USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 796 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 40 LYS NZ :NH3+ -176:sc= 0.994 (180deg=0.731) USER MOD Set 1.2: A 67 THR OG1 : rot 85:sc= 1.15 USER MOD Set 1.3: A 72 TYR OH : rot 1:sc= -3.24! USER MOD Set 2.1: A 36 TYR OH : rot -125:sc= -0.0533 USER MOD Set 2.2: A 59 ASN : amide:sc= -1.22 X(o=-1.3,f=-1.2!) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 55 ASN : amide:sc= 0 K(o=0,f=0.7) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= -1.59! USER MOD Set 4.2: A 62 THR OG1 : rot -94:sc= 0.209 USER MOD Set 5.1: A 14 THR OG1 : rot 84:sc= 1.04 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.14) USER MOD Single : A 12 ASN : amide:sc= -0.849 K(o=-0.85,f=-0.14) USER MOD Single : A 16 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-9.9!) USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= -0.854 (180deg=-2.23!) USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 1.18 (180deg=-0.683) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -86:sc= 0.996 USER MOD Single : A 45 ASN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.061) USER MOD Single : A 52 ASN : amide:sc= -7.48! C(o=-7.5!,f=-5.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.64! C(o=-8.6!,f=-11!) USER MOD Single : A 86 SER OG : rot -103:sc= 0.969 USER MOD Single : A 89 SER OG : rot 180:sc= -2.36! USER MOD Single : A 92 SER OG : rot -53:sc= -1.88! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 131:sc= -9.14! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.468 -4.578 -4.820 1.00 2.05 N ATOM 2 CA SER A 0 -24.466 -3.656 -4.223 1.00 1.55 C ATOM 3 C SER A 0 -23.039 -4.159 -4.447 1.00 1.39 C ATOM 4 O SER A 0 -22.592 -5.097 -3.788 1.00 1.50 O ATOM 5 CB SER A 0 -24.748 -3.536 -2.724 1.00 2.08 C ATOM 6 OG SER A 0 -25.339 -2.285 -2.415 1.00 2.74 O ATOM 0 H1 SER A 0 -26.425 -4.208 -4.650 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.303 -4.654 -5.844 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.378 -5.518 -4.384 1.00 2.05 H new ATOM 0 HA SER A 0 -24.550 -2.682 -4.706 1.00 1.55 H new ATOM 0 HB2 SER A 0 -25.411 -4.342 -2.410 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.819 -3.651 -2.166 1.00 2.08 H new ATOM 0 HG SER A 0 -25.511 -2.234 -1.452 1.00 2.74 H new ATOM 12 N PRO A 1 -22.302 -3.537 -5.386 1.00 1.23 N ATOM 13 CA PRO A 1 -20.932 -3.906 -5.704 1.00 1.19 C ATOM 14 C PRO A 1 -19.922 -3.070 -4.927 1.00 1.24 C ATOM 15 O PRO A 1 -20.275 -2.404 -3.954 1.00 2.06 O ATOM 16 CB PRO A 1 -20.843 -3.593 -7.201 1.00 1.18 C ATOM 17 CG PRO A 1 -21.925 -2.587 -7.482 1.00 1.26 C ATOM 18 CD PRO A 1 -22.737 -2.417 -6.219 1.00 1.24 C ATOM 0 HA PRO A 1 -20.704 -4.941 -5.448 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.862 -3.192 -7.458 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.985 -4.495 -7.797 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.491 -1.635 -7.788 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.559 -2.927 -8.301 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.539 -1.458 -5.739 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.807 -2.458 -6.420 1.00 1.24 H new ATOM 26 N ILE A 2 -18.665 -3.099 -5.361 1.00 0.68 N ATOM 27 CA ILE A 2 -17.624 -2.329 -4.694 1.00 0.61 C ATOM 28 C ILE A 2 -16.371 -2.199 -5.557 1.00 0.57 C ATOM 29 O ILE A 2 -16.054 -3.079 -6.357 1.00 0.63 O ATOM 30 CB ILE A 2 -17.244 -2.948 -3.331 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.137 -2.124 -2.657 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.808 -4.396 -3.504 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.542 -2.779 -1.432 1.00 0.56 C ATOM 0 H ILE A 2 -18.346 -3.642 -6.163 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.038 -1.335 -4.528 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.123 -2.932 -2.687 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.343 -1.941 -3.381 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.542 -1.152 -2.376 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.544 -4.815 -2.533 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.625 -4.973 -3.938 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.942 -4.439 -4.165 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.768 -2.135 -1.015 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.323 -2.937 -0.688 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.105 -3.739 -1.708 1.00 0.56 H new ATOM 45 N ASP A 3 -15.661 -1.092 -5.369 1.00 0.55 N ATOM 46 CA ASP A 3 -14.432 -0.824 -6.101 1.00 0.54 C ATOM 47 C ASP A 3 -13.305 -0.530 -5.116 1.00 0.47 C ATOM 48 O ASP A 3 -13.500 0.196 -4.141 1.00 0.49 O ATOM 49 CB ASP A 3 -14.624 0.363 -7.047 1.00 0.61 C ATOM 50 CG ASP A 3 -15.211 -0.049 -8.382 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.215 -0.791 -8.386 1.00 1.64 O ATOM 52 OD2 ASP A 3 -14.669 0.373 -9.426 1.00 2.00 O ATOM 0 H ASP A 3 -15.921 -0.360 -4.708 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.174 -1.701 -6.694 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.279 1.096 -6.576 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.664 0.852 -7.211 1.00 0.61 H new ATOM 57 N PRO A 4 -12.111 -1.094 -5.345 1.00 0.44 N ATOM 58 CA PRO A 4 -10.968 -0.884 -4.459 1.00 0.41 C ATOM 59 C PRO A 4 -10.268 0.448 -4.717 1.00 0.38 C ATOM 60 O PRO A 4 -10.441 1.057 -5.774 1.00 0.43 O ATOM 61 CB PRO A 4 -10.061 -2.059 -4.797 1.00 0.45 C ATOM 62 CG PRO A 4 -10.325 -2.324 -6.240 1.00 0.50 C ATOM 63 CD PRO A 4 -11.777 -1.981 -6.475 1.00 0.50 C ATOM 0 HA PRO A 4 -11.255 -0.839 -3.408 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.013 -1.816 -4.622 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.293 -2.930 -4.184 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.675 -1.718 -6.872 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.127 -3.367 -6.486 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.921 -1.481 -7.433 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.403 -2.873 -6.483 1.00 0.50 H new ATOM 71 N PRO A 5 -9.471 0.922 -3.745 1.00 0.37 N ATOM 72 CA PRO A 5 -8.747 2.194 -3.858 1.00 0.39 C ATOM 73 C PRO A 5 -7.883 2.282 -5.113 1.00 0.38 C ATOM 74 O PRO A 5 -7.603 1.277 -5.764 1.00 0.47 O ATOM 75 CB PRO A 5 -7.869 2.218 -2.603 1.00 0.46 C ATOM 76 CG PRO A 5 -8.582 1.345 -1.632 1.00 0.71 C ATOM 77 CD PRO A 5 -9.218 0.260 -2.452 1.00 0.43 C ATOM 0 HA PRO A 5 -9.434 3.037 -3.937 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.867 1.843 -2.812 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.756 3.231 -2.217 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.891 0.928 -0.900 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.333 1.908 -1.077 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.559 -0.601 -2.562 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.140 -0.101 -1.997 1.00 0.43 H new ATOM 85 N GLY A 6 -7.465 3.502 -5.436 1.00 0.37 N ATOM 86 CA GLY A 6 -6.633 3.727 -6.603 1.00 0.39 C ATOM 87 C GLY A 6 -5.269 3.075 -6.470 1.00 0.42 C ATOM 88 O GLY A 6 -4.895 2.621 -5.389 1.00 0.66 O ATOM 0 H GLY A 6 -7.690 4.344 -4.906 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.136 3.335 -7.487 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.508 4.799 -6.757 1.00 0.39 H new ATOM 92 N LYS A 7 -4.522 3.035 -7.570 1.00 0.41 N ATOM 93 CA LYS A 7 -3.188 2.441 -7.566 1.00 0.44 C ATOM 94 C LYS A 7 -2.234 3.301 -6.740 1.00 0.37 C ATOM 95 O LYS A 7 -2.126 4.504 -6.971 1.00 0.42 O ATOM 96 CB LYS A 7 -2.665 2.306 -8.997 1.00 0.54 C ATOM 97 CG LYS A 7 -1.254 1.750 -9.077 1.00 0.64 C ATOM 98 CD LYS A 7 -0.518 2.266 -10.302 1.00 1.01 C ATOM 99 CE LYS A 7 0.979 2.029 -10.192 1.00 0.95 C ATOM 100 NZ LYS A 7 1.651 3.087 -9.389 1.00 1.52 N ATOM 0 H LYS A 7 -4.817 3.406 -8.473 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.248 1.449 -7.119 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.335 1.657 -9.560 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.689 3.284 -9.478 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.703 2.025 -8.178 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.293 0.661 -9.107 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.901 1.770 -11.194 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.711 3.332 -10.422 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.160 1.056 -9.735 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.416 1.998 -11.190 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.668 2.880 -9.324 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.515 4.010 -9.848 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.241 3.111 -8.434 1.00 1.52 H new ATOM 114 N PRO A 8 -1.534 2.709 -5.754 1.00 0.34 N ATOM 115 CA PRO A 8 -0.603 3.455 -4.895 1.00 0.32 C ATOM 116 C PRO A 8 0.568 4.063 -5.656 1.00 0.33 C ATOM 117 O PRO A 8 0.984 3.558 -6.700 1.00 0.44 O ATOM 118 CB PRO A 8 -0.089 2.396 -3.912 1.00 0.39 C ATOM 119 CG PRO A 8 -1.126 1.334 -3.944 1.00 0.44 C ATOM 120 CD PRO A 8 -1.587 1.282 -5.372 1.00 0.41 C ATOM 0 HA PRO A 8 -1.102 4.302 -4.425 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.885 2.011 -4.215 1.00 0.39 H new ATOM 0 HB3 PRO A 8 0.029 2.807 -2.909 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.718 0.375 -3.626 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -1.951 1.568 -3.271 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.934 0.668 -5.991 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.592 0.870 -5.463 1.00 0.41 H new ATOM 128 N VAL A 9 1.098 5.147 -5.106 1.00 0.34 N ATOM 129 CA VAL A 9 2.232 5.845 -5.696 1.00 0.38 C ATOM 130 C VAL A 9 3.057 6.498 -4.599 1.00 0.34 C ATOM 131 O VAL A 9 2.730 7.595 -4.139 1.00 0.35 O ATOM 132 CB VAL A 9 1.779 6.928 -6.693 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.923 7.310 -7.621 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.571 6.458 -7.487 1.00 1.09 C ATOM 0 H VAL A 9 0.755 5.566 -4.241 1.00 0.34 H new ATOM 0 HA VAL A 9 2.829 5.109 -6.236 1.00 0.38 H new ATOM 0 HB VAL A 9 1.487 7.814 -6.129 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.585 8.076 -8.319 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.755 7.697 -7.033 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.249 6.431 -8.177 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.268 7.239 -8.185 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.829 5.556 -8.041 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.251 6.242 -6.805 1.00 1.09 H new ATOM 144 N PRO A 10 4.130 5.832 -4.142 1.00 0.34 N ATOM 145 CA PRO A 10 4.972 6.357 -3.086 1.00 0.32 C ATOM 146 C PRO A 10 5.224 7.859 -3.207 1.00 0.37 C ATOM 147 O PRO A 10 5.809 8.319 -4.187 1.00 0.64 O ATOM 148 CB PRO A 10 6.272 5.600 -3.252 1.00 0.38 C ATOM 149 CG PRO A 10 5.883 4.290 -3.844 1.00 0.39 C ATOM 150 CD PRO A 10 4.593 4.511 -4.602 1.00 0.42 C ATOM 0 HA PRO A 10 4.502 6.229 -2.111 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.961 6.138 -3.903 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.776 5.466 -2.295 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.663 3.921 -4.510 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.748 3.540 -3.065 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.756 4.498 -5.680 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.862 3.733 -4.381 1.00 0.42 H new ATOM 158 N LEU A 11 4.800 8.615 -2.201 1.00 0.34 N ATOM 159 CA LEU A 11 5.002 10.050 -2.187 1.00 0.43 C ATOM 160 C LEU A 11 6.394 10.339 -1.622 1.00 0.43 C ATOM 161 O LEU A 11 7.026 11.342 -1.951 1.00 0.57 O ATOM 162 CB LEU A 11 3.866 10.719 -1.384 1.00 0.56 C ATOM 163 CG LEU A 11 4.252 11.470 -0.108 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.881 12.808 -0.456 1.00 1.64 C ATOM 165 CD2 LEU A 11 3.025 11.657 0.774 1.00 1.12 C ATOM 0 H LEU A 11 4.312 8.251 -1.383 1.00 0.34 H new ATOM 0 HA LEU A 11 4.962 10.470 -3.192 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.354 11.419 -2.044 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.144 9.948 -1.115 1.00 0.56 H new ATOM 0 HG LEU A 11 4.987 10.885 0.444 1.00 0.92 H new ATOM 0 HD11 LEU A 11 5.151 13.332 0.461 1.00 1.64 H new ATOM 0 HD12 LEU A 11 5.775 12.644 -1.057 1.00 1.64 H new ATOM 0 HD13 LEU A 11 4.169 13.409 -1.021 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.307 12.192 1.681 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.272 12.230 0.233 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.616 10.682 1.040 1.00 1.12 H new ATOM 177 N ASN A 12 6.867 9.413 -0.789 1.00 0.34 N ATOM 178 CA ASN A 12 8.185 9.491 -0.182 1.00 0.36 C ATOM 179 C ASN A 12 8.696 8.069 -0.005 1.00 0.37 C ATOM 180 O ASN A 12 7.898 7.145 0.105 1.00 0.58 O ATOM 181 CB ASN A 12 8.137 