 GLU A 53 -40.295 -6.073 -13.456 1.00 71.20 H new ATOM 0 HG3 GLU A 53 -39.769 -5.948 -15.123 1.00 71.20 H new ATOM 862 N ASN A 54 -37.691 -7.764 -16.970 1.00 4.03 N ATOM 863 CA ASN A 54 -37.429 -7.457 -18.371 1.00 41.51 C ATOM 864 C ASN A 54 -35.950 -7.637 -18.701 1.00 33.22 C ATOM 865 O ASN A 54 -35.201 -6.673 -18.857 1.00 11.35 O ATOM 866 CB ASN A 54 -37.863 -6.024 -18.690 1.00 61.53 C ATOM 867 CG ASN A 54 -39.368 -5.891 -18.818 1.00 71.30 C ATOM 868 OD1 ASN A 54 -39.940 -6.170 -19.872 1.00 42.12 O ATOM 869 ND2 ASN A 54 -40.017 -5.463 -17.742 1.00 35.33 N ATOM 0 H ASN A 54 -36.874 -7.695 -16.363 1.00 4.03 H new ATOM 0 HA ASN A 54 -38.006 -8.150 -18.983 1.00 41.51 H new ATOM 0 HB2 ASN A 54 -37.507 -5.356 -17.905 1.00 61.53 H new ATOM 0 HB3 ASN A 54 -37.392 -5.703 -19.619 1.00 61.53 H new ATOM 0 HD21 ASN A 54 -41.031 -5.354 -17.768 1.00 35.33 H new ATOM 0 HD22 ASN A 54 -39.502 -5.243 -16.889 1.00 35.33 H new ATOM 876 N PRO A 55 -35.519 -8.902 -18.811 1.00 21.43 N ATOM 877 CA PRO A 55 -34.127 -9.240 -19.124 1.00 52.11 C ATOM 878 C PRO A 55 -33.754 -8.884 -20.559 1.00 64.41 C ATOM 879 O PRO A 55 -34.609 -8.588 -21.394 1.00 0.15 O ATOM 880 CB PRO A 55 -34.075 -10.756 -18.918 1.00 4.33 C ATOM 881 CG PRO A 55 -35.475 -11.216 -19.130 1.00 55.22 C ATOM 882 CD PRO A 55 -36.357 -10.101 -18.638 1.00 24.11 C ATOM 0 HA PRO A 55 -33.423 -8.688 -18.502 1.00 52.11 H new ATOM 0 HB2 PRO A 55 -33.392 -11.228 -19.624 1.00 4.33 H new ATOM 0 HB3 PRO A 55 -33.723 -11.008 -17.918 1.00 4.33 H new ATOM 0 HG2 PRO A 55 -35.662 -11.425 -20.183 1.00 55.22 H new ATOM 0 HG3 PRO A 55 -35.670 -12.138 -18.582 1.00 55.22 H new ATOM 0 HD2 PRO A 55 -37.279 -10.034 -19.215 1.00 24.11 H new ATOM 0 HD3 PRO A 55 -36.643 -10.245 -17.596 1.00 24.11 H new ATOM 890 N PRO A 56 -32.446 -8.915 -20.856 1.00 2.52 N ATOM 891 CA PRO A 56 -31.930 -8.599 -22.191 1.00 64.10 C ATOM 892 C PRO A 56 -32.287 -9.668 -23.218 1.00 53.32 C ATOM 893 O PRO A 56 -32.607 -10.803 -22.864 1.00 11.14 O ATOM 894 CB PRO A 56 -30.414 -8.545 -21.982 1.00 12.44 C ATOM 895 CG PRO A 56 -30.164 -9.411 -20.796 1.00 13.24 C ATOM 896 CD PRO A 56 -31.371 -9.259 -19.911 1.00 25.33 C ATOM 0 HA PRO A 56 -32.354 -7.674 -22.583 1.00 64.10 H new ATOM 0 HB2 PRO A 56 -29.880 -8.911 -22.859 1.00 12.44 H new ATOM 0 HB3 PRO A 56 -30.075 -7.524 -21.805 1.00 12.44 H new ATOM 0 HG2 PRO A 56 -30.027 -10.451 -21.094 1.00 13.24 H new ATOM 0 HG3 PRO A 56 -29.257 -9.106 -20.274 1.00 13.24 H new ATOM 0 HD2 PRO A 56 -31.591 -10.179 -19.370 1.00 25.33 H new ATOM 0 HD3 PRO A 56 -31.226 -8.477 -19.165 1.00 25.33 H new ATOM 904 N THR A 57 -32.231 -9.298 -24.494 1.00 60.31 N ATOM 905 CA THR A 57 -32.550 -10.225 -25.573 1.00 4.11 C ATOM 906 C THR A 57 -31.644 -11.451 -25.530 1.00 54.32 C ATOM 907 O THR A 57 -31.982 -12.502 -26.074 1.00 24.43 O ATOM 908 CB THR A 57 -32.416 -9.550 -26.951 1.00 50.01 C ATOM 909 OG1 THR A 57 -32.632 -10.511 -27.990 1.00 61.23 O ATOM 910 CG2 THR A 57 -31.041 -8.920 -27.114 1.00 11.31 C ATOM 0 H THR A 57 -31.968 -8.363 -24.805 1.00 60.31 H new ATOM 0 HA THR A 57 -33.585 -10.536 -25.428 1.00 4.11 H new ATOM 0 HB THR A 57 -33.168 -8.764 -27.021 1.00 50.01 H new ATOM 0 HG1 THR A 57 -32.547 -10.074 -28.863 1.00 61.23 H new ATOM 0 HG21 THR A 57 -30.970 -8.450 -28.095 1.00 11.31 H new ATOM 0 HG22 THR A 57 -30.891 -8.168 -26.339 1.00 11.31 H new ATOM 0 HG23 THR A 57 -30.275 -9.690 -27.025 1.00 11.31 H new ATOM 918 N SER A 58 -30.494 -11.309 -24.880 1.00 43.52 N ATOM 919 CA SER A 58 -29.538 -12.404 -24.769 1.00 70.33 C ATOM 920 C SER A 58 -30.066 -13.494 -23.841 1.00 53.03 C ATOM 921 O SER A 58 -29.533 -14.603 -23.800 1.00 73.35 O ATOM 922 CB SER A 58 -28.194 -11.887 -24.253 1.00 50.43 C ATOM 923 OG SER A 58 -28.375 -10.972 -23.186 1.00 75.11 O ATOM 0 H SER A 58 -30.201 -10.446 -24.422 1.00 43.52 H new ATOM 0 HA SER A 58 -29.397 -12.832 -25.762 1.00 70.33 H new ATOM 0 HB2 SER A 58 -27.583 -12.725 -23.918 1.00 50.43 H new ATOM 0 HB3 SER A 58 -27.652 -11.402 -25.064 1.00 50.43 H new ATOM 0 HG SER A 58 -28.213 -10.060 -23.506 1.00 75.11 H new ATOM 929 N CYS A 59 -31.118 -13.170 -23.097 1.00 10.42 N ATOM 930 CA CYS A 59 -31.720 -14.118 -22.168 1.00 71.51 C ATOM 931 C CYS A 59 -32.609 -15.114 -22.908 1.00 21.22 C ATOM 932 O CYS A 59 -32.854 -16.220 -22.426 1.00 63.44 O ATOM 933 CB CYS A 59 -32.538 -13.378 -21.108 1.00 43.21 C ATOM 934 SG CYS A 59 -33.518 -14.469 -20.028 1.00 72.44 S ATOM 0 H CYS A 59 -31.572 -12.257 -23.120 1.00 10.42 H new ATOM 0 HA CYS A 59 -30.916 -14.668 -21.678 1.00 71.51 H new ATOM 0 HB2 CYS A 59 -31.862 -12.786 -20.491 1.00 43.21 H new ATOM 0 HB3 CYS A 59 -33.210 -12.679 -21.606 1.00 43.21 H new ATOM 939 N SER A 60 -33.089 -14.713 -24.081 1.00 23.13 N ATOM 940 CA SER A 60 -33.953 -15.568 -24.886 1.00 31.12 C ATOM 941 C SER A 60 -33.382 -15.752 -26.288 1.00 45.34 C ATOM 942 O SER A 60 -32.631 -14.909 -26.781 1.00 71.33 O ATOM 943 CB SER A 60 -35.360 -14.972 -24.970 1.00 22.41 C ATOM 944 OG SER A 60 -35.322 -13.559 -24.872 1.00 21.22 O ATOM 0 H SER A 60 -32.894 -13.801 -24.495 1.00 23.13 H new ATOM 0 HA SER A 60 -34.007 -16.544 -24.404 1.00 31.12 H new ATOM 0 HB2 SER A 60 -35.825 -15.262 -25.912 1.00 22.41 H new ATOM 0 HB3 SER A 60 -35.979 -15.379 -24.170 1.00 22.41 H new ATOM 0 HG SER A 60 -36.233 -13.202 -24.930 1.00 21.22 H new ATOM 950 N LYS A 61 -33.742 -16.860 -26.927 1.00 10.12 N ATOM 951 CA LYS A 61 -33.268 -17.156 -28.273 1.00 63.43 C ATOM 952 C LYS A 61 -34.232 -18.091 -28.996 1.00 71.23 C ATOM 953 O LYS A 61 -34.800 -19.001 -28.392 1.00 11.02 O ATOM 954 CB LYS A 61 -31.874 -17.787 -28.218 1.00 75.11 C ATOM 955 CG LYS A 61 -30.907 -17.214 -29.239 1.00 24.22 C ATOM 956 CD LYS A 61 -31.044 -17.904 -30.586 1.00 12.41 C ATOM 957 CE LYS A 61 -30.620 -19.362 -30.511 1.00 61.35 C ATOM 958 NZ LYS A 61 -29.689 -19.726 -31.615 1.00 62.22 N ATOM 0 H LYS A 61 -34.361 -17.568 -26.533 1.00 10.12 H new ATOM 0 HA LYS A 61 -33.215 -16.219 -28.827 1.00 63.43 H new ATOM 0 HB2 LYS A 61 -31.460 -17.647 -27.219 1.00 75.11 H new ATOM 0 HB3 LYS A 61 -31.964 -18.861 -28.378 1.00 75.11 H new ATOM 0 HG2 LYS A 61 -31.091 -16.146 -29.356 1.00 24.22 H new ATOM 0 HG3 LYS A 61 -29.885 -17.324 -28.875 1.00 24.22 H new ATOM 0 HD2 LYS A 61 -32.078 -17.842 -30.924 1.00 12.41 H new ATOM 0 HD3 LYS A 61 -30.435 -17.384 -31.326 1.00 12.41 H new ATOM 0 HE2 LYS A 61 -30.138 -19.551 -29.552 1.00 61.35 H new ATOM 0 HE3 LYS A 61 -31.503 -20.000 -30.555 1.00 61.35 H new ATOM 0 HZ1 LYS A 61 -29.423 -20.728 -31.529 1.00 62.22 H new ATOM 0 HZ2 LYS A 61 -30.158 -19.570 -32.530 1.00 62.22 H new ATOM 0 HZ3 LYS A 61 -28.835 -19.135 -31.558 1.00 62.22 H new ATOM 972 N ASP A 62 -34.411 -17.862 -30.292 1.00 51.34 N ATOM 973 CA ASP A 62 -35.305 -18.685 -31.098 1.00 60.34 C ATOM 974 C ASP A 62 -36.696 -18.748 -30.475 1.00 40.32 C ATOM 975 O ASP A 62 -37.430 -19.717 -30.665 1.00 45.22 O ATOM 976 CB ASP A 62 -34.736 -20.097 -31.248 1.00 61.03 C ATOM 977 CG ASP A 62 -35.345 -20.846 -32.417 1.00 40.44 C ATOM 978 OD1 ASP A 62 -35.078 -20.458 -33.574 1.00 4.23 O ATOM 979 OD2 ASP A 62 -36.090 -21.819 -32.176 1.00 42.11 O ATOM 0 H ASP A 62 -33.949 -17.113 -30.807 1.00 51.34 H new ATOM 0 HA ASP A 62 -35.389 -18.228 -32.084 1.00 60.34 H new ATOM 0 HB2 ASP A 62 -33.656 -20.038 -31.381 1.00 61.03 H new ATOM 0 HB3 ASP A 62 -34.914 -20.657 -30.330 1.00 61.03 H new ATOM 984 N GLY A 63 -37.052 -17.706 -29.729 1.00 20.43 N ATOM 985 CA GLY A 63 -38.353 -17.663 -29.088 1.00 33.51 C ATOM 986 C GLY A 63 -38.411 -18.515 -27.835 1.00 1.30 C ATOM 987 O GLY A 63 -39.480 -18.982 -27.442 1.00 22.13 O ATOM 0 H GLY A 63 -36.463 -16.891 -29.557 1.00 20.43 H new ATOM 0 HA2 GLY A 63 -38.595 -16.631 -28.833 1.00 33.51 H new ATOM 0 HA3 GLY A 63 -39.113 -18.005 -29.791 1.00 33.51 H new ATOM 991 N VAL A 64 -37.258 -18.718 -27.206 1.00 64.42 N ATOM 992 CA VAL A 64 -37.181 -19.520 -25.991 1.00 3.14 C ATOM 993 C VAL A 64 -36.491 -18.752 -24.869 1.00 14.34 C ATOM 994 O VAL A 64 -35.702 -17.842 -25.121 1.00 11.23 O ATOM 995 CB VAL A 64 -36.424 -20.839 -26.235 1.00 71.00 C ATOM 996 CG1 VAL A 64 -34.939 -20.662 -25.959 1.00 42.25 C ATOM 997 CG2 VAL A 64 -37.005 -21.953 -25.377 1.00 1.33 C ATOM 0 H VAL A 64 -36.364 -18.338 -27.518 1.00 64.42 H new ATOM 0 HA VAL A 64 -38.206 -19.747 -25.697 1.00 3.14 H new ATOM 0 HB VAL A 64 -36.543 -21.118 -27.282 1.00 71.00 H new ATOM 0 HG11 VAL A 64 -34.421 -21.604 -26.137 1.00 42.25 H new ATOM 0 HG12 VAL A 64 -34.535 -19.895 -26.620 1.00 42.25 H new ATOM 0 HG13 VAL A 64 -34.795 -20.359 -24.922 1.00 42.25 H new ATOM 0 HG21 VAL A 64 -36.458 -22.878 -25.562 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -36.918 -21.684 -24.324 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -38.056 -22.096 -25.629 1.00 1.33 H new ATOM 1007 N GLN A 65 -36.795 -19.125 -23.630 1.00 31.22 N ATOM 1008 CA GLN A 65 -36.204 -18.471 -22.469 1.00 12.45 C ATOM 1009 C GLN A 65 -35.252 -19.412 -21.739 1.00 31.24 C ATOM 1010 O GLN A 65 -35.525 -20.605 -21.604 1.00 24.25 O ATOM 1011 CB GLN A 65 -37.300 -17.993 -21.514 1.00 4.13 C ATOM 1012 CG GLN A 65 -36.830 -16.933 -20.530 1.00 61.13 C ATOM 1013 CD GLN A 65 -36.357 -17.524 -19.217 1.00 33.32 C ATOM 1014 OE1 GLN A 65 -36.594 -18.698 -18.930 1.00 34.10 O ATOM 1015 NE2 GLN A 