USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 68 HIS : no HE2:sc= 0.668 K(o=1.4,f=-4.1!) USER MOD Set 1.2: A 81 THR OG1 : rot -109:sc= 0.708 USER MOD Set 2.1: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -29:sc= 0.145 USER MOD Single : A 17 SER OG : rot -113:sc= 0.922 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.479 K(o=0.48,f=-0.24) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 29 THR OG1 : rot 154:sc= -1.73! USER MOD Single : A 30 SER OG : rot 85:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.111) USER MOD Single : A 39 SER OG : rot 79:sc= -0.922! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 75:sc= 1.21 USER MOD Single : A 49 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.9) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 47:sc= 0.0699 USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.162 F(o=-1.5!,f=-0.16) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= -0.911 (180deg=-2.75!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0708 X(o=-0.071,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.273 9.058 3.379 1.00 0.00 N ATOM 82 CA PRO A 6 -6.978 9.341 4.002 1.00 0.00 C ATOM 83 C PRO A 6 -6.365 8.107 4.657 1.00 0.00 C ATOM 84 O PRO A 6 -7.067 7.149 5.000 1.00 0.00 O ATOM 85 CB PRO A 6 -7.302 10.402 5.056 1.00 0.00 C ATOM 86 CG PRO A 6 -8.747 10.214 5.358 1.00 0.00 C ATOM 87 CD PRO A 6 -9.380 9.726 4.087 1.00 0.00 C ATOM 0 HA PRO A 6 -6.242 9.668 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.691 10.271 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.104 11.406 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.886 9.493 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.201 11.149 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.201 9.037 4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.790 10.549 3.502 1.00 0.00 H new ATOM 95 N ILE A 7 -5.054 8.147 4.848 1.00 0.00 N ATOM 96 CA ILE A 7 -4.312 7.003 5.364 1.00 0.00 C ATOM 97 C ILE A 7 -4.752 6.624 6.780 1.00 0.00 C ATOM 98 O ILE A 7 -4.706 5.457 7.154 1.00 0.00 O ATOM 99 CB ILE A 7 -2.788 7.262 5.334 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.021 5.996 5.719 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.414 8.416 6.252 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.312 4.822 4.815 1.00 0.00 C ATOM 0 H ILE A 7 -4.478 8.965 4.652 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.537 6.163 4.706 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.511 7.537 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.952 6.207 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.271 5.726 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.337 8.578 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.929 9.320 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.708 8.178 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.735 3.958 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.375 4.586 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.036 5.074 3.791 1.00 0.00 H new ATOM 114 N THR A 8 -5.221 7.605 7.547 1.00 0.00 N ATOM 115 CA THR A 8 -5.649 7.365 8.922 1.00 0.00 C ATOM 116 C THR A 8 -6.833 6.392 8.971 1.00 0.00 C ATOM 117 O THR A 8 -7.146 5.831 10.021 1.00 0.00 O ATOM 118 CB THR A 8 -6.023 8.690 9.629 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.351 8.453 11.006 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.197 9.371 8.936 1.00 0.00 C ATOM 0 H THR A 8 -5.314 8.573 7.240 1.00 0.00 H new ATOM 0 HA THR A 8 -4.809 6.915 9.450 1.00 0.00 H new ATOM 0 HB THR A 8 -5.156 9.348 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.720 7.550 11.104 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.437 10.299 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.931 9.591 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.064 8.710 8.955 1.00 0.00 H new ATOM 128 N GLU A 9 -7.478 6.200 7.831 1.00 0.00 N ATOM 129 CA GLU A 9 -8.572 5.253 7.716 1.00 0.00 C ATOM 130 C GLU A 9 -8.109 3.977 7.031 1.00 0.00 C ATOM 131 O GLU A 9 -8.334 2.872 7.528 1.00 0.00 O ATOM 132 CB GLU A 9 -9.723 5.872 6.926 1.00 0.00 C ATOM 133 CG GLU A 9 -10.609 6.782 7.753 1.00 0.00 C ATOM 134 CD GLU A 9 -11.424 6.002 8.763 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.889 5.693 9.851 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.588 5.670 8.463 1.00 0.00 O ATOM 0 H GLU A 9 -7.259 6.693 6.966 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.916 5.006 