10.218 1.163 1.00 0.42 C ATOM 182 CG ASN A 12 9.520 10.558 1.682 1.00 0.58 C ATOM 183 OD1 ASN A 12 9.986 11.689 1.549 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.183 9.574 2.278 1.00 0.71 N ATOM 0 H ASN A 12 6.339 8.584 -0.518 1.00 0.34 H new ATOM 0 HA ASN A 12 8.855 10.062 -0.825 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.555 11.134 1.058 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.621 9.594 1.893 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.119 9.741 2.648 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.757 8.652 2.366 1.00 0.71 H new ATOM 191 N ILE A 13 10.006 7.875 0.005 1.00 0.38 N ATOM 192 CA ILE A 13 10.546 6.526 0.153 1.00 0.43 C ATOM 193 C ILE A 13 11.872 6.515 0.905 1.00 0.53 C ATOM 194 O ILE A 13 12.763 7.320 0.631 1.00 0.75 O ATOM 195 CB ILE A 13 10.739 5.838 -1.219 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.142 6.859 -2.292 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.471 5.099 -1.629 1.00 0.53 C ATOM 198 CD1 ILE A 13 9.997 7.720 -2.784 1.00 0.96 C ATOM 0 H ILE A 13 10.704 8.614 -0.085 1.00 0.38 H new ATOM 0 HA ILE A 13 9.811 5.971 0.735 1.00 0.43 H new ATOM 0 HB ILE A 13 11.546 5.112 -1.125 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.922 7.505 -1.889 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.574 6.328 -3.140 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.625 4.621 -2.596 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.235 4.340 -0.883 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.645 5.806 -1.701 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.363 8.415 -3.540 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.225 7.085 -3.218 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.578 8.280 -1.948 1.00 0.96 H new ATOM 210 N THR A 14 11.998 5.586 1.851 1.00 0.59 N ATOM 211 CA THR A 14 13.217 5.453 2.640 1.00 0.71 C ATOM 212 C THR A 14 13.493 3.993 2.990 1.00 0.79 C ATOM 213 O THR A 14 12.574 3.196 3.177 1.00 1.46 O ATOM 214 CB THR A 14 13.157 6.297 3.915 1.00 0.75 C ATOM 215 OG1 THR A 14 11.903 6.943 4.039 1.00 0.69 O ATOM 216 CG2 THR A 14 14.226 7.366 3.971 1.00 0.94 C ATOM 0 H THR A 14 11.268 4.914 2.089 1.00 0.59 H new ATOM 0 HA THR A 14 14.037 5.823 2.024 1.00 0.71 H new ATOM 0 HB THR A 14 13.318 5.593 4.731 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.256 6.327 4.442 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.129 7.929 4.899 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.210 6.899 3.931 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.110 8.041 3.123 1.00 0.94 H new ATOM 224 N ARG A 15 14.779 3.677 3.060 1.00 0.66 N ATOM 225 CA ARG A 15 15.289 2.331 3.367 1.00 0.67 C ATOM 226 C ARG A 15 14.306 1.456 4.171 1.00 0.71 C ATOM 227 O ARG A 15 14.090 0.297 3.818 1.00 1.19 O ATOM 228 CB ARG A 15 16.619 2.434 4.131 1.00 0.80 C ATOM 229 CG ARG A 15 17.516 3.581 3.713 1.00 0.96 C ATOM 230 CD ARG A 15 17.386 4.748 4.680 1.00 1.13 C ATOM 231 NE ARG A 15 18.326 5.822 4.375 1.00 1.43 N ATOM 232 CZ ARG A 15 18.368 6.974 5.037 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.525 7.201 6.036 1.00 1.90 N ATOM 234 NH2 ARG A 15 19.253 7.901 4.699 1.00 2.42 N ATOM 0 H ARG A 15 15.521 4.359 2.903 1.00 0.66 H new ATOM 0 HA ARG A 15 15.430 1.839 2.405 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.402 2.533 5.195 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.167 1.500 4.003 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.552 3.245 3.679 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.253 3.906 2.706 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.368 5.137 4.644 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.557 4.396 5.697 1.00 1.13 H new ATOM 0 HE ARG A 15 18.987 5.681 3.611 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.842 6.490 6.298 1.00 1.90 H new ATOM 0 HH12 ARG A 15 17.560 8.086 6.542 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.902 7.731 3.931 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.285 8.785 5.207 1.00 2.42 H new ATOM 248 N HIS A 16 13.727 1.988 5.251 1.00 0.50 N ATOM 249 CA HIS A 16 12.795 1.197 6.074 1.00 0.54 C ATOM 250 C HIS A 16 11.472 1.916 6.320 1.00 0.57 C ATOM 251 O HIS A 16 10.757 1.597 7.271 1.00 0.97 O ATOM 252 CB HIS A 16 13.438 0.850 7.421 1.00 0.67 C ATOM 253 CG HIS A 16 14.417 -0.281 7.358 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.167 -1.543 7.851 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.672 -0.323 6.846 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.253 -2.295 7.629 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.196 -1.602 7.021 1.00 0.86 N ATOM 0 H HIS A 16 13.880 2.943 5.575 1.00 0.50 H new ATOM 0 HA HIS A 16 12.580 0.287 5.513 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.945 1.734 7.808 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.652 0.597 8.132 1.00 0.67 H new ATOM 0 HD1 HIS A 16 13.307 -1.850 8.305 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.184 0.504 6.377 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.344 -3.333 7.911 1.00 1.02 H new ATOM 265 N THR A 17 11.138 2.866 5.463 1.00 0.43 N ATOM 266 CA THR A 17 9.887 3.605 5.593 1.00 0.42 C ATOM 267 C THR A 17 9.557 4.300 4.286 1.00 0.38 C ATOM 268 O THR A 17 10.282 5.191 3.856 1.00 0.56 O ATOM 269 CB THR A 17 9.977 4.640 6.718 1.00 0.56 C ATOM 270 OG1 THR A 17 11.106 5.475 6.542 1.00 0.65 O ATOM 271 CG2 THR A 17 10.068 4.028 8.100 1.00 0.68 C ATOM 0 H THR A 17 11.713 3.146 4.669 1.00 0.43 H new ATOM 0 HA THR A 17 9.097 2.895 5.838 1.00 0.42 H new ATOM 0 HB THR A 17 9.049 5.209 6.656 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.145 6.130 7.270 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.129 4.821 8.846 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.183 3.420 8.288 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.958 3.402 8.163 1.00 0.68 H new ATOM 279 N VAL A 18 8.473 3.893 3.639 1.00 0.27 N ATOM 280 CA VAL A 18 8.111 4.510 2.376 1.00 0.33 C ATOM 281 C VAL A 18 6.660 4.981 2.336 1.00 0.32 C ATOM 282 O VAL A 18 5.722 4.210 2.512 1.00 0.51 O ATOM 283 CB VAL A 18 8.417 3.589 1.171 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.836 3.040 1.245 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.417 2.472 0.997 1.00 0.80 C ATOM 0 H VAL A 18 7.844 3.157 3.960 1.00 0.27 H new ATOM 0 HA VAL A 18 8.739 5.397 2.295 1.00 0.33 H new ATOM 0 HB VAL A 18 8.328 4.218 0.285 1.00 0.44 H new ATOM 0 HG11 VAL A 18 10.022 2.396 0.385 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.547 3.867 1.240 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.956 2.464 2.162 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.694 1.867 0.134 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.410 1.848 1.891 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.424 2.894 0.841 1.00 0.80 H new ATOM 295 N THR A 19 6.493 6.275 2.097 1.00 0.27 N ATOM 296 CA THR A 19 5.172 6.873 2.021 1.00 0.24 C ATOM 297 C THR A 19 4.569 6.665 0.648 1.00 0.22 C ATOM 298 O THR A 19 5.296 6.620 -0.336 1.00 0.34 O ATOM 299 CB THR A 19 5.227 8.365 2.302 1.00 0.28 C ATOM 300 OG1 THR A 19 5.658 8.622 3.628 1.00 0.35 O ATOM 301 CG2 THR A 19 3.887 9.032 2.104 1.00 0.32 C ATOM 0 H THR A 19 7.261 6.931 1.952 1.00 0.27 H new ATOM 0 HA THR A 19 4.555 6.385 2.776 1.00 0.24 H new ATOM 0 HB THR A 19 5.940 8.778 1.589 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.686 9.590 3.781 1.00 0.35 H new ATOM 0 HG21 THR A 19 3.976 10.097 2.316 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.560 8.894 1.073 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.156 8.587 2.779 1.00 0.32 H new ATOM 309 N LEU A 20 3.237 6.558 0.607 1.00 0.28 N ATOM 310 CA LEU A 20 2.505 6.361 -0.640 1.00 0.26 C ATOM 311 C LEU A 20 1.111 6.963 -0.560 1.00 0.28 C ATOM 312 O LEU A 20 0.486 6.990 0.503 1.00 0.40 O ATOM 313 CB LEU A 20 2.403 4.874 -1.001 1.00 0.33 C ATOM 314 CG LEU A 20 3.111 3.900 -0.059 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.193 2.749 0.294 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.393 3.410 -0.701 1.00 0.50 C ATOM 0 H LEU A 20 2.642 6.606 1.434 1.00 0.28 H new ATOM 0 HA LEU A 20 3.066 6.872 -1.422 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.348 4.603 -1.044 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.808 4.736 -2.004 1.00 0.33 H new ATOM 0 HG LEU A 20 3.368 4.413 0.868 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.710 2.064 0.965 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.300 3.134 0.786 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.907 2.220 -0.615 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.895 2.716 -0.027 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.160 2.902 -1.637 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.047 4.259 -0.901 1.00 0.50 H new ATOM 328 N LYS A 21 0.634 7.441 -1.702 1.00 0.25 N ATOM 329 CA LYS A 21 -0.689 8.045 -1.788 1.00 0.31 C ATOM 330 C LYS A 21 -1.488 7.435 -2.939 1.00 0.31 C ATOM 331 O LYS A 21 -0.909 6.982 -3.928 1.00 0.51 O ATOM 332 CB LYS A 21 -0.567 9.557 -1.988 1.00 0.40 C ATOM 333 CG LYS A 21 -1.883 10.296 -1.824 1.00 0.81 C ATOM 334 CD LYS A 21 -2.534 9.967 -0.491 1.00 0.95 C ATOM 335 CE LYS A 21 -3.797 10.785 -0.264 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.492 12.207 0.059 1.00 1.84 N ATOM 0 H LYS A 21 1.146 7.422 -2.584 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.215 7.848 -0.854 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.155 9.953 -1.274 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.171 9.753 -2.984 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.711 11.370 -1.893 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.558 10.028 -2.637 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.777 8.905 -0.457 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -1.827 10.158 0.316 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.422 10.742 -1.156 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.373 10.344 0.550 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.068 12.510 0.871 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.484 12.301 0.295 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.712 12.805 -0.763 1.00 1.84 H new ATOM 350 N TRP A 22 -2.816 7.426 -2.813 1.00 0.25 N ATOM 351 CA TRP A 22 -3.664 6.869 -3.861 1.00 0.24 C ATOM 352 C TRP A 22 -5.031 7.548 -3.918 1.00 0.24 C ATOM 353 O TRP A 22 -5.312 8.474 -3.158 1.00 0.40 O ATOM 354 CB TRP A 22 -3.830 5.361 -3.685 1.00 0.27 C ATOM 355 CG TRP A 22 -4.421 4.940 -2.374 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.738 4.720 -2.102 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.712 4.667 -1.164 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.892 4.334 -0.793 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.662 4.294 -0.195 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.365 4.706 -0.807 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.306 3.960 1.110 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.011 4.373 0.485 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.977 4.005 1.431 1.00 0.32 C ATOM 0 H TRP A 22 -3.320 7.794 -2.006 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.161 7.061 -4.809 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.461 4.983 -4.489 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.855 4.887 -3.796 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.544 4.833 -2.812 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.779 4.113 -0.340 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.613 4.991 -1.528 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.050 3.677 1.840 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.970 4.397 0.772 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.666 3.752 2.434 1.00 0.32 H new ATOM 374 N ALA A 23 -5.872 7.079 -4.840 1.00 0.31 N ATOM 375 CA ALA A 23 -7.211 7.633 -5.026 1.00 0.33 C ATOM 376 C ALA A 23 -8.280 6.736 -4.411 1.00 0.36 C ATOM 377 O ALA A 23 -8.041 5.564 -4.143 1.00 0.83 O ATOM 378 CB ALA A 23 -7.486 7.824 -6.510 1.00 0.36 C ATOM 0 H ALA A 23 -5.646 6.312 -5.473 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.251 8.596 -4.517 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.486 8.237 -6.645 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.750 8.509 -6.931 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.419 6.862 -7.019 1.00 0.36 H new ATOM 384 N LYS A 24 -9.464 7.293 -4.193 1.00 0.59 N ATOM 385 CA LYS A 24 -10.563 6.530 -3.613 1.00 0.61 C ATOM 386 C LYS A 24 -11.512 6.025 -4.703 1.00 0.59 C ATOM 387 O LYS A 24 -11.619 6.628 -5.771 1.00 0.69 O ATOM 