65 -35.684 -16.712 -18.410 1.00 31.30 N ATOM 0 H GLN A 65 -37.447 -19.876 -23.405 1.00 31.22 H new ATOM 0 HA GLN A 65 -35.635 -17.610 -22.819 1.00 12.45 H new ATOM 0 HB2 GLN A 65 -38.130 -17.593 -22.097 1.00 4.13 H new ATOM 0 HB3 GLN A 65 -37.684 -18.848 -20.958 1.00 4.13 H new ATOM 0 HG2 GLN A 65 -36.019 -16.360 -20.979 1.00 61.13 H new ATOM 0 HG3 GLN A 65 -37.645 -16.235 -20.337 1.00 61.13 H new ATOM 0 HE21 GLN A 65 -35.510 -15.746 -18.688 1.00 31.30 H new ATOM 0 HE22 GLN A 65 -35.341 -17.054 -17.512 1.00 31.30 H new ATOM 1024 N PHE A 66 -34.134 -18.868 -21.270 1.00 22.41 N ATOM 1025 CA PHE A 66 -33.140 -19.660 -20.555 1.00 20.44 C ATOM 1026 C PHE A 66 -33.381 -19.605 -19.049 1.00 14.00 C ATOM 1027 O PHE A 66 -33.107 -18.594 -18.401 1.00 20.54 O ATOM 1028 CB PHE A 66 -31.730 -19.159 -20.875 1.00 74.13 C ATOM 1029 CG PHE A 66 -31.401 -19.192 -22.340 1.00 72.24 C ATOM 1030 CD1 PHE A 66 -31.744 -20.288 -23.116 1.00 51.23 C ATOM 1031 CD2 PHE A 66 -30.750 -18.128 -22.942 1.00 5.32 C ATOM 1032 CE1 PHE A 66 -31.442 -20.321 -24.464 1.00 44.05 C ATOM 1033 CE2 PHE A 66 -30.445 -18.155 -24.290 1.00 22.13 C ATOM 1034 CZ PHE A 66 -30.792 -19.253 -25.052 1.00 53.12 C ATOM 0 H PHE A 66 -33.894 -17.882 -21.372 1.00 22.41 H new ATOM 0 HA PHE A 66 -33.234 -20.695 -20.883 1.00 20.44 H new ATOM 0 HB2 PHE A 66 -31.624 -18.137 -20.510 1.00 74.13 H new ATOM 0 HB3 PHE A 66 -31.005 -19.767 -20.334 1.00 74.13 H new ATOM 0 HD1 PHE A 66 -32.253 -21.125 -22.662 1.00 51.23 H new ATOM 0 HD2 PHE A 66 -30.477 -17.266 -22.351 1.00 5.32 H new ATOM 0 HE1 PHE A 66 -31.714 -21.181 -25.058 1.00 44.05 H new ATOM 0 HE2 PHE A 66 -29.936 -17.319 -24.746 1.00 22.13 H new ATOM 0 HZ PHE A 66 -30.556 -19.277 -26.106 1.00 53.12 H new ATOM 1044 N THR A 67 -33.898 -20.699 -18.498 1.00 1.03 N ATOM 1045 CA THR A 67 -34.179 -20.776 -17.070 1.00 5.34 C ATOM 1046 C THR A 67 -32.983 -21.330 -16.303 1.00 70.14 C ATOM 1047 O THR A 67 -33.133 -22.202 -15.448 1.00 13.42 O ATOM 1048 CB THR A 67 -35.409 -21.657 -16.786 1.00 35.15 C ATOM 1049 OG1 THR A 67 -35.371 -22.831 -17.605 1.00 12.12 O ATOM 1050 CG2 THR A 67 -36.697 -20.890 -17.049 1.00 65.23 C ATOM 0 H THR A 67 -34.131 -21.544 -19.020 1.00 1.03 H new ATOM 0 HA THR A 67 -34.384 -19.760 -16.733 1.00 5.34 H new ATOM 0 HB THR A 67 -35.386 -21.947 -15.736 1.00 35.15 H new ATOM 0 HG1 THR A 67 -36.156 -23.387 -17.417 1.00 12.12 H new ATOM 0 HG21 THR A 67 -37.552 -21.533 -16.841 1.00 65.23 H new ATOM 0 HG22 THR A 67 -36.737 -20.013 -16.403 1.00 65.23 H new ATOM 0 HG23 THR A 67 -36.726 -20.574 -18.092 1.00 65.23 H new ATOM 1058 N GLU A 68 -31.797 -20.818 -16.616 1.00 25.40 N ATOM 1059 CA GLU A 68 -30.575 -21.264 -15.955 1.00 53.14 C ATOM 1060 C GLU A 68 -29.707 -20.074 -15.557 1.00 40.12 C ATOM 1061 O GLU A 68 -29.887 -18.965 -16.058 1.00 42.04 O ATOM 1062 CB GLU A 68 -29.786 -22.201 -16.872 1.00 70.01 C ATOM 1063 CG GLU A 68 -30.494 -23.515 -17.154 1.00 72.50 C ATOM 1064 CD GLU A 68 -29.695 -24.424 -18.068 1.00 73.20 C ATOM 1065 OE1 GLU A 68 -28.729 -23.938 -18.692 1.00 72.12 O ATOM 1066 OE2 GLU A 68 -30.037 -25.622 -18.159 1.00 23.14 O ATOM 0 H GLU A 68 -31.656 -20.095 -17.322 1.00 25.40 H new ATOM 0 HA GLU A 68 -30.857 -21.804 -15.051 1.00 53.14 H new ATOM 0 HB2 GLU A 68 -29.592 -21.693 -17.816 1.00 70.01 H new ATOM 0 HB3 GLU A 68 -28.818 -22.410 -16.417 1.00 70.01 H new ATOM 0 HG2 GLU A 68 -30.685 -24.030 -16.212 1.00 72.50 H new ATOM 0 HG3 GLU A 68 -31.464 -23.311 -17.608 1.00 72.50 H new ATOM 1073 N GLY A 69 -28.764 -20.314 -14.651 1.00 12.34 N ATOM 1074 CA GLY A 69 -27.882 -19.253 -14.199 1.00 74.22 C ATOM 1075 C GLY A 69 -26.631 -19.140 -15.047 1.00 0.50 C ATOM 1076 O GLY A 69 -26.426 -19.925 -15.973 1.00 24.24 O ATOM 0 H GLY A 69 -28.595 -21.224 -14.222 1.00 12.34 H new ATOM 0 HA2 GLY A 69 -28.419 -18.305 -14.220 1.00 74.22 H new ATOM 0 HA3 GLY A 69 -27.599 -19.436 -13.162 1.00 74.22 H new ATOM 1080 N CYS A 70 -25.792 -18.158 -14.732 1.00 53.05 N ATOM 1081 CA CYS A 70 -24.555 -17.942 -15.473 1.00 12.21 C ATOM 1082 C CYS A 70 -23.340 -18.272 -14.610 1.00 53.05 C ATOM 1083 O CYS A 70 -22.354 -18.828 -15.096 1.00 15.41 O ATOM 1084 CB CYS A 70 -24.472 -16.493 -15.957 1.00 14.34 C ATOM 1085 SG CYS A 70 -25.276 -16.199 -17.565 1.00 12.43 S ATOM 0 H CYS A 70 -25.947 -17.499 -13.969 1.00 53.05 H new ATOM 0 HA CYS A 70 -24.557 -18.607 -16.337 1.00 12.21 H new ATOM 0 HB2 CYS A 70 -24.930 -15.845 -15.210 1.00 14.34 H new ATOM 0 HB3 CYS A 70 -23.423 -16.205 -16.029 1.00 14.34 H new ATOM 1090 N ILE A 71 -23.419 -17.926 -13.330 1.00 33.30 N ATOM 1091 CA ILE A 71 -22.328 -18.187 -12.400 1.00 64.01 C ATOM 1092 C ILE A 71 -22.126 -19.685 -12.195 1.00 11.42 C ATOM 1093 O ILE A 71 -21.001 -20.153 -12.019 1.00 12.25 O ATOM 1094 CB ILE A 71 -22.581 -17.523 -11.034 1.00 42.50 C ATOM 1095 CG1 ILE A 71 -22.719 -16.007 -11.197 1.00 61.52 C ATOM 1096 CG2 ILE A 71 -21.455 -17.856 -10.066 1.00 74.11 C ATOM 1097 CD1 ILE A 71 -23.594 -15.364 -10.145 1.00 12.33 C ATOM 0 H ILE A 71 -24.227 -17.464 -12.913 1.00 33.30 H new ATOM 0 HA ILE A 71 -21.428 -17.759 -12.842 1.00 64.01 H new ATOM 0 HB ILE A 71 -23.513 -17.912 -10.625 1.00 42.50 H new ATOM 0 HG12 ILE A 71 -21.728 -15.554 -11.160 1.00 61.52 H new ATOM 0 HG13 ILE A 71 -23.132 -15.792 -12.183 1.00 61.52 H new ATOM 0 HG21 ILE A 71 -21.648 -17.379 -9.105 1.00 74.11 H new ATOM 0 HG22 ILE A 71 -21.399 -18.936 -9.931 1.00 74.11 H new ATOM 0 HG23 ILE A 71 -20.510 -17.491 -10.468 1.00 74.11 H new ATOM 0 HD11 ILE A 71 -23.647 -14.290 -10.322 1.00 12.33 H new ATOM 0 HD12 ILE A 71 -24.596 -15.790 -10.195 1.00 12.33 H new ATOM 0 HD13 ILE A 71 -23.171 -15.548 -9.158 1.00 12.33 H new ATOM 1109 N LYS A 72 -23.224 -20.433 -12.221 1.00 0.44 N ATOM 1110 CA LYS A 72 -23.170 -21.879 -12.041 1.00 4.53 C ATOM 1111 C LYS A 72 -22.851 -22.579 -13.358 1.00 31.14 C ATOM 1112 O LYS A 72 -22.191 -23.618 -13.376 1.00 63.05 O ATOM 1113 CB LYS A 72 -24.499 -22.394 -11.485 1.00 21.31 C ATOM 1114 CG LYS A 72 -25.003 -21.609 -10.287 1.00 2.25 C ATOM 1115 CD LYS A 72 -24.132 -21.839 -9.063 1.00 33.24 C ATOM 1116 CE LYS A 72 -24.688 -21.124 -7.841 1.00 3.52 C ATOM 1117 NZ LYS A 72 -23.947 -21.486 -6.601 