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.314 6.439 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.332 5.074 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.993 7.517 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.278 7.335 7.094 1.00 0.00 H new ATOM 143 N VAL A 10 -7.432 4.136 5.904 1.00 0.00 N ATOM 144 CA VAL A 10 -7.079 3.002 5.066 1.00 0.00 C ATOM 145 C VAL A 10 -6.006 2.131 5.712 1.00 0.00 C ATOM 146 O VAL A 10 -6.029 0.916 5.565 1.00 0.00 O ATOM 147 CB VAL A 10 -6.617 3.464 3.668 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.201 2.279 2.811 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.721 4.253 2.982 1.00 0.00 C ATOM 0 H VAL A 10 -7.117 5.039 5.549 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.980 2.399 4.954 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.749 4.111 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.880 2.633 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.378 1.752 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.046 1.601 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.381 4.573 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.605 3.624 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.969 5.129 3.582 1.00 0.00 H new ATOM 159 N LEU A 11 -5.086 2.752 6.446 1.00 0.00 N ATOM 160 CA LEU A 11 -4.009 2.019 7.106 1.00 0.00 C ATOM 161 C LEU A 11 -4.545 0.900 8.020 1.00 0.00 C ATOM 162 O LEU A 11 -4.291 -0.277 7.759 1.00 0.00 O ATOM 163 CB LEU A 11 -3.111 2.995 7.883 1.00 0.00 C ATOM 164 CG LEU A 11 -2.246 2.371 8.980 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.265 1.370 8.395 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.512 3.453 9.758 1.00 0.00 C ATOM 0 H LEU A 11 -5.065 3.760 6.599 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.412 1.530 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.456 3.501 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.743 3.760 8.335 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.901 1.836 9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.662 0.941 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.814 0.576 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.614 1.874 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.901 2.992 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.872 4.018 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.236 4.126 10.218 1.00 0.00 H new ATOM 178 N PRO A 12 -5.299 1.227 9.092 1.00 0.00 N ATOM 179 CA PRO A 12 -5.807 0.214 10.024 1.00 0.00 C ATOM 180 C PRO A 12 -6.851 -0.708 9.396 1.00 0.00 C ATOM 181 O PRO A 12 -6.910 -1.897 9.715 1.00 0.00 O ATOM 182 CB PRO A 12 -6.434 1.041 11.149 1.00 0.00 C ATOM 183 CG PRO A 12 -6.758 2.353 10.526 1.00 0.00 C ATOM 184 CD PRO A 12 -5.698 2.589 9.494 1.00 0.00 C ATOM 0 HA PRO A 12 -5.012 -0.454 10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.329 0.559 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.743 1.160 11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.749 2.336 10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.762 3.149 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.081 3.161 8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.857 3.149 9.903 1.00 0.00 H new ATOM 192 N ARG A 13 -7.657 -0.169 8.489 1.00 0.00 N ATOM 193 CA ARG A 13 -8.764 -0.919 7.913 1.00 0.00 C ATOM 194 C ARG A 13 -8.321 -1.754 6.707 1.00 0.00 C ATOM 195 O ARG A 13 -9.139 -2.424 6.073 1.00 0.00 O ATOM 196 CB ARG A 13 -9.877 0.047 7.515 1.00 0.00 C ATOM 197 CG ARG A 13 -10.385 0.897 8.672 1.00 0.00 C ATOM 198 CD ARG A 13 -11.451 1.886 8.224 1.00 0.00 C ATOM 199 NE ARG A 13 -11.852 2.795 9.300 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.979 2.671 10.003 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.831 1.687 9.737 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.262 3.546 10.961 1.00 0.00 N ATOM 0 H ARG A 13 -7.564 0.784 8.137 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.134 -1.615 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.512 0.703 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.709 -0.521 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.794 0.248 9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.551 1.439 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.074 2.467 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.324 1.339 7.869 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.231 3.572 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.625 