388 CB LYS A 24 -11.323 7.380 -2.594 1.00 0.74 C ATOM 389 CG LYS A 24 -11.995 8.601 -3.197 1.00 1.21 C ATOM 390 CD LYS A 24 -13.412 8.284 -3.631 1.00 1.22 C ATOM 391 CE LYS A 24 -13.853 9.160 -4.792 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.346 8.654 -6.097 1.00 2.11 N ATOM 0 H LYS A 24 -9.688 8.265 -4.407 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.143 5.664 -3.101 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -12.079 6.762 -2.110 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.631 7.704 -1.816 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.007 9.411 -2.468 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.419 8.952 -4.053 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.478 7.235 -3.921 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -14.091 8.426 -2.790 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.942 9.205 -4.819 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.496 10.178 -4.634 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -12.656 9.328 -6.486 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -12.888 7.731 -5.957 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.140 8.549 -6.761 1.00 2.11 H new ATOM 406 N PRO A 25 -12.208 4.901 -4.445 1.00 0.56 N ATOM 407 CA PRO A 25 -13.146 4.300 -5.407 1.00 0.63 C ATOM 408 C PRO A 25 -14.226 5.265 -5.889 1.00 0.75 C ATOM 409 O PRO A 25 -14.751 6.068 -5.122 1.00 0.89 O ATOM 410 CB PRO A 25 -13.778 3.137 -4.633 1.00 0.63 C ATOM 411 CG PRO A 25 -13.438 3.382 -3.199 1.00 0.71 C ATOM 412 CD PRO A 25 -12.131 4.118 -3.205 1.00 0.58 C ATOM 0 HA PRO A 25 -12.626 3.996 -6.315 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.857 3.107 -4.781 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.383 2.179 -4.972 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.214 3.969 -2.709 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.355 2.443 -2.652 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.022 4.757 -2.329 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.282 3.435 -3.209 1.00 0.58 H new ATOM 420 N GLU A 26 -14.556 5.173 -7.174 1.00 0.85 N ATOM 421 CA GLU A 26 -15.572 6.035 -7.770 1.00 1.05 C ATOM 422 C GLU A 26 -16.985 5.512 -7.524 1.00 0.95 C ATOM 423 O GLU A 26 -17.963 6.187 -7.846 1.00 1.12 O ATOM 424 CB GLU A 26 -15.329 6.177 -9.275 1.00 1.29 C ATOM 425 CG GLU A 26 -13.865 6.354 -9.645 1.00 1.83 C ATOM 426 CD GLU A 26 -13.569 7.732 -10.206 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.141 8.079 -11.261 1.00 2.77 O ATOM 428 OE2 GLU A 26 -12.765 8.463 -9.592 1.00 2.53 O ATOM 0 H GLU A 26 -14.134 4.509 -7.823 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.490 7.010 -7.290 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.718 5.294 -9.782 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.894 7.032 -9.646 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.248 6.184 -8.763 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.586 5.599 -10.380 1.00 1.83 H new ATOM 435 N TYR A 27 -17.099 4.313 -6.959 1.00 0.85 N ATOM 436 CA TYR A 27 -18.408 3.735 -6.690 1.00 0.84 C ATOM 437 C TYR A 27 -18.485 3.144 -5.287 1.00 0.86 C ATOM 438 O TYR A 27 -19.227 3.643 -4.440 1.00 1.37 O ATOM 439 CB TYR A 27 -18.743 2.657 -7.723 1.00 0.86 C ATOM 440 CG TYR A 27 -20.223 2.367 -7.821 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.073 3.226 -8.505 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.774 1.239 -7.223 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.427 2.969 -8.593 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.125 0.976 -7.307 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.949 1.844 -7.992 1.00 1.19 C ATOM 446 OH TYR A 27 -24.296 1.585 -8.078 1.00 1.35 O ATOM 0 H TYR A 27 -16.309 3.730 -6.682 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.138 4.541 -6.760 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.375 2.972 -8.700 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.216 1.739 -7.465 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.668 4.110 -8.976 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.133 0.557 -6.684 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.074 3.647 -9.130 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.536 0.094 -6.838 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.500 0.753 -7.602 1.00 1.35 H new ATOM 456 N THR A 28 -17.725 2.070 -5.053 1.00 0.65 N ATOM 457 CA THR A 28 -17.707 1.381 -3.754 1.00 0.61 C ATOM 458 C THR A 28 -19.086 1.374 -3.095 1.00 0.66 C ATOM 459 O THR A 28 -19.237 1.723 -1.926 1.00 0.81 O ATOM 460 CB THR A 28 -16.653 1.978 -2.824 1.00 0.64 C ATOM 461 OG1 THR A 28 -16.342 1.075 -1.778 1.00 0.91 O ATOM 462 CG2 THR A 28 -17.082 3.270 -2.195 1.00 0.79 C ATOM 0 H THR A 28 -17.108 1.654 -5.751 1.00 0.65 H new ATOM 0 HA THR A 28 -17.435 0.343 -3.944 1.00 0.61 H new ATOM 0 HB THR A 28 -15.784 2.170 -3.454 1.00 0.64 H new ATOM 0 HG1 THR A 28 -15.664 1.473 -1.193 1.00 0.91 H new ATOM 0 HG21 THR A 28 -16.288 3.640 -1.547 1.00 0.79 H new ATOM 0 HG22 THR A 28 -17.286 4.004 -2.974 1.00 0.79 H new ATOM 0 HG23 THR A 28 -17.984 3.106 -1.606 1.00 0.79 H new ATOM 470 N GLY A 29 -20.090 0.973 -3.869 1.00 0.75 N ATOM 471 CA GLY A 29 -21.447 0.921 -3.363 1.00 0.80 C ATOM 472 C GLY A 29 -21.839 2.189 -2.626 1.00 0.85 C ATOM 473 O GLY A 29 -21.767 3.286 -3.180 1.00 1.01 O ATOM 0 H GLY A 29 -19.986 0.682 -4.841 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.135 0.759 -4.193 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.549 0.068 -2.692 1.00 0.80 H new ATOM 477 N GLY A 30 -22.246 2.041 -1.372 1.00 0.83 N ATOM 478 CA GLY A 30 -22.632 3.187 -0.571 1.00 0.89 C ATOM 479 C GLY A 30 -21.805 3.267 0.692 1.00 0.85 C ATOM 480 O GLY A 30 -22.278 3.711 1.737 1.00 0.98 O ATOM 0 H GLY A 30 -22.316 1.143 -0.893 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.505 4.101 -1.152 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.689 3.117 -0.314 1.00 0.89 H new ATOM 484 N PHE A 31 -20.564 2.810 0.583 1.00 0.73 N ATOM 485 CA PHE A 31 -19.640 2.790 1.706 1.00 0.69 C ATOM 486 C PHE A 31 -18.608 3.909 1.624 1.00 0.67 C ATOM 487 O PHE A 31 -18.702 4.807 0.787 1.00 0.74 O ATOM 488 CB PHE A 31 -18.913 1.445 1.762 1.00 0.63 C ATOM 489 CG PHE A 31 -19.649 0.301 1.112 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.773 -0.257 1.711 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.218 -0.213 -0.102 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.445 -1.305 1.111 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.889 -1.260 -0.705 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.012 -1.813 -0.076 1.00 0.83 C ATOM 0 H PHE A 31 -20.172 2.444 -0.285 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.231 2.940 2.609 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.941 1.553 1.281 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.726 1.192 2.806 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.124 0.133 2.655 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.348 0.210 -0.582 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.319 -1.724 1.587 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.550 -1.649 -1.654 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.534 -2.641 -0.532 1.00 0.83 H new ATOM 504 N LYS A 32 -17.620 3.831 2.512 1.00 0.68 N ATOM 505 CA LYS A 32 -16.546 4.817 2.572 1.00 0.72 C ATOM 506 C LYS A 32 -15.228 4.158 2.980 1.00 0.66 C ATOM 507 O LYS A 32 -14.337 4.812 3.519 1.00 0.74 O ATOM 508 CB LYS A 32 -16.902 5.928 3.564 1.00 0.86 C ATOM 509 CG LYS A 32 -16.285 7.275 3.218 1.00 1.38 C ATOM 510 CD LYS A 32 -16.457 8.276 4.349 1.00 1.38 C ATOM 511 CE LYS A 32 -15.471 8.018 5.477 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.012 9.284 6.116 1.00 2.26 N ATOM 0 H LYS A 32 -17.542 3.087 3.206 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.425 5.250 1.579 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.986 6.034 3.604 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.574 5.633 4.561 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.224 7.146 3.004 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.748 7.666 2.312 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.317 9.287 3.966 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.475 8.220 4.734 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.938 7.381 6.228 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.610 7.474 5.089 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.341 9.064 6.880 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.544 9.882 5.405 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.830 9.791 6.509 1.00 2.26 H new ATOM 526 N ILE A 33 -15.114 2.856 2.718 1.00 0.67 N ATOM 527 CA ILE A 33 -13.905 2.108 3.056 1.00 0.66 C ATOM 528 C ILE A 33 -13.718 2.019 4.569 1.00 0.80 C ATOM 529 O ILE A 33 -13.870 0.953 5.161 1.00 1.71 O ATOM 530 CB ILE A 33 -12.652 2.747 2.426 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.796 2.810 0.904 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.404 1.967 2.812 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.708 1.456 0.234 1.00 0.91 C ATOM 0 H ILE A 33 -15.844 2.299 2.273 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.030 1.104 2.650 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.552 3.763 2.807 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.754 3.268 0.656 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.018 3.458 0.500 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.529 2.433 2.358 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.295 1.969 3.896 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.493 0.940 2.458 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.818 1.576 -0.844 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.740 1.004 0.452 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.502 0.811 0.611 1.00 0.91 H new ATOM 545 N THR A 34 -13.394 3.157 5.184 1.00 0.72 N ATOM 546 CA THR A 34 -13.185 3.246 6.634 1.00 0.73 C ATOM 547 C THR A 34 -11.769 2.829 7.042 1.00 0.59 C ATOM 548 O THR A 34 -11.365 3.047 8.185 1.00 0.76 O ATOM 549 CB THR A 34 -14.213 2.407 7.408 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.764 1.073 7.565 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.581 2.363 6.758 1.00 1.15 C ATOM 0 H THR A 34 -13.269 4.043 4.694 1.00 0.72 H new ATOM 0 HA THR A 34 -13.320 4.296 6.894 1.00 0.73 H new ATOM 0 HB THR A 34 -14.311 2.905 8.372 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.020 0.547 6.779 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.252 1.752 7.362 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.981 3.374 6.682 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.496 1.931 5.761 1.00 1.15 H new ATOM 559 N SER A 35 -11.015 2.234 6.120 1.00 0.49 N ATOM 560 CA SER A 35 -9.649 1.799 6.423 1.00 0.47 C ATOM 561 C SER A 35 -8.972 1.167 5.208 1.00 0.45 C ATOM 562 O SER A 35 -9.600 0.428 4.451 1.00 0.72 O ATOM 563 CB SER A 35 -9.665 0.790 7.569 1.00 0.64 C ATOM 564 OG SER A 35 -8.377 0.645 8.139 1.00 1.58 O ATOM 0 H SER A 35 -11.321 2.043 5.166 1.00 0.49 H new ATOM 0 HA SER A 35 -9.080 2.684 6.709 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.370 1.115 8.334 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.015 -0.175 7.203 1.00 0.64 H new ATOM 0 HG SER A 35 -8.415 -0.005 8.871 1.00 1.58 H new ATOM 570 N TYR A 36 -7.682 1.458 5.033 1.00 0.27 N ATOM 571 CA TYR A 36 -6.918 0.912 3.917 1.00 0.28 C ATOM 572 C TYR A 36 -5.741 0.072 4.414 1.00 0.33 C ATOM 573 O TYR A 36 -5.067 0.430 5.377 1.00 0.68 O ATOM 574 CB TYR A 36 -6.401 2.039 3.023 1.00 0.29 C ATOM 575 CG TYR A 36 -7.491 2.924 2.464 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.440 2.418 1.587 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.570 4.265 2.816 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.439 3.224 1.074 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.567 5.077 2.308 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.496 4.552 1.435 1.00 0.60 C ATOM 581 OH TYR A 36 -10.489 5.360 0.930 1.00 0.76 O ATOM 0 H TYR A 36 -7.147 2.069 5.651 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.584 0.271 3.340 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.705 2.653 3.595 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.839 1.605 2.196 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.397 1.378 1.301 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.842 4.680 3.497 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.171 2.815 0.394 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.618 6.117 2.594 