1.00 63.11 N ATOM 0 H LYS A 72 -24.163 -20.061 -12.365 1.00 0.44 H new ATOM 0 HA LYS A 72 -22.375 -22.103 -11.330 1.00 4.53 H new ATOM 0 HB2 LYS A 72 -25.251 -22.359 -12.274 1.00 21.31 H new ATOM 0 HB3 LYS A 72 -24.383 -23.440 -11.201 1.00 21.31 H new ATOM 0 HG2 LYS A 72 -25.020 -20.546 -10.528 1.00 2.25 H new ATOM 0 HG3 LYS A 72 -26.029 -21.902 -10.065 1.00 2.25 H new ATOM 0 HD2 LYS A 72 -24.062 -22.908 -8.860 1.00 33.24 H new ATOM 0 HD3 LYS A 72 -23.120 -21.486 -9.263 1.00 33.24 H new ATOM 0 HE2 LYS A 72 -24.634 -20.046 -7.995 1.00 3.52 H new ATOM 0 HE3 LYS A 72 -25.742 -21.376 -7.721 1.00 3.52 H new ATOM 0 HZ1 LYS A 72 -24.356 -20.978 -5.791 1.00 63.11 H new ATOM 0 HZ2 LYS A 72 -24.020 -22.511 -6.440 1.00 63.11 H new ATOM 0 HZ3 LYS A 72 -22.946 -21.222 -6.705 1.00 63.11 H new ATOM 1131 N LYS A 73 -23.323 -22.003 -14.458 1.00 74.41 N ATOM 1132 CA LYS A 73 -23.087 -22.570 -15.780 1.00 70.35 C ATOM 1133 C LYS A 73 -21.598 -22.579 -16.110 1.00 62.53 C ATOM 1134 O LYS A 73 -21.072 -23.565 -16.627 1.00 73.44 O ATOM 1135 CB LYS A 73 -23.850 -21.776 -16.842 1.00 54.35 C ATOM 1136 CG LYS A 73 -25.245 -22.311 -17.117 1.00 13.35 C ATOM 1137 CD LYS A 73 -25.214 -23.474 -18.093 1.00 73.41 C ATOM 1138 CE LYS A 73 -25.101 -24.807 -17.369 1.00 33.13 C ATOM 1139 NZ LYS A 73 -25.554 -25.942 -18.221 1.00 3.43 N ATOM 0 H LYS A 73 -23.872 -21.143 -14.460 1.00 74.41 H new ATOM 0 HA LYS A 73 -23.447 -23.599 -15.776 1.00 70.35 H new ATOM 0 HB2 LYS A 73 -23.925 -20.737 -16.522 1.00 54.35 H new ATOM 0 HB3 LYS A 73 -23.278 -21.783 -17.770 1.00 54.35 H new ATOM 0 HG2 LYS A 73 -25.703 -22.632 -16.182 1.00 13.35 H new ATOM 0 HG3 LYS A 73 -25.869 -21.513 -17.520 1.00 13.35 H new ATOM 0 HD2 LYS A 73 -26.119 -23.464 -18.701 1.00 73.41 H new ATOM 0 HD3 LYS A 73 -24.371 -23.356 -18.774 1.00 73.41 H new ATOM 0 HE2 LYS A 73 -24.066 -24.970 -17.068 1.00 33.13 H new ATOM 0 HE3 LYS A 73 -25.698 -24.777 -16.457 1.00 33.13 H new ATOM 0 HZ1 LYS A 73 -25.461 -26.832 -17.691 1.00 3.43 H new ATOM 0 HZ2 LYS A 73 -26.549 -25.800 -18.488 1.00 3.43 H new ATOM 0 HZ3 LYS A 73 -24.968 -25.987 -19.079 1.00 3.43 H new ATOM 1153 N VAL A 74 -20.922 -21.476 -15.807 1.00 11.25 N ATOM 1154 CA VAL A 74 -19.493 -21.358 -16.068 1.00 64.13 C ATOM 1155 C VAL A 74 -18.697 -22.351 -15.228 1.00 44.44 C ATOM 1156 O VAL A 74 -17.734 -22.951 -15.705 1.00 61.34 O ATOM 1157 CB VAL A 74 -18.984 -19.933 -15.778 1.00 74.34 C ATOM 1158 CG1 VAL A 74 -17.484 -19.843 -16.014 1.00 33.12 C ATOM 1159 CG2 VAL A 74 -19.728 -18.918 -16.633 1.00 75.51 C ATOM 0 H VAL A 74 -21.342 -20.650 -15.380 1.00 11.25 H new ATOM 0 HA VAL A 74 -19.346 -21.580 -17.125 1.00 64.13 H new ATOM 0 HB VAL A 74 -19.177 -19.703 -14.730 1.00 74.34 H new ATOM 0 HG11 VAL A 74 -17.143 -18.829 -15.804 1.00 33.12 H new ATOM 0 HG12 VAL A 74 -16.969 -20.543 -15.355 1.00 33.12 H new ATOM 0 HG13 VAL A 74 -17.263 -20.092 -17.052 1.00 33.12 H new ATOM 0 HG21 VAL A 74 -19.356 -17.917 -16.415 1.00 75.51 H new ATOM 0 HG22 VAL A 74 -19.568 -19.143 -17.687 1.00 75.51 H new ATOM 0 HG23 VAL A 74 -20.794 -18.966 -16.410 1.00 75.51 H new ATOM 1169 N SER A 75 -19.105 -22.518 -13.975 1.00 34.12 N ATOM 1170 CA SER A 75 -18.428 -23.436 -13.066 1.00 52.11 C ATOM 1171 C SER A 75 -18.587 -24.879 -13.534 1.00 31.41 C ATOM 1172 O SER A 75 -17.686 -25.701 -13.364 1.00 72.24 O ATOM 1173 CB SER A 75 -18.981 -23.284 -11.648 1.00 13.41 C ATOM 1174 OG SER A 75 -18.260 -24.087 -10.730 1.00 42.01 O ATOM 0 H SER A 75 -19.901 -22.030 -13.565 1.00 34.12 H new ATOM 0 HA SER A 75 -17.367 -23.188 -13.063 1.00 52.11 H new ATOM 0 HB2 SER A 75 -18.926 -22.239 -11.343 1.00 13.41 H new ATOM 0 HB3 SER A 75 -20.034 -23.565 -11.633 1.00 13.41 H new ATOM 0 HG SER A 75 -18.632 -23.971 -9.831 1.00 42.01 H new ATOM 1180 N ASP A 76 -19.739 -25.180 -14.123 1.00 71.11 N ATOM 1181 CA ASP A 76 -20.017 -26.524 -14.617 1.00 15.30 C ATOM 1182 C ASP A 76 -19.027 -26.917 -15.709 1.00 33.33 C ATOM 1183 O ASP A 76 -18.394 -27.971 -15.636 1.00 64.14 O ATOM 1184 CB ASP A 76 -21.447 -26.607 -15.154 1.00 12.22 C ATOM 1185 CG ASP A 76 -21.774 -27.974 -15.721 1.00 70.13 C ATOM 1186 OD1 ASP A 76 -21.377 -28.983 -15.102 1.00 73.22 O ATOM 1187 OD2 ASP A 76 -22.426 -28.035 -16.785 1.00 63.01 O ATOM 0 H ASP A 76 -20.495 -24.512 -14.270 1.00 71.11 H new ATOM 0 HA ASP A 76 -19.908 -27.220 -13.785 1.00 15.30 H new ATOM 0 HB2 ASP A 76 -22.147 -26.372 -14.352 1.00 12.22 H new ATOM 0 HB3 ASP A 76 -21.585 -25.853 -15.929 1.00 12.22 H new ATOM 1192 N LEU A 77 -18.900 -26.065 -16.720 1.00 22.13 N ATOM 1193 CA LEU A 77 -17.987 -26.324 -17.828 1.00 53.10 C ATOM 1194 C LEU A 77 -16.538 -26.119 -17.399 1.00 41.34 C ATOM 1195 O LEU A 77 -15.634 -26.795 -17.889 1.00 24.53 O ATOM 1196 CB LEU A 77 -18.316 -25.409 -19.009 1.00 71.44 C ATOM 1197 CG LEU A 77 -17.779 -23.980 -18.922 1.00 20.43 C ATOM 1198 CD1 LEU A 77 -16.398 -23.889 -19.553 1.00 75.31 C ATOM 1199 CD2 LEU A 77 -18.739 -23.008 -19.591 1.00 40.13 C ATOM 0 H LEU A 77 -19.417 -25.189 -16.796 1.00 22.13 H new ATOM 0 HA LEU A 77 -18.112 -27.362 -18.135 1.00 53.10 H new ATOM 0 HB2 LEU A 77 -17.926 -25.868 -19.918 1.00 71.44 H new ATOM 0 HB3 LEU A 77 -19.400 -25.362 -19.116 1.00 71.44 H new ATOM 0 HG LEU A 77 -17.693 -23.708 -17.870 1.00 20.43 H new ATOM 0 HD11 LEU A 77 -16.032 -22.865 -19.482 1.00 75.31 H new ATOM 0 HD12 LEU A 77 -15.714 -24.556 -19.029 1.00 75.31 H new ATOM 0 HD13 LEU A 77 -16.457 -24.181 -20.602 1.00 75.31 H new ATOM 0 HD21 LEU A 77 -18.341 -21.996 -19.519 1.00 40.13 H new ATOM 0 HD22 LEU A 77 -18.858 -23.278 -20.640 1.00 40.13 H new ATOM 0 HD23 LEU A 77 -19.708 -23.053 -19.093 1.00 40.13 H new ATOM 1211 N SER A 78 -16.325 -25.182 -16.481 1.00 2.21 N ATOM 1212 CA SER A 78 -14.985 -24.886 -15.987 1.00 61.30 C ATOM 1213 C SER A 78 -14.365 -26.115 -15.329 1.00 33.22 C ATOM 1214 O SER A 78 -13.191 -26.421 -15.538 1.00 73.34 O ATOM 1215 CB SER A 78 -15.030 -23.728 -14.989 1.00 54.51 C ATOM 1216 OG SER A 78 -13.843 -23.671 -14.218 1.00 64.43 O ATOM 0 H SER A 78 -17.063 -24.615 -16.064 1.00 2.21 H new ATOM 0 HA SER A 78 -14.367 -24.599 -16.838 1.00 61.30 H new ATOM 0 HB2 SER A 78 -15.165 -22.788 -15.524 1.00 54.51 H