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.086 6.142 0.498 1.00 0.76 H new ATOM 591 N ILE A 37 -5.497 -1.047 3.743 1.00 0.24 N ATOM 592 CA ILE A 37 -4.397 -1.931 4.104 1.00 0.26 C ATOM 593 C ILE A 37 -3.392 -2.008 2.963 1.00 0.33 C ATOM 594 O ILE A 37 -3.776 -2.215 1.816 1.00 0.70 O ATOM 595 CB ILE A 37 -4.893 -3.349 4.435 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.057 -3.291 5.424 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.754 -4.186 4.996 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.523 -4.654 5.885 1.00 1.14 C ATOM 0 H ILE A 37 -6.047 -1.364 2.945 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.922 -1.516 4.993 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.248 -3.818 3.517 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.757 -2.705 6.293 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.893 -2.768 4.960 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.118 -5.187 5.226 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.953 -4.251 4.259 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.374 -3.720 5.905 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.351 -4.538 6.585 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.854 -5.236 5.025 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.701 -5.172 6.378 1.00 1.14 H new ATOM 610 N VAL A 38 -2.113 -1.829 3.272 1.00 0.36 N ATOM 611 CA VAL A 38 -1.074 -1.869 2.248 1.00 0.42 C ATOM 612 C VAL A 38 -0.273 -3.166 2.287 1.00 0.35 C ATOM 613 O VAL A 38 0.518 -3.392 3.201 1.00 0.48 O ATOM 614 CB VAL A 38 -0.097 -0.689 2.394 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.887 -0.664 1.234 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.849 0.629 2.493 1.00 0.46 C ATOM 0 H VAL A 38 -1.771 -1.656 4.217 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.595 -1.804 1.293 1.00 0.42 H new ATOM 0 HB VAL A 38 0.466 -0.825 3.318 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.570 0.177 1.354 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.456 -1.594 1.219 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.341 -0.557 0.296 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.137 1.448 2.596 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.444 0.777 1.592 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.506 0.609 3.363 1.00 0.46 H new ATOM 626 N GLU A 39 -0.472 -4.008 1.276 1.00 0.30 N ATOM 627 CA GLU A 39 0.247 -5.272 1.182 1.00 0.33 C ATOM 628 C GLU A 39 1.629 -5.030 0.584 1.00 0.32 C ATOM 629 O GLU A 39 1.760 -4.745 -0.607 1.00 0.43 O ATOM 630 CB GLU A 39 -0.535 -6.272 0.325 1.00 0.42 C ATOM 631 CG GLU A 39 -1.162 -7.400 1.128 1.00 0.51 C ATOM 632 CD GLU A 39 -0.777 -8.771 0.608 1.00 0.92 C ATOM 633 OE1 GLU A 39 0.190 -8.857 -0.177 1.00 1.67 O ATOM 634 OE2 GLU A 39 -1.443 -9.757 0.986 1.00 1.52 O ATOM 0 H GLU A 39 -1.125 -3.836 0.512 1.00 0.30 H new ATOM 0 HA GLU A 39 0.357 -5.692 2.182 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.320 -5.741 -0.214 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.134 -6.698 -0.423 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -0.856 -7.312 2.171 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.247 -7.298 1.104 1.00 0.51 H new ATOM 641 N LYS A 40 2.655 -5.133 1.420 1.00 0.28 N ATOM 642 CA LYS A 40 4.029 -4.912 0.978 1.00 0.31 C ATOM 643 C LYS A 40 4.729 -6.228 0.667 1.00 0.29 C ATOM 644 O LYS A 40 4.406 -7.266 1.242 1.00 0.35 O ATOM 645 CB LYS A 40 4.806 -4.153 2.053 1.00 0.43 C ATOM 646 CG LYS A 40 4.612 -4.724 3.447 1.00 0.92 C ATOM 647 CD LYS A 40 5.886 -4.632 4.270 1.00 1.14 C ATOM 648 CE LYS A 40 7.045 -5.343 3.590 1.00 1.65 C ATOM 649 NZ LYS A 40 8.066 -5.798 4.572 1.00 1.97 N ATOM 0 H LYS A 40 2.563 -5.368 2.408 1.00 0.28 H new ATOM 0 HA LYS A 40 3.998 -4.320 0.063 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.867 -4.170 1.805 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.494 -3.109 2.049 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.811 -4.185 3.953 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.299 -5.766 3.374 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.143 -3.585 4.427 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.717 -5.070 5.254 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.669 -6.201 3.033 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.509 -4.672 2.867 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.872 -6.217 4.066 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.394 -4.986 5.133 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.647 -6.509 5.205 1.00 1.97 H new ATOM 663 N ARG A 41 5.692 -6.177 -0.250 1.00 0.36 N ATOM 664 CA ARG A 41 6.436 -7.368 -0.638 1.00 0.40 C ATOM 665 C ARG A 41 7.922 -7.064 -0.810 1.00 0.41 C ATOM 666 O ARG A 41 8.308 -6.235 -1.639 1.00 0.43 O ATOM 667 CB ARG A 41 5.872 -7.944 -1.937 1.00 0.46 C ATOM 668 CG ARG A 41 6.633 -9.157 -2.445 1.00 0.58 C ATOM 669 CD ARG A 41 5.698 -10.190 -3.050 1.00 0.88 C ATOM 670 NE ARG A 41 5.271 -9.821 -4.397 1.00 0.95 N ATOM 671 CZ ARG A 41 4.590 -10.631 -5.200 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.261 -11.850 -4.792 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.239 -10.226 -6.413 1.00 1.44 N ATOM 0 H ARG A 41 5.973 -5.325 -0.736 1.00 0.36 H new ATOM 0 HA ARG A 41 6.328 -8.102 0.161 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.829 -8.219 -1.780 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.885 -7.170 -2.704 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.362 -8.843 -3.192 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.191 -9.607 -1.624 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.199 -11.158 -3.081 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.822 -10.304 -2.411 1.00 0.88 H new ATOM 0 HE ARG A 41 5.509 -8.890 -4.740 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.531 -12.166 -3.861 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.738 -12.471 -5.410 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.492 -9.291 -6.731 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.716 -10.850 -7.028 1.00 1.44 H new ATOM 687 N ASP A 42 8.746 -7.750 -0.025 1.00 0.50 N ATOM 688 CA ASP A 42 10.196 -7.580 -0.080 1.00 0.57 C ATOM 689 C ASP A 42 10.767 -8.424 -1.211 1.00 0.62 C ATOM 690 O ASP A 42 11.101 -9.594 -1.021 1.00 0.91 O ATOM 691 CB ASP A 42 10.837 -7.996 1.249 1.00 0.71 C ATOM 692 CG ASP A 42 9.946 -7.712 2.444 1.00 0.93 C ATOM 693 OD1 ASP A 42 9.168 -6.737 2.385 1.00 1.59 O ATOM 694 OD2 ASP A 42 10.029 -8.464 3.438 1.00 1.49 O ATOM 0 H ASP A 42 8.432 -8.435 0.663 1.00 0.50 H new ATOM 0 HA ASP A 42 10.418 -6.528 -0.260 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.068 -9.061 1.218 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.783 -7.468 1.372 1.00 0.71 H new ATOM 699 N LEU A 43 10.864 -7.828 -2.389 1.00 0.63 N ATOM 700 CA LEU A 43 11.377 -8.523 -3.561 1.00 0.68 C ATOM 701 C LEU A 43 12.905 -8.492 -3.604 1.00 0.81 C ATOM 702 O LEU A 43 13.527 -7.555 -3.103 1.00 0.90 O ATOM 703 CB LEU A 43 10.803 -7.899 -4.836 1.00 0.62 C ATOM 704 CG LEU A 43 9.369 -7.369 -4.716 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.249 -6.001 -5.366 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.388 -8.344 -5.337 1.00 0.70 C ATOM 0 H LEU A 43 10.593 -6.860 -2.560 1.00 0.63 H new ATOM 0 HA LEU A 43 11.064 -9.565 -3.497 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.452 -7.079 -5.144 1.00 0.62 H new ATOM 0 HB3 LEU A 43 10.832 -8.644 -5.631 1.00 0.62 H new ATOM 0 HG LEU A 43 9.127 -7.267 -3.658 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.224 -5.642 -5.271 1.00 0.80 H new ATOM 0 HD12 LEU A 43 9.926 -5.303 -4.873 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.511 -6.075 -6.422 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.376 -7.951 -5.243 1.00 0.70 H new ATOM 0 HD22 LEU A 43 8.628 -8.479 -6.392 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.454 -9.303 -4.824 1.00 0.70 H new ATOM 718 N PRO A 44 13.536 -9.523 -4.206 1.00 0.92 N ATOM 719 CA PRO A 44 12.849 -10.656 -4.815 1.00 0.99 C ATOM 720 C PRO A 44 12.705 -11.839 -3.862 1.00 1.15 C ATOM 721 O PRO A 44 12.650 -12.991 -4.292 1.00 1.43 O ATOM 722 CB PRO A 44 13.783 -11.010 -5.967 1.00 1.15 C ATOM 723 CG PRO A 44 15.155 -10.661 -5.473 1.00 1.25 C ATOM 724 CD PRO A 44 14.993 -9.663 -4.344 1.00 1.08 C ATOM 0 HA PRO A 44 11.827 -10.418 -5.111 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.712 -12.067 -6.222 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.532 -10.447 -6.866 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.675 -11.553 -5.124 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.755 -10.236 -6.277 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.449 -10.024 -3.422 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.466 -8.710 -4.582 1.00 1.08 H new ATOM 732 N ASN A 45 12.647 -11.551 -2.565 1.00 1.14 N ATOM 733 CA ASN A 45 12.512 -12.597 -1.558 1.00 1.33 C ATOM 734 C ASN A 45 11.550 -12.170 -0.454 1.00 1.43 C ATOM 735 O ASN A 45 11.960 -11.918 0.680 1.00 2.42 O ATOM 736 CB ASN A 45 13.878 -12.936 -0.960 1.00 1.66 C ATOM 737 CG ASN A 45 14.725 -13.777 -1.895 1.00 1.93 C ATOM 738 OD1 ASN A 45 14.706 -15.007 -1.831 1.00 2.66 O ATOM 739 ND2 ASN A 45 15.472 -13.117 -2.772 1.00 1.89 N ATOM 0 H ASN A 45 12.691 -10.604 -2.188 1.00 1.14 H new ATOM 0 HA ASN A 45 12.106 -13.484 -2.043 1.00 1.33 H new ATOM 0 HB2 ASN A 45 14.408 -12.013 -0.725 1.00 1.66 H new ATOM 0 HB3 ASN A 45 13.738 -13.471 -0.021 1.00 1.66 H new ATOM 0 HD21 ASN A 45 16.061 -13.630 -3.428 1.00 1.89 H new ATOM 0 HD22 ASN A 45 15.457 -12.097 -2.790 1.00 1.89 H new ATOM 746 N GLY A 46 10.267 -12.091 -0.793 1.00 0.90 N ATOM 747 CA GLY A 46 9.265 -11.695 0.178 1.00 1.12 C ATOM 748 C GLY A 46 7.855 -11.981 -0.301 1.00 0.76 C ATOM 749 O GLY A 46 7.661 -12.655 -1.313 1.00 0.96 O ATOM 0 H GLY A 46 9.904 -12.295 -1.724 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.442 -12.223 1.115 1.00 1.12 H new ATOM 0 HA3 GLY A 46 9.366 -10.630 0.388 1.00 1.12 H new ATOM 753 N ARG A 47 6.867 -11.466 0.425 1.00 0.80 N ATOM 754 CA ARG A 47 5.468 -11.672 0.064 1.00 0.76 C ATOM 755 C ARG A 47 4.601 -10.507 0.528 1.00 0.85 C ATOM 756 O ARG A 47 5.041 -9.656 1.302 1.00 1.71 O ATOM 757 CB ARG A 47 4.943 -12.976 0.665 1.00 0.99 C ATOM 758 CG ARG A 47 5.505 -13.285 2.042 1.00 1.31 C ATOM 759 CD ARG A 47 5.353 -12.107 2.989 1.00 1.11 C ATOM 760 NE ARG A 47 5.297 -12.530 4.387 1.00 1.41 N ATOM 761 CZ ARG A 47 5.500 -11.712 5.413 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.768 -10.432 5.200 1.00 2.41 N ATOM 763 NH2 ARG A 47 5.435 -12.173 6.656 1.00 2.03 N ATOM 0 H ARG A 47 7.009 -10.904 1.265 1.00 0.80 H new ATOM 0 HA ARG A 47 5.415 -11.732 -1.023 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.856 -12.924 0.729 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.183 -13.799 -0.009 1.00 0.99 H new ATOM 0 HG2 ARG A 47 4.994 -14.154 2.457 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.559 -13.547 1.954 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.189 -11.421 2.851 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.445 -11.557 2.740 1.00 1.11 H new ATOM 0 HE ARG A 47 5.090 -13.509 4.586 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.819 -10.073 4.246 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.924 -9.805 5.990 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.229 -13.158 6.825 1.00 2.03 H new ATOM 0 HH22 ARG A 47 5.591 -11.543 7.443 1.00 2.03 H new ATOM 777 N TRP A 48 3.365 -10.479 0.042 1.00 0.50 N ATOM 778 CA TRP A 48 2.425 -9.433 0.386 1.00 0.43 C ATOM 779 C TRP A 48 1.981 -9.541 1.838 1.00 0.45 C ATOM 780 O TRP A 48 1.386 -10.539 2.244 1.00 0.65 O ATOM 781 CB TRP A 48 1.212 -9.488 -0.539 1.00 0.47 C ATOM 782 CG TRP A 48 1.594 -9.444 -1.981 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.461 -10.444 -2.898 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.188 -8.341 -2.669 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.934 -10.027 -4.117 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.384 -8.738 -4.002 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.567 -7.056 -2.284 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.947 -7.892 -4.954 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.126 -6.216 -3.228 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.309 -6.638 -4.550 1.00 0.38 C ATOM 0 H TRP A 48 2.993 -11.180 -0.599 1.00 0.50 H new ATOM 0 HA TRP A 48 2.930 -8.475 0.259 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.650 -10.401 -0.343 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.550 -8.651 -0.316 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.045 -11.420 -2.695 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.948 -10.586 -4.970 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.426 -6.723 -1.266 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.092 -8.215 -5.974 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.426 -5.219 -2.942 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.746 -5.958 -5.266 1.00 0.38 H new ATOM 801 N LEU A 49 2.275 -8.507 2.616 1.00 0.38 N ATOM 802 CA LEU A 49 1.906 -8.484 4.026 1.00 0.42 C ATOM 803 C LEU A 49 1.597 -7.062 4.479 1.00 0.36 C ATOM 804 O LEU A 49 2.393 -6.146 4.280 1.00 0.39 O ATOM 805 CB LEU A 49 3.027 -9.078 4.877 1.00 0.52 C ATOM 806 CG LEU A 49 2.645 -10.344 5.649 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.401 -10.102 6.491 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.421 -11.503 4.690 1.00 0.84 C ATOM 0 H LEU A 49 2.768 -7.674 2.295 1.00 0.38 H new ATOM 0 HA LEU A 49 1.008 -9.089 4.155 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.874 -9.306 4.230 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.363 -8.323 5.588 1.00 0.52 H new ATOM 0 HG LEU A 49 3.467 -10.601 6.317 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.145 -11.013 7.032 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.594 -9.299 7.203 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.572 -9.820 5.842 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.150 -12.395 5.255 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.616 -11.253 3.999 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.336 -11.693 4.128 1.00 0.84 H new ATOM 820 N LYS A 50 0.430 -6.884 5.087 1.00 0.40 N ATOM 821 CA LYS A 50 0.010 -5.574 5.564 1.00 0.40 C ATOM 822 C LYS A 50 0.916 -5.074 6.687 1.00 0.47 C ATOM 823 O LYS A 50 0.596 -5.224 7.866 1.00 0.85 O ATOM 824 CB LYS A 50 -1.443 -5.629 6.047 1.00 0.59 C ATOM 825 CG LYS A 50 -1.663 -6.565 7.226 1.00 0.72 C ATOM 826 CD LYS A 50 -2.122 -5.808 8.463 1.00 1.03 C ATOM 827 CE LYS A 50 -3.529 -5.257 8.294 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.404 -5.599 9.451 1.00 1.30 N ATOM 0 H LYS A 50 -0.242 -7.632 5.261 1.00 0.40 H new ATOM 0 HA LYS A 50 0.087 -4.874 4.732 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.761 -4.625 6.328 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.079 -5.945 5.220 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.407 -7.316 6.961 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.738 -7.097 7.447 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.092 -6.471 9.328 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.432 -4.989 8.665 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.483 -4.174 8.181 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.967 -5.654 7.378 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.207 -4.940 9.485 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.758 -6.571 9.343 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.858 -5.526 10.333 1.00 1.30 H new ATOM 842 N ALA A 51 2.048 -4.477 6.316 1.00 0.45 N ATOM 843 CA ALA A 51 2.986 -3.954 7.303 1.00 0.63 C ATOM 844 C ALA A 51 2.321 -2.885 8.152 1.00 0.55 C ATOM 845 O ALA A 51 2.552 -2.803 9.358 1.00 0.72 O ATOM 846 CB ALA A 51 4.225 -3.384 6.629 1.00 0.86 C ATOM 0 H ALA A 51 2.335 -4.345 5.346 1.00 0.45 H new ATOM 0 HA ALA A 51 3.292 -4.780 7.946 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.908 -3.001 7.387 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.721 -4.168 6.057 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.935 -2.574 5.959 1.00 0.86 H new ATOM 852 N ASN A 52 1.491 -2.063 7.509 1.00 0.42 N ATOM 853 CA ASN A 52 0.778 -0.983 8.199 1.00 0.43 C ATOM 854 C ASN A 52 0.276 -1.441 9.580 1.00 0.59 C ATOM 855 O ASN A 52 0.943 -1.220 10.591 1.00 1.60 O ATOM 856 CB ASN A 52 -0.378 -0.477 7.313 1.00 0.38 C ATOM 857 CG ASN A 52 -1.443 0.290 8.077 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.172 1.335 8.664 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.664 -0.234 8.079 1.00 0.62 N ATOM 0 H ASN A 52 1.294 -2.123 6.510 1.00 0.42 H new ATOM 0 HA ASN A 52 1.468 -0.157 8.372 1.00 0.43 H new ATOM 0 HB2 ASN A 52 0.029 0.165 6.532 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.843 -1.329 6.816 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.419 0.234 8.581 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.846 -1.104 7.579 1.00 0.62 H new ATOM 866 N PHE A 53 -0.888 -2.081 9.614 1.00 0.81 N ATOM 867 CA PHE A 53 -1.457 -2.570 10.872 1.00 0.82 C ATOM 868 C PHE A 53 -1.709 -1.436 11.867 1.00 0.84 C ATOM 869 O PHE A 53 -1.910 -1.680 13.056 1.00 1.20 O ATOM 870 CB PHE A 53 -0.526 -3.603 11.505 1.00 0.96 C ATOM 871 CG PHE A 53 -1.139 -4.301 12.681 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.479 -4.650 12.667 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.382 -4.607 13.800 1.00 1.68 C ATOM 874 CE1 PHE A 53 -3.053 -5.289 13.743 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.952 -5.249 14.883 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.290 -5.590 14.855 1.00 1.96 C ATOM 0 H PHE A 53 -1.457 -2.274 8.790 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.416 -3.030 10.635 1.00 0.82 H new ATOM 0 HB2 PHE A 53 -0.249 -4.343 10.754 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.393 -3.110 11.821 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -3.081 -4.418 11.801 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.664 -4.341 13.826 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -4.099 -5.555 13.718 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.352 -5.484 15.750 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.739 -6.091 15.700 1.00 1.96 H new ATOM 886 N SER A 54 -1.701 -0.201 11.381 1.00 0.79 N ATOM 887 CA SER A 54 -1.933 0.957 12.235 1.00 0.89 C ATOM 888 C SER A 54 -3.116 1.779 11.730 1.00 0.95 C ATOM 889 O SER A 54 -3.232 2.967 12.034 1.00 1.89 O ATOM 890 CB SER A 54 -0.680 1.831 12.298 1.00 1.00 C ATOM 891 OG SER A 54 -0.620 2.548 13.518 1.00 1.71 O ATOM 0 H SER A 54 -1.536 0.024 10.400 1.00 0.79 H new ATOM 0 HA SER A 54 -2.166 0.596 13.237 1.00 0.89 H new ATOM 0 HB2 SER A 54 0.208 1.207 12.195 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.678 2.530 11.461 1.00 1.00 H new ATOM 0 HG SER A 54 0.191 3.098 13.535 1.00 1.71 H new ATOM 897 N ASN A 55 -3.994 1.140 10.962 1.00 0.75 N ATOM 898 CA ASN A 55 -5.169 1.814 10.420 1.00 0.69 C ATOM 899 C ASN A 55 -4.774 2.879 9.401 1.00 0.66 C ATOM 900 O ASN A 55 -3.869 3.679 9.640 1.00 1.05 O ATOM 901 CB ASN A 55 -5.979 2.452 11.551 1.00 0.84 C ATOM 902 CG ASN A 55 -7.457 2.126 11.463 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.001 1.423 12.314 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.114 2.639 10.430 1.00 0.83 N ATOM 0 H ASN A 55 -3.914 0.157 10.701 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.781 1.067 9.914 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.591 2.108 12.510 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.847 3.534 11.523 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.111 2.456 10.318 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.622 3.217 9.748 1.00 0.83 H new ATOM 911 N ILE A 56 -5.463 2.880 8.265 1.00 0.40 N ATOM 912 CA ILE A 56 -5.193 3.842 7.202 1.00 0.33 C ATOM 913 C ILE A 56 -6.479 4.526 6.749 1.00 0.31 C ATOM 914 O ILE A 56 -7.000 4.232 5.673 1.00 0.53 O ATOM 915 CB ILE A 56 -4.544 3.162 5.983 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.390 2.256 6.424 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.061 4.203 4.986 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.627 1.645 5.270 1.00 0.69 C ATOM 0 H ILE A 56 -6.215 2.223 8.056 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.505 4.582 7.611 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.295 2.543 5.493 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.700 2.833 7.040 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.785 1.457 7.051 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.605 3.704 4.131 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.906 4.803 4.648 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.325 4.850 5.463 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.825 1.016 5.656 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.303 1.040 4.666 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.202 2.438 4.655 1.00 0.69 H new ATOM 930 N LEU A 57 -6.987 5.436 7.572 1.00 0.44 N ATOM 931 CA LEU A 57 -8.213 6.155 7.247 1.00 0.45 C ATOM 932 C LEU A 57 -8.107 6.831 5.883 1.00 0.42 C ATOM 933 O LEU A 57 -8.927 6.590 4.997 1.00 0.60 O ATOM 934 CB LEU A 57 -8.524 7.197 8.325 1.00 0.48 C ATOM 935 CG LEU A 57 -9.930 7.110 8.929 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.970 6.871 7.844 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.991 6.011 9.980 1.00 1.60 C ATOM 0 H LEU A 57 -6.570 5.693 8.467 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.026 5.430 7.209 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.794 7.095 9.128 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.390 8.190 7.897 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.154 8.062 9.411 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.960 6.813 8.296 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.945 7.693 7.129 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.750 5.936 7.329 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.996 5.963 10.398 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.743 5.054 9.521 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.277 6.228 10.775 1.00 1.60 H new ATOM 949 N GLU A 58 -7.095 7.677 5.718 1.00 0.39 N ATOM 950 CA GLU A 58 -6.892 8.380 4.460 1.00 0.43 C ATOM 951 C GLU A 58 -5.954 7.599 3.549 1.00 0.51 C ATOM 952 O GLU A 58 -5.208 6.732 4.004 1.00 1.09 O ATOM 953 CB GLU A 58 -6.330 9.780 4.715 1.00 0.44 C ATOM 954 CG GLU A 58 -5.073 9.787 5.570 1.00 0.44 C ATOM 955 CD GLU A 58 -5.259 10.539 6.873 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.939 11.587 6.863 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.725 10.080 7.904 1.00 1.29 O ATOM 0 H GLU A 58 -6.405 7.891 6.439 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.858 8.473 3.964 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.111 10.254 3.758 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.094 10.385 5.203 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.779 8.760 5.786 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.257 10.240 5.007 1.00 0.44 H new ATOM 964 N ASN A 59 -6.003 7.910 2.262 1.00 0.31 N ATOM 965 CA ASN A 59 -5.159 7.236 1.280 1.00 0.28 C ATOM 966 C ASN A 59 -3.690 7.634 1.435 1.00 0.28 C ATOM 967 O ASN A 59 -2.814 7.046 0.799 1.00 0.49 O ATOM 968 CB ASN A 59 -5.633 7.540 -0.144 1.00 0.32 C ATOM 969 CG ASN A 59 -7.137 7.722 -0.242 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.907 6.858 0.176 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.561 8.853 -0.796 1.00 0.91 N ATOM 0 H ASN A 59 -6.617 8.624 1.871 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.243 6.165 1.461 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.139 8.444 -0.500 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.327 6.728 -0.804 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.561 9.032 -0.888 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.887 9.542 -1.129 1.00 0.91 H new ATOM 978 N GLU A 60 -3.421 8.626 2.282 1.00 0.29 N ATOM 979 CA GLU A 60 -2.056 9.083 2.513 1.00 0.29 C ATOM 980 C GLU A 60 -1.466 8.353 3.707 1.00 0.27 C ATOM 981 O GLU A 60 -1.688 8.735 4.855 1.00 0.35 O ATOM 982 CB GLU A 60 -2.033 10.595 2.753 1.00 0.34 C ATOM 983 CG GLU A 60 -0.635 11.195 2.739 1.00 0.49 C ATOM 984 CD GLU A 60 -0.051 11.292 1.342 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.594 10.644 0.424 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.952 12.016 1.168 1.00 2.05 O ATOM 0 H GLU A 60 -4.130 9.127 2.818 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.456 8.865 1.629 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.637 11.085 1.989 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.501 10.809 3.714 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.667 12.189 3.184 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.022 10.588 3.361 1.00 0.49 H new ATOM 993 N PHE A 61 -0.725 7.288 3.432 1.00 0.24 N ATOM 994 CA PHE A 61 -0.124 6.497 4.493 1.00 0.24 C ATOM 995 C PHE A 61 1.355 6.228 4.224 1.00 0.24 C ATOM 996 O PHE A 61 1.843 6.423 3.111 1.00 0.25 O ATOM 997 CB PHE A 61 -0.885 5.175 4.640 1.00 0.28 C ATOM 998 CG PHE A 61 -0.195 4.182 5.526 