new ATOM 0 HB3 SER A 78 -15.890 -23.846 -14.330 1.00 54.51 H new ATOM 0 HG SER A 78 -13.897 -22.921 -13.589 1.00 64.43 H new ATOM 1222 N LYS A 79 -15.163 -26.817 -14.531 1.00 12.21 N ATOM 1223 CA LYS A 79 -14.696 -28.014 -13.841 1.00 53.44 C ATOM 1224 C LYS A 79 -15.427 -29.253 -14.348 1.00 23.21 C ATOM 1225 O LYS A 79 -15.634 -30.211 -13.603 1.00 40.41 O ATOM 1226 CB LYS A 79 -14.901 -27.870 -12.332 1.00 4.35 C ATOM 1227 CG LYS A 79 -13.922 -26.912 -11.674 1.00 20.21 C ATOM 1228 CD LYS A 79 -13.860 -27.123 -10.170 1.00 73.34 C ATOM 1229 CE LYS A 79 -15.011 -26.426 -9.462 1.00 13.31 C ATOM 1230 NZ LYS A 79 -16.229 -27.281 -9.408 1.00 53.31 N ATOM 0 H LYS A 79 -16.137 -26.577 -14.346 1.00 12.21 H new ATOM 0 HA LYS A 79 -13.632 -28.131 -14.047 1.00 53.44 H new ATOM 0 HB2 LYS A 79 -15.917 -27.524 -12.143 1.00 4.35 H new ATOM 0 HB3 LYS A 79 -14.806 -28.851 -11.866 1.00 4.35 H new ATOM 0 HG2 LYS A 79 -12.930 -27.053 -12.103 1.00 20.21 H new ATOM 0 HG3 LYS A 79 -14.218 -25.885 -11.886 1.00 20.21 H new ATOM 0 HD2 LYS A 79 -13.889 -28.190 -9.950 1.00 73.34 H new ATOM 0 HD3 LYS A 79 -12.913 -26.744 -9.787 1.00 73.34 H new ATOM 0 HE2 LYS A 79 -14.708 -26.162 -8.449 1.00 13.31 H new ATOM 0 HE3 LYS A 79 -15.244 -25.495 -9.978 1.00 13.31 H new ATOM 0 HZ1 LYS A 79 -17.025 -26.780 -9.853 1.00 53.31 H new ATOM 0 HZ2 LYS A 79 -16.052 -28.170 -9.917 1.00 53.31 H new ATOM 0 HZ3 LYS A 79 -16.463 -27.490 -8.416 1.00 53.31 H new ATOM 1244 N ALA A 80 -15.813 -29.229 -15.619 1.00 51.43 N ATOM 1245 CA ALA A 80 -16.517 -30.352 -16.226 1.00 2.23 C ATOM 1246 C ALA A 80 -15.609 -31.572 -16.339 1.00 51.21 C ATOM 1247 O ALA A 80 -14.423 -31.449 -16.649 1.00 35.51 O ATOM 1248 CB ALA A 80 -17.053 -29.961 -17.595 1.00 60.41 C ATOM 0 H ALA A 80 -15.650 -28.444 -16.249 1.00 51.43 H new ATOM 0 HA ALA A 80 -17.356 -30.615 -15.582 1.00 2.23 H new ATOM 0 HB1 ALA A 80 -17.576 -30.809 -18.037 1.00 60.41 H new ATOM 0 HB2 ALA A 80 -17.743 -29.124 -17.490 1.00 60.41 H new ATOM 0 HB3 ALA A 80 -16.224 -29.670 -18.241 1.00 60.41 H new ATOM 1254 N HIS A 81 -16.173 -32.749 -16.085 1.00 43.35 N ATOM 1255 CA HIS A 81 -15.413 -33.992 -16.159 1.00 52.21 C ATOM 1256 C HIS A 81 -16.088 -34.986 -17.100 1.00 1.24 C ATOM 1257 O HIS A 81 -15.946 -36.199 -16.941 1.00 52.22 O ATOM 1258 CB HIS A 81 -15.266 -34.608 -14.767 1.00 53.44 C ATOM 1259 CG HIS A 81 -14.236 -33.929 -13.918 1.00 30.21 C ATOM 1260 ND1 HIS A 81 -14.334 -33.838 -12.546 1.00 3.25 N ATOM 1261 CD2 HIS A 81 -13.081 -33.309 -14.254 1.00 1.34 C ATOM 1262 CE1 HIS A 81 -13.284 -33.189 -12.074 1.00 11.11 C ATOM 1263 NE2 HIS A 81 -12.508 -32.857 -13.090 1.00 32.30 N ATOM 0 H HIS A 81 -17.152 -32.868 -15.826 1.00 43.35 H new ATOM 0 HA HIS A 81 -14.423 -33.761 -16.552 1.00 52.21 H new ATOM 0 HB2 HIS A 81 -16.229 -34.568 -14.257 1.00 53.44 H new ATOM 0 HB3 HIS A 81 -15.003 -35.661 -14.870 1.00 53.44 H new ATOM 0 HD2 HIS A 81 -12.684 -33.191 -15.251 1.00 1.34 H new ATOM 0 HE1 HIS A 81 -13.093 -32.968 -11.034 1.00 11.11 H new ATOM 0 HE2 HIS A 81 -11.627 -32.348 -13.022 1.00 32.30 H new TER 1272 HIS A 81