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.344 4.239 6.900 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.619 3.203 4.981 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.305 3.335 7.715 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.268 2.297 5.789 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.112 2.361 7.159 1.00 0.48 C ATOM 0 H PHE A 61 -0.527 6.955 2.488 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.191 7.064 5.422 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.878 5.379 5.041 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.025 4.734 3.653 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.974 4.998 7.339 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.746 3.150 3.910 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.182 3.388 8.787 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.898 1.537 5.352 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.620 1.651 7.795 1.00 0.48 H new ATOM 1013 N THR A 62 2.059 5.771 5.259 1.00 0.25 N ATOM 1014 CA THR A 62 3.471 5.466 5.143 1.00 0.27 C ATOM 1015 C THR A 62 3.753 4.018 5.504 1.00 0.29 C ATOM 1016 O THR A 62 3.448 3.574 6.611 1.00 0.35 O ATOM 1017 CB THR A 62 4.294 6.408 6.023 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.801 7.732 5.932 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.762 6.442 5.660 1.00 0.37 C ATOM 0 H THR A 62 1.667 5.606 6.186 1.00 0.25 H new ATOM 0 HA THR A 62 3.763 5.614 4.103 1.00 0.27 H new ATOM 0 HB THR A 62 4.197 6.015 7.035 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.303 8.222 5.248 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.285 7.130 6.324 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.186 5.443 5.765 1.00 0.37 H new ATOM 0 HG23 THR A 62 5.874 6.777 4.629 1.00 0.37 H new ATOM 1027 N VAL A 63 4.341 3.281 4.561 1.00 0.31 N ATOM 1028 CA VAL A 63 4.658 1.884 4.793 1.00 0.36 C ATOM 1029 C VAL A 63 5.951 1.761 5.577 1.00 0.38 C ATOM 1030 O VAL A 63 6.998 1.413 5.030 1.00 0.50 O ATOM 1031 CB VAL A 63 4.775 1.107 3.474 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.780 -0.392 3.732 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.636 1.494 2.551 1.00 0.58 C ATOM 0 H VAL A 63 4.603 3.630 3.639 1.00 0.31 H new ATOM 0 HA VAL A 63 3.841 1.452 5.371 1.00 0.36 H new ATOM 0 HB VAL A 63 5.719 1.364 2.993 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.864 -0.924 2.784 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.627 -0.649 4.368 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.853 -0.679 4.229 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.722 0.941 1.616 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.685 1.256 3.027 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.682 2.564 2.346 1.00 0.58 H new ATOM 1043 N SER A 64 5.864 2.061 6.863 1.00 0.49 N ATOM 1044 CA SER A 64 7.019 2.000 7.745 1.00 0.55 C ATOM 1045 C SER A 64 7.317 0.566 8.150 1.00 0.63 C ATOM 1046 O SER A 64 6.483 -0.325 7.990 1.00 0.99 O ATOM 1047 CB SER A 64 6.786 2.856 8.989 1.00 0.63 C ATOM 1048 OG SER A 64 5.789 2.289 9.820 1.00 1.33 O ATOM 0 H SER A 64 5.000 2.351 7.322 1.00 0.49 H new ATOM 0 HA SER A 64 7.879 2.391 7.201 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.717 2.952 9.547 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.487 3.861 8.692 1.00 0.63 H new ATOM 0 HG SER A 64 5.660 2.855 10.610 1.00 1.33 H new ATOM 1054 N GLY A 65 8.513 0.351 8.678 1.00 0.71 N ATOM 1055 CA GLY A 65 8.903 -0.976 9.101 1.00 0.78 C ATOM 1056 C GLY A 65 9.467 -1.816 7.972 1.00 0.72 C ATOM 1057 O GLY A 65 10.008 -2.895 8.214 1.00 0.90 O ATOM 0 H GLY A 65 9.220 1.073 8.821 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.648 -0.895 9.893 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.038 -1.484 9.528 1.00 0.78 H new ATOM 1061 N LEU A 66 9.348 -1.334 6.734 1.00 0.64 N ATOM 1062 CA LEU A 66 9.865 -2.084 5.597 1.00 0.65 C ATOM 1063 C LEU A 66 11.368 -2.285 5.724 1.00 0.59 C ATOM 1064 O LEU A 66 12.022 -1.645 6.545 1.00 0.65 O ATOM 1065 CB LEU A 66 9.512 -1.415 4.259 1.00 0.74 C ATOM 1066 CG LEU A 66 10.011 0.010 4.034 1.00 0.89 C ATOM 1067 CD1 LEU A 66 11.412 -0.013 3.452 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.064 0.754 3.095 1.00 0.89 C ATOM 0 H LEU A 66 8.907 -0.445 6.499 1.00 0.64 H new ATOM 0 HA LEU A 66 9.383 -3.062 5.605 1.00 0.65 H new ATOM 0 HB2 LEU A 66 9.903 -2.040 3.456 1.00 0.74 H new ATOM 0 HB3 LEU A 66 8.427 -1.412 4.160 1.00 0.74 H new ATOM 0 HG LEU A 66 10.038 0.529 4.992 1.00 0.89 H new ATOM 0 HD11 LEU A 66 11.758 1.009 3.296 1.00 1.47 H new ATOM 0 HD12 LEU A 66 12.084 -0.522 4.142 1.00 1.47 H new ATOM 0 HD13 LEU A 66 11.402 -0.542 2.499 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.428 1.770 2.941 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.019 0.235 2.137 1.00 0.89 H new ATOM 0 HD23 LEU A 66 8.068 0.789 3.536 1.00 0.89 H new ATOM 1080 N THR A 67 11.905 -3.186 4.912 1.00 0.65 N ATOM 1081 CA THR A 67 13.335 -3.483 4.940 1.00 0.69 C ATOM 1082 C THR A 67 14.049 -2.859 3.752 1.00 0.72 C ATOM 1083 O THR A 67 13.431 -2.549 2.734 1.00 1.06 O ATOM 1084 CB THR A 67 13.573 -4.994 4.951 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.500 -5.667 5.582 1.00 0.96 O ATOM 1086 CG2 THR A 67 14.850 -5.390 5.662 1.00 0.99 C ATOM 0 H THR A 67 11.375 -3.724 4.226 1.00 0.65 H new ATOM 0 HA THR A 67 13.743 -3.052 5.854 1.00 0.69 H new ATOM 0 HB THR A 67 13.654 -5.283 3.903 1.00 0.75 H new ATOM 0 HG1 THR A 67 11.786 -5.827 4.930 1.00 0.96 H new ATOM 0 HG21 THR A 67 14.960 -6.474 5.635 1.00 0.99 H new ATOM 0 HG22 THR A 67 15.702 -4.926 5.165 1.00 0.99 H new ATOM 0 HG23 THR A 67 14.808 -5.056 6.699 1.00 0.99 H new ATOM 1094 N GLU A 68 15.353 -2.666 3.895 1.00 0.66 N ATOM 1095 CA GLU A 68 16.149 -2.065 2.843 1.00 0.67 C ATOM 1096 C GLU A 68 17.042 -3.083 2.134 1.00 0.60 C ATOM 1097 O GLU A 68 17.222 -4.207 2.602 1.00 0.69 O ATOM 1098 CB GLU A 68 16.998 -0.946 3.438 1.00 0.76 C ATOM 1099 CG GLU A 68 17.866 -1.379 4.603 1.00 0.96 C ATOM 1100 CD GLU A 68 19.348 -1.232 4.318 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.835 -1.869 3.362 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.023 -0.480 5.051 1.00 1.91 O ATOM 0 H GLU A 68 15.879 -2.918 4.732 1.00 0.66 H new ATOM 0 HA GLU A 68 15.467 -1.665 2.092 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.637 -0.535 2.656 1.00 0.76 H new ATOM 0 HB3 GLU A 68 16.340 -0.142 3.768 1.00 0.76 H new ATOM 0 HG2 GLU A 68 17.609 -0.787 5.481 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.649 -2.419 4.845 1.00 0.96 H new ATOM 1109 N ASP A 69 17.598 -2.666 0.996 1.00 0.52 N ATOM 1110 CA ASP A 69 18.479 -3.516 0.199 1.00 0.49 C ATOM 1111 C ASP A 69 17.691 -4.602 -0.525 1.00 0.44 C ATOM 1112 O ASP A 69 17.971 -5.792 -0.381 1.00 0.54 O ATOM 1113 CB ASP A 69 19.554 -4.147 1.087 1.00 0.59 C ATOM 1114 CG ASP A 69 20.863 -4.354 0.354 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.909 -5.214 -0.549 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.844 -3.655 0.685 1.00 1.66 O ATOM 0 H ASP A 69 17.451 -1.736 0.604 1.00 0.52 H new ATOM 0 HA ASP A 69 18.961 -2.890 -0.552 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.724 -3.510 1.955 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.195 -5.106 1.461 1.00 0.59 H new ATOM 1121 N ALA A 70 16.704 -4.176 -1.308 1.00 0.40 N ATOM 1122 CA ALA A 70 15.859 -5.089 -2.072 1.00 0.40 C ATOM 1123 C ALA A 70 14.619 -4.364 -2.580 1.00 0.35 C ATOM 1124 O ALA A 70 14.018 -3.571 -1.855 1.00 0.36 O ATOM 1125 CB ALA A 70 15.453 -6.291 -1.226 1.00 0.49 C ATOM 0 H ALA A 70 16.468 -3.191 -1.431 1.00 0.40 H new ATOM 0 HA ALA A 70 16.434 -5.448 -2.926 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.824 -6.956 -1.817 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.346 -6.827 -0.903 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.899 -5.950 -0.352 1.00 0.49 H new ATOM 1131 N ALA A 71 14.234 -4.633 -3.823 1.00 0.33 N ATOM 1132 CA ALA A 71 13.059 -3.994 -4.398 1.00 0.30 C ATOM 1133 C ALA A 71 11.835 -4.264 -3.538 1.00 0.27 C ATOM 1134 O ALA A 71 11.604 -5.392 -3.104 1.00 0.36 O ATOM 1135 CB ALA A 71 12.838 -4.456 -5.829 1.00 0.34 C ATOM 0 H ALA A 71 14.714 -5.283 -4.446 1.00 0.33 H new ATOM 0 HA ALA A 71 13.227 -2.917 -4.420 1.00 0.30 H new ATOM 0 HB1 ALA A 71 11.955 -3.965 -6.237 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.708 -4.199 -6.433 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.693 -5.536 -5.844 1.00 0.34 H new ATOM 1141 N TYR A 72 11.068 -3.216 -3.276 1.00 0.24 N ATOM 1142 CA TYR A 72 9.881 -3.332 -2.445 1.00 0.24 C ATOM 1143 C TYR A 72 8.644 -2.786 -3.143 1.00 0.21 C ATOM 1144 O TYR A 72 8.555 -1.595 -3.430 1.00 0.23 O ATOM 1145 CB TYR A 72 10.100 -2.567 -1.143 1.00 0.30 C ATOM 1146 CG TYR A 72 10.508 -3.434 0.023 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.604 -4.274 -0.070 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.796 -3.412 1.212 1.00 0.49 C ATOM 1149 CE1 TYR A 72 11.983 -5.071 0.988 1.00 0.42 C ATOM 1150 CE2 TYR A 72 10.167 -4.208 2.280 1.00 0.56 C ATOM 1151 CZ TYR A 72 11.255 -5.021 2.176 1.00 0.46 C ATOM 1152 OH TYR A 72 11.642 -5.836 3.219 1.00 0.56 O ATOM 0 H TYR A 72 11.247 -2.275 -3.628 1.00 0.24 H new ATOM 0 HA TYR A 72 9.715 -4.391 -2.246 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.867 -1.810 -1.304 1.00 0.30 H new ATOM 0 HB3 TYR A 72 9.181 -2.040 -0.885 1.00 0.30 H new ATOM 0 HD1 TYR A 72 12.172 -4.305 -0.988 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.938 -2.763 1.306 1.00 0.49 H new ATOM 0 HE1 TYR A 72 12.835 -5.728 0.898 1.00 0.42 H new ATOM 0 HE2 TYR A 72 9.595 -4.185 3.196 1.00 0.56 H new ATOM 0 HH TYR A 72 12.432 -6.352 2.955 1.00 0.56 H new ATOM 1162 N GLU A 73 7.684 -3.664 -3.391 1.00 0.21 N ATOM 1163 CA GLU A 73 6.433 -3.272 -4.037 1.00 0.21 C ATOM 1164 C GLU A 73 5.313 -3.253 -3.006 1.00 0.23 C ATOM 1165 O GLU A 73 5.318 -4.058 -2.075 1.00 0.32 O ATOM 1166 CB GLU A 73 6.091 -4.239 -5.173 1.00 0.25 C ATOM 1167 CG GLU A 73 6.220 -3.621 -6.556 1.00 0.65 C ATOM 1168 CD GLU A 73 6.627 -4.631 -7.612 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.138 -5.778 -7.559 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.438 -4.272 -8.493 1.00 1.32 O ATOM 0 H GLU A 73 7.744 -4.655 -3.156 1.00 0.21 H new ATOM 0 HA GLU A 73 6.549 -2.274 -4.461 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.746 -5.108 -5.110 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.071 -4.599 -5.038 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.269 -3.170 -6.838 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.957 -2.818 -6.524 1.00 0.65 H new ATOM 1177 N PHE A 74 4.355 -2.336 -3.146 1.00 0.22 N ATOM 1178 CA PHE A 74 3.265 -2.279 -2.156 1.00 0.28 C ATOM 1179 C PHE A 74 1.879 -2.036 -2.757 1.00 0.25 C ATOM 1180 O PHE A 74 1.596 -0.972 -3.299 1.00 0.30 O ATOM 1181 CB PHE A 74 3.525 -1.206 -1.088 1.00 0.39 C ATOM 1182 CG PHE A 74 4.925 -0.668 -1.051 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.903 -1.295 -0.298 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.258 0.468 -1.763 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.190 -0.795 -0.261 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.537 0.972 -1.733 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.508 0.342 -0.982 1.00 0.53 C ATOM 0 H PHE A 74 4.304 -1.648 -3.898 1.00 0.22 H new ATOM 0 HA PHE A 74 3.261 -3.273 -1.708 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.838 -0.376 -1.255 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.288 -1.625 -0.110 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.657 -2.183 0.266 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.503 0.968 -2.352 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.946 -1.291 0.329 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.781 1.860 -2.297 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.513 0.735 -0.957 1.00 0.53 H new ATOM 1197 N ARG A 75 1.007 -3.027 -2.608 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.371 -2.930 -3.087 1.00 0.34 C ATOM 1199 C ARG A 75 -1.272 -2.564 -1.917 1.00 0.31 C ATOM 1200 O ARG A 75 -0.786 -2.387 -0.802 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.823 -4.262 -3.690 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.327 -5.476 -2.920 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.236 -6.676 -3.124 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.836 -7.481 -4.275 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.229 -7.240 -5.524 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.032 -6.217 -5.791 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.816 -8.025 -6.509 1.00 1.87 N ATOM 0 H ARG A 75 1.230 -3.914 -2.156 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.431 -2.164 -3.860 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.912 -4.285 -3.726 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.469 -4.325 -4.719 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.684 -5.725 -3.244 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.272 -5.237 -1.858 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.224 -7.296 -2.227 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.262 -6.334 -3.261 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.218 -8.276 -4.112 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.352 -5.609 -5.037 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.329 -6.039 -6.750 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.198 -8.812 -6.309 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.116 -7.842 -7.467 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.579 -2.458 -2.142 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.473 -2.124 -1.031 1.00 0.39 C ATOM 1223 C VAL A 76 -4.877 -2.708 -1.198 1.00 0.31 C ATOM 1224 O VAL A 76 -5.520 -2.560 -2.236 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.534 -0.587 -0.750 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.361 0.221 -2.019 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.818 -0.166 -0.028 1.00 0.47 C ATOM 0 H VAL A 76 -3.032 -2.592 -3.046 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.032 -2.599 -0.155 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.698 -0.374 -0.083 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.409 1.284 -1.783 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.394 -0.008 -2.467 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.155 -0.031 -2.722 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.804 0.911 0.140 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.682 -0.427 -0.640 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.883 -0.682 0.930 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.335 -3.356 -0.129 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.644 -3.964 -0.063 1.00 0.31 C ATOM 1239 C ILE A 77 -7.469 -3.230 0.991 1.00 0.30 C ATOM 1240 O ILE A 77 -6.906 -2.679 1.938 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.516 -5.450 0.325 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.760 -6.216 -0.756 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.875 -6.070 0.557 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.137 -7.503 -0.265 1.00 0.42 C ATOM 0 H ILE A 77 -4.790 -3.470 0.726 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.131 -3.896 -1.036 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.954 -5.510 1.257 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.444 -6.443 -1.574 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.977 -5.576 -1.163 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.755 -7.119 0.829 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.383 -5.542 1.364 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.468 -5.998 -0.354 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.617 -7.993 -1.088 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.428 -7.283 0.533 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.917 -8.163 0.115 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.789 -3.206 0.846 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.612 -2.506 1.832 1.00 0.30 C ATOM 1258 C ALA A 78 -11.073 -2.926 1.784 1.00 0.34 C ATOM 1259 O ALA A 78 -11.660 -3.047 0.712 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.498 -1.003 1.635 1.00 0.39 C ATOM 0 H ALA A 78 -9.302 -3.647 0.082 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.232 -2.782 2.816 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.115 -0.491 2.374 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.459 -0.698 1.756 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.839 -0.740 0.634 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.659 -3.129 2.961 1.00 0.38 N ATOM 1267 CA LYS A 79 -13.062 -3.519 3.058 1.00 0.43 C ATOM 1268 C LYS A 79 -13.945 -2.281 3.056 1.00 0.59 C ATOM 1269 O LYS A 79 -13.528 -1.215 2.603 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.335 -4.356 4.320 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.089 -4.843 5.047 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.449 -5.737 6.223 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.830 -7.118 6.089 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.803 -7.842 7.389 1.00 1.98 N ATOM 0 H LYS A 79 -11.185 -3.030 3.859 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.296 -4.138 2.192 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.932 -3.761 5.011 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.937 -5.221 4.042 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.451 -5.391 4.353 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.514 -3.987 5.401 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.109 -5.274 7.149 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.533 -5.829 6.292 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.395 -7.700 5.361 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -10.815 -7.025 5.704 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.373 -8.780 7.255 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.243 -7.299 8.077 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.774 -7.954 7.744 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.166 -2.417 3.559 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.083 -1.293 3.598 1.00 0.70 C ATOM 1290 C ASN A 80 -17.200 -1.509 4.609 1.00 0.87 C ATOM 1291 O ASN A 80 -17.304 -2.564 5.234 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.689 -1.065 2.219 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.062 -2.364 1.538 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.196 -3.140 1.139 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.361 -2.608 1.410 1.00 2.05 N ATOM 0 H ASN A 80 -15.538 -3.286 3.941 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.512 -0.417 3.904 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.576 -0.438 2.313 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.978 -0.521 1.597 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.677 -3.470 0.965 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.043 -1.934 1.757 1.00 2.05 H new ATOM 1302 N ALA A 81 -18.033 -0.487 4.753 1.00 0.76 N ATOM 1303 CA ALA A 81 -19.163 -0.514 5.671 1.00 0.82 C ATOM 1304 C ALA A 81 -19.907 -1.849 5.631 1.00 0.88 C ATOM 1305 O ALA A 81 -20.498 -2.267 6.627 1.00 1.08 O ATOM 1306 CB ALA A 81 -20.120 0.623 5.335 1.00 0.83 C ATOM 0 H ALA A 81 -17.943 0.387 4.235 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.773 -0.389 6.681 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.966 0.602 6.023 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.600 1.576 5.429 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.480 0.505 4.313 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.885 -2.512 4.475 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.572 -3.790 4.322 1.00 0.90 C ATOM 1314 C ALA A 82 -19.640 -4.971 4.574 1.00 0.88 C ATOM 1315 O ALA A 82 -20.095 -6.080 4.854 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.190 -3.891 2.936 1.00 0.94 C ATOM 0 H ALA A 82 -19.402 -2.187 3.638 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.362 -3.831 5.072 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.700 -4.849 2.834 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.907 -3.082 2.797 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.407 -3.815 2.182 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.338 -4.733 4.472 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.376 -5.796 4.694 1.00 0.86 C ATOM 1324 C GLY A 83 -16.895 -6.440 3.404 1.00 0.78 C ATOM 1325 O GLY A 83 -16.037 -7.322 3.431 1.00 0.93 O ATOM 0 H GLY A 83 -17.932 -3.826 4.240 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.519 -5.396 5.235 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.826 -6.559 5.329 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.441 -6.002 2.270 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.049 -6.547 0.976 1.00 0.78 C ATOM 1331 C ALA A 84 -15.617 -6.150 0.645 1.00 0.76 C ATOM 1332 O ALA A 84 -15.377 -5.146 -0.019 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.000 -6.069 -0.109 1.00 0.92 C ATOM 0 H ALA A 84 -18.154 -5.274 2.224 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.102 -7.635 1.026 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.694 -6.484 -1.069 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.013 -6.399 0.123 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.976 -4.980 -0.160 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.670 -6.940 1.126 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.258 -6.668 0.902 1.00 0.40 C ATOM 1341 C ILE A 85 -12.951 -6.318 -0.547 1.00 0.38 C ATOM 1342 O ILE A 85 -13.210 -7.099 -1.462 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.379 -7.860 1.321 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.898 -7.494 1.197 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.704 -9.080 0.473 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.383 -6.659 2.349 1.00 0.79 C ATOM 0 H ILE A 85 -14.854 -7.779 1.677 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.025 -5.804 1.524 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.588 -8.102 2.363 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.310 -8.410 1.131 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.744 -6.949 0.266 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.075 -9.915 0.781 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.752 -9.347 0.607 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.518 -8.853 -0.577 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.327 -6.437 2.194 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.945 -5.727 2.403 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.505 -7.211 3.281 1.00 0.79 H new ATOM 1358 N SER A 86 -12.376 -5.134 -0.736 1.00 0.39 N ATOM 1359 CA SER A 86 -11.998 -4.663 -2.059 1.00 0.45 C ATOM 1360 C SER A 86 -10.649 -5.263 -2.440 1.00 0.44 C ATOM 1361 O SER A 86 -9.660 -5.057 -1.727 1.00 0.43 O ATOM 1362 CB SER A 86 -11.911 -3.135 -2.077 1.00 0.54 C ATOM 1363 OG SER A 86 -10.704 -2.681 -1.487 1.00 0.59 O ATOM 0 H SER A 86 -12.162 -4.481 0.018 1.00 0.39 H new ATOM 0 HA SER A 86 -12.755 -4.975 -2.779 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.973 -2.777 -3.105 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.761 -2.714 -1.541 1.00 0.54 H new ATOM 0 HG SER A 86 -10.886 -2.350 -0.583 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.590 -6.017 -3.557 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.358 -6.655 -4.021 1.00 0.61 C ATOM 1371 C PRO A 87 -8.119 -5.785 -3.825 1.00 0.54 C ATOM 1372 O PRO A 87 -8.222 -4.578 -3.603 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.634 -6.881 -5.500 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.102 -7.136 -5.563 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.724 -6.314 -4.459 1.00 0.59 C ATOM 0 HA PRO A 87 -9.133 -7.564 -3.463 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.355 -6.011 -6.095 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.066 -7.727 -5.887 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.505 -6.850 -6.535 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.319 -8.196 -5.428 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.176 -5.401 -4.847 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.510 -6.866 -3.944 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.923 -6.393 -3.903 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.659 -5.679 -3.728 1.00 0.56 C ATOM 1385 C PRO A 88 -5.291 -4.833 -4.935 1.00 0.48 C ATOM 1386 O PRO A 88 -5.086 -5.350 -6.034 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.620 -6.797 -3.526 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.387 -8.083 -3.491 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.703 -7.821 -4.162 1.00 0.72 C ATOM 0 HA PRO A 88 -5.715 -4.979 -2.894 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.891 -6.801 -4.336 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.066 -6.650 -2.599 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.841 -8.873 -4.006 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.536 -8.416 -2.464 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.662 -8.037 -5.230 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.500 -8.435 -3.743 1.00 0.72 H new ATOM 1397 N SER A 89 -5.200 -3.525 -4.719 1.00 0.43 N ATOM 1398 CA SER A 89 -4.845 -2.606 -5.788 1.00 0.42 C ATOM 1399 C SER A 89 -3.396 -2.820 -6.197 1.00 0.35 C ATOM 1400 O SER A 89 -2.525 -3.004 -5.340 1.00 0.51 O ATOM 1401 CB SER A 89 -5.059 -1.157 -5.352 1.00 0.56 C ATOM 1402 OG SER A 89 -4.285 -0.270 -6.137 1.00 1.28 O ATOM 0 H SER A 89 -5.367 -3.081 -3.816 1.00 0.43 H new ATOM 0 HA SER A 89 -5.491 -2.805 -6.643 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.114 -0.899 -5.440 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.791 -1.047 -4.301 1.00 0.56 H new ATOM 0 HG SER A 89 -4.445 0.651 -5.843 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.159 -2.801 -7.512 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.825 -3.001 -8.095 1.00 0.37 C ATOM 1410 C GLU A 90 -0.710 -2.454 -7.199 1.00 0.34 C ATOM 1411 O GLU A 90 -0.738 -1.290 -6.810 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.754 -2.336 -9.471 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.952 -3.304 -10.625 1.00 0.90 C ATOM 1414 CD GLU A 90 -3.150 -2.951 -11.483 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.243 -1.786 -11.923 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -3.998 -3.839 -11.714 1.00 1.77 O ATOM 0 H GLU A 90 -3.889 -2.646 -8.207 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.671 -4.076 -8.190 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.513 -1.556 -9.528 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.786 -1.847 -9.580 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.056 -3.312 -11.245 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.077 -4.313 -10.231 1.00 0.90 H new ATOM 1423 N PRO A 91 0.288 -3.291 -6.854 1.00 0.30 N ATOM 1424 CA PRO A 91 1.405 -2.877 -5.994 1.00 0.29 C ATOM 1425 C PRO A 91 2.228 -1.737 -6.585 1.00 0.31 C ATOM 1426 O PRO A 91 2.596 -1.762 -7.760 1.00 0.55 O ATOM 1427 CB PRO A 91 2.268 -4.138 -5.879 1.00 0.36 C ATOM 1428 CG PRO A 91 1.368 -5.262 -6.250 1.00 0.36 C ATOM 1429 CD PRO A 91 0.410 -4.702 -7.260 1.00 0.39 C ATOM 0 HA PRO A 91 1.041 -2.497 -5.039 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.130 -4.087 -6.545 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.654 -4.260 -4.867 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.934 -6.095 -6.668 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.838 -5.643 -5.377 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.793 -4.798 -8.276 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.551 -5.215 -7.232 1.00 0.39 H new ATOM 1437 N SER A 92 2.525 -0.746 -5.750 1.00 0.27 N ATOM 1438 CA SER A 92 3.320 0.400 -6.173 1.00 0.31 C ATOM 1439 C SER A 92 4.722 -0.049 -6.538 1.00 0.27 C ATOM 1440 O SER A 92 5.207 -1.063 -6.022 1.00 0.24 O ATOM 1441 CB SER A 92 3.405 1.453 -5.065 1.00 0.39 C ATOM 1442 OG SER A 92 2.914 0.951 -3.840 1.00 1.23 O ATOM 0 H SER A 92 2.226 -0.714 -4.775 1.00 0.27 H new ATOM 0 HA SER A 92 2.832 0.843 -7.041 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.440 1.771 -4.941 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.833 2.335 -5.354 1.00 0.39 H new ATOM 0 HG SER A 92 2.014 0.587 -3.973 1.00 1.23 H new ATOM 1448 N ASP A 93 5.355 0.722 -7.424 1.00 0.33 N ATOM 1449 CA ASP A 93 6.714 0.457 -7.901 1.00 0.36 C ATOM 1450 C ASP A 93 7.575 -0.239 -6.859 1.00 0.32 C ATOM 1451 O ASP A 93 7.456 0.018 -5.660 1.00 0.56 O ATOM 1452 CB ASP A 93 7.386 1.768 -8.302 1.00 0.45 C ATOM 1453 CG ASP A 93 7.608 1.874 -9.797 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.514 1.184 -10.310 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.880 2.645 -10.454 1.00 1.63 O ATOM 0 H ASP A 93 4.935 1.556 -7.835 1.00 0.33 H new ATOM 0 HA ASP A 93 6.624 -0.210 -8.759 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.771 2.604 -7.969 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.344 1.853 -7.789 1.00 0.45 H new ATOM 1460 N ALA A 94 8.448 -1.113 -7.328 1.00 0.33 N ATOM 1461 CA ALA A 94 9.339 -1.836 -6.443 1.00 0.28 C ATOM 1462 C ALA A 94 10.571 -0.990 -6.151 1.00 0.29 C ATOM 1463 O ALA A 94 11.381 -0.728 -7.040 1.00 0.41 O ATOM 1464 CB ALA A 94 9.733 -3.169 -7.059 1.00 0.34 C ATOM 0 H ALA A 94 8.558 -1.338 -8.317 1.00 0.33 H new ATOM 0 HA ALA A 94 8.823 -2.038 -5.505 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.402 -3.699 -6.382 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.839 -3.769 -7.230 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.240 -2.995 -8.008 1.00 0.34 H new ATOM 1470 N ILE A 95 10.700 -0.553 -4.907 1.00 0.25 N ATOM 1471 CA ILE A 95 11.826 0.278 -4.505 1.00 0.28 C ATOM 1472 C ILE A 95 12.927 -0.542 -3.842 1.00 0.26 C ATOM 1473 O ILE A 95 12.735 -1.079 -2.750 1.00 0.25 O ATOM 1474 CB ILE A 95 11.379 1.383 -3.523 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.160 2.135 -4.067 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.526 2.346 -3.258 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.833 1.627 -3.532 1.00 0.44 C ATOM 0 H ILE A 95 10.039 -0.760 -4.158 1.00 0.25 H new ATOM 0 HA ILE A 95 12.217 0.729 -5.417 1.00 0.28 H new ATOM 0 HB ILE A 95 11.093 0.912 -2.582 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.259 3.192 -3.821 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.155 2.060 -5.154 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.198 3.120 -2.564 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.365 1.802 -2.824 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.838 2.807 -4.195 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.019 2.210 -3.964 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.710 0.578 -3.801 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.815 1.728 -2.447 1.00 0.44 H new ATOM 1489 N THR A 96 14.094 -0.629 -4.490 1.00 0.29 N ATOM 1490 CA THR A 96 15.222 -1.378 -3.929 1.00 0.32 C ATOM 1491 C THR A 96 15.407 -1.020 -2.462 1.00 0.32 C ATOM 1492 O THR A 96 15.877 -1.830 -1.664 1.00 0.38 O ATOM 1493 CB THR A 96 16.516 -1.079 -4.687 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.419 -1.503 -6.035 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.733 -1.752 -4.076 1.00 0.43 C ATOM 0 H THR A 96 14.281 -0.195 -5.394 1.00 0.29 H new ATOM 0 HA THR A 96 14.998 -2.440 -4.026 1.00 0.32 H new ATOM 0 HB THR A 96 16.647 0.001 -4.625 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.256 -1.301 -6.503 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.619 -1.501 -4.659 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.864 -1.406 -3.051 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.591 -2.833 -4.079 1.00 0.43 H new ATOM 1503 N CYS A 97 15.023 0.205 -2.116 1.00 0.32 N ATOM 1504 CA CYS A 97 15.132 0.682 -0.745 1.00 0.36 C ATOM 1505 C CYS A 97 16.482 0.330 -0.145 1.00 0.43 C ATOM 1506 O CYS A 97 16.550 -0.304 0.891 1.00 0.64 O ATOM 1507 CB CYS A 97 14.020 0.063 0.100 1.00 0.38 C ATOM 1508 SG CYS A 97 13.232 1.218 1.237 1.00 1.10 S ATOM 0 H CYS A 97 14.633 0.885 -2.769 1.00 0.32 H new ATOM 0 HA CYS A 97 15.035 1.768 -0.752 1.00 0.36 H new ATOM 0 HB2 CYS A 97 13.261 -0.351 -0.564 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.432 -0.769 0.671 1.00 0.38 H new ATOM 0 HG CYS A 97 11.940 1.130 1.119 1.00 1.10 H new ATOM 1514 N ARG A 98 17.554 0.736 -0.801 1.00 0.53 N ATOM 1515 CA ARG A 98 18.894 0.436 -0.300 1.00 0.63 C ATOM 1516 C ARG A 98 19.290 1.403 0.817 1.00 0.80 C ATOM 1517 O ARG A 98 18.975 1.174 1.985 1.00 1.04 O ATOM 1518 CB ARG A 98 19.932 0.447 -1.435 1.00 0.68 C ATOM 1519 CG ARG A 98 19.631 1.428 -2.557 1.00 0.74 C ATOM 1520 CD ARG A 98 20.886 1.782 -3.337 1.00 0.92 C ATOM 1521 NE ARG A 98 21.565 0.594 -3.846 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.180 -0.066 -4.934 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.126 0.347 -5.624 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.850 -1.140 -5.333 1.00 2.68 N ATOM 0 H ARG A 98 17.531 1.268 -1.671 1.00 0.53 H new ATOM 0 HA ARG A 98 18.874 -0.571 0.118 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.909 0.685 -1.014 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.002 -0.556 -1.856 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.892 0.996 -3.231 1.00 0.74 H new ATOM 0 HG3 ARG A 98 19.192 2.335 -2.141 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.624 2.435 -4.170 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.566 2.342 -2.695 1.00 0.92 H new ATOM 0 HE ARG A 98 22.381 0.251 -3.338 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.609 1.172 -5.320 1.00 3.00 H new ATOM 0 HH12 ARG A 98 19.832 -0.160 -6.459 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.662 -1.460 -4.805 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.553 -1.645 -6.168 1.00 2.68 H new ATOM 1538 N ASP A 99 19.972 2.477 0.455 1.00 0.92 N ATOM 1539 CA ASP A 99 20.409 3.482 1.419 1.00 1.20 C ATOM 1540 C ASP A 99 19.633 4.771 1.203 1.00 1.03 C ATOM 1541 O ASP A 99 20.188 5.867 1.275 1.00 1.20 O ATOM 1542 CB ASP A 99 21.902 3.744 1.235 1.00 1.61 C ATOM 1543 CG ASP A 99 22.220 4.384 -0.101 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.409 4.235 -1.040 1.00 2.14 O ATOM 1545 OD2 ASP A 99 23.279 5.036 -0.210 1.00 2.08 O ATOM 0 H ASP A 99 20.239 2.679 -0.509 1.00 0.92 H new ATOM 0 HA ASP A 99 20.225 3.119 2.430 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.255 4.392 2.037 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.446 2.803 1.322 1.00 1.61 H new ATOM 1550 N ASP A 100 18.346 4.630 0.910 1.00 0.85 N ATOM 1551 CA ASP A 100 17.488 5.780 0.647 1.00 0.92 C ATOM 1552 C ASP A 100 18.147 6.748 -0.337 1.00 1.22 C ATOM 1553 O ASP A 100 17.805 7.928 -0.387 1.00 1.38 O ATOM 1554 CB ASP A 100 17.147 6.502 1.946 1.00 0.87 C ATOM 1555 CG ASP A 100 16.174 7.645 1.739 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.309 7.536 0.843 1.00 2.06 O ATOM 1557 OD2 ASP A 100 16.278 8.653 2.469 1.00 2.03 O ATOM 0 H ASP A 100 17.872 3.729 0.848 1.00 0.85 H new ATOM 0 HA ASP A 100 16.566 5.412 0.196 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.720 5.790 2.652 1.00 0.87 H new ATOM 0 HB3 ASP A 100 18.063 6.886 2.395 1.00 0.87 H new ATOM 1562 N VAL A 101 19.087 6.230 -1.120 1.00 1.43 N ATOM 1563 CA VAL A 101 19.793 7.017 -2.111 1.00 1.90 C ATOM 1564 C VAL A 101 19.431 6.541 -3.510 1.00 2.23 C ATOM 1565 O VAL A 101 19.487 7.304 -4.474 1.00 2.80 O ATOM 1566 CB VAL A 101 21.319 6.903 -1.936 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.832 7.941 -0.950 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.717 5.498 -1.504 1.00 2.22 C ATOM 0 H VAL A 101 19.377 5.253 -1.082 1.00 1.43 H new ATOM 0 HA VAL A 101 19.496 8.057 -1.975 1.00 1.90 H new ATOM 0 HB VAL A 101 21.782 7.099 -2.903 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.912 7.840 -0.844 1.00 2.67 H new ATOM 0 HG12 VAL A 101 21.596 8.940 -1.317 1.00 2.67 H new ATOM 0 HG13 VAL A 101 21.356 7.789 0.019 1.00 2.67 H new ATOM 0 HG21 VAL A 101 22.800 5.446 -1.388 1.00 2.22 H new ATOM 0 HG22 VAL A 101 21.238 5.260 -0.554 1.00 2.22 H new ATOM 0 HG23 VAL A 101 21.398 4.781 -2.260 1.00 2.22 H new ATOM 1578 N GLU A 102 19.058 5.265 -3.612 1.00 1.99 N ATOM 1579 CA GLU A 102 18.686 4.679 -4.893 1.00 2.40 C ATOM 1580 C GLU A 102 19.750 4.966 -5.949 1.00 2.00 C ATOM 1581 O GLU A 102 19.452 5.501 -7.017 1.00 2.49 O ATOM 1582 CB GLU A 102 17.334 5.228 -5.349 1.00 3.22 C ATOM 1583 CG GLU A 102 16.152 4.387 -4.894 1.00 3.87 C ATOM 1584 CD GLU A 102 16.558 2.984 -4.485 1.00 4.18 C ATOM 1585 OE1 GLU A 102 17.308 2.848 -3.496 1.00 4.47 O ATOM 1586 OE2 GLU A 102 16.124 2.022 -5.154 1.00 4.58 O ATOM 0 H GLU A 102 19.007 4.621 -2.823 1.00 1.99 H new ATOM 0 HA GLU A 102 18.609 3.599 -4.767 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.216 6.242 -4.968 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.326 5.293 -6.437 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.663 4.879 -4.054 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.420 4.329 -5.700 1.00 3.87 H new ATOM 1593 N ALA A 103 20.992 4.611 -5.638 1.00 1.84 N ATOM 1594 CA ALA A 103 22.103 4.831 -6.555 1.00 2.56 C ATOM 1595 C ALA A 103 23.382 4.182 -6.034 1.00 3.21 C ATOM 1596 O ALA A 103 23.287 3.347 -5.110 1.00 3.72 O ATOM 1597 CB ALA A 103 22.317 6.322 -6.773 1.00 3.26 C ATOM 1598 OXT ALA A 103 24.468 4.515 -6.555 1.00 3.79 O ATOM 0 H ALA A 103 21.254 4.169 -4.757 1.00 1.84 H new ATOM 0 HA ALA A 103 21.854 4.366 -7.509 1.00 2.56 H new ATOM 0 HB1 ALA A 103 23.150 6.473 -7.460 1.00 3.26 H new ATOM 0 HB2 ALA A 103 21.413 6.761 -7.196 1.00 3.26 H new ATOM 0 HB3 ALA A 103 22.541 6.801 -5.820 1.00 3.26 H new TER 1604 ALA A 103