1.021 8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.691 1.597 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.618 4.312 11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.123 3.452 11.499 1.00 0.00 H new ATOM 216 N ALA A 14 -7.029 -1.722 6.400 1.00 0.00 N ATOM 217 CA ALA A 14 -6.488 -2.484 5.278 1.00 0.00 C ATOM 218 C ALA A 14 -6.252 -3.940 5.660 1.00 0.00 C ATOM 219 O ALA A 14 -6.199 -4.288 6.841 1.00 0.00 O ATOM 220 CB ALA A 14 -5.191 -1.862 4.782 1.00 0.00 C ATOM 0 H ALA A 14 -6.336 -1.177 6.912 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.225 -2.455 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.804 -2.445 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.380 -0.839 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.459 -1.856 5.589 1.00 0.00 H new ATOM 226 N VAL A 15 -6.111 -4.784 4.646 1.00 0.00 N ATOM 227 CA VAL A 15 -5.848 -6.204 4.847 1.00 0.00 C ATOM 228 C VAL A 15 -4.556 -6.618 4.142 1.00 0.00 C ATOM 229 O VAL A 15 -4.132 -7.772 4.209 1.00 0.00 O ATOM 230 CB VAL A 15 -7.014 -7.073 4.325 1.00 0.00 C ATOM 231 CG1 VAL A 15 -8.278 -6.823 5.135 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.268 -6.802 2.850 1.00 0.00 C ATOM 0 H VAL A 15 -6.175 -4.506 3.667 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.745 -6.365 5.920 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.733 -8.120 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.086 -7.445 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.095 -7.071 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.559 -5.773 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.093 -7.424 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.523 -5.751 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.371 -7.036 2.277 1.00 0.00 H new ATOM 242 N GLY A 16 -3.935 -5.666 3.466 1.00 0.00 N ATOM 243 CA GLY A 16 -2.709 -5.929 2.752 1.00 0.00 C ATOM 244 C GLY A 16 -2.009 -4.637 2.418 1.00 0.00 C ATOM 245 O GLY A 16 -2.642 -3.583 2.397 1.00 0.00 O ATOM 0 H GLY A 16 -4.265 -4.703 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.056 -6.558 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.925 -6.480 1.837 1.00 0.00 H new ATOM 249 N SER A 17 -0.715 -4.692 2.172 1.00 0.00 N ATOM 250 CA SER A 17 0.040 -3.484 1.894 1.00 0.00 C ATOM 251 C SER A 17 1.265 -3.778 1.037 1.00 0.00 C ATOM 252 O SER A 17 2.046 -4.685 1.331 1.00 0.00 O ATOM 253 CB SER A 17 0.454 -2.823 3.212 1.00 0.00 C ATOM 254 OG SER A 17 -0.680 -2.514 4.008 1.00 0.00 O ATOM 0 H SER A 17 -0.167 -5.552 2.159 1.00 0.00 H new ATOM 0 HA SER A 17 -0.597 -2.802 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.118 -3.489 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.016 -1.912 3.005 1.00 0.00 H new ATOM 0 HG SER A 17 -0.777 -1.541 4.075 1.00 0.00 H new ATOM 260 N LEU A 18 1.414 -3.012 -0.032 1.00 0.00 N ATOM 261 CA LEU A 18 2.570 -3.120 -0.904 1.00 0.00 C ATOM 262 C LEU A 18 3.469 -1.905 -0.740 1.00 0.00 C ATOM 263 O LEU A 18 3.063 -0.780 -1.024 1.00 0.00 O ATOM 264 CB LEU A 18 2.141 -3.247 -2.363 1.00 0.00 C ATOM 265 CG LEU A 18 1.911 -4.677 -2.851 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.339 -4.679 -4.259 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.211 -5.459 -2.818 1.00 0.00 C ATOM 0 H LEU A 18 0.740 -2.302 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 18 3.122 -4.017 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.222 -2.679 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.902 -2.784 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 18 1.193 -5.154 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.183 -5.707 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.387 -4.147 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.036 -4.184 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.033 -6.476 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.943 -4.975 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.592 -5.488 -1.797 1.00 0.00 H new ATOM 279 N THR A 19 4.682 -2.138 -0.288 1.00 0.00 N ATOM 280 CA THR A 19 5.637 -1.066 -0.084 1.00 0.00 C ATOM 281 C THR A 19 6.495 -0.886 -1.332 1.00 0.00 C ATOM 282 O THR A 19 7.264 -1.773 -1.696 1.00 0.00 O ATOM 283 CB THR A 19 6.542 -1.359 1.125 1.00 0.00 C ATOM 284 OG1 THR A 19 5.740 -1.733 2.256 1.00 0.00 O ATOM 285 CG2 THR A 19 7.386 -0.143 1.478 1.00 0.00 C ATOM 0 H THR A 19 5.034 -3.066 -0.053 1.00 0.00 H new ATOM 0 HA THR A 19 5.081 -0.149 0.111 1.00 0.00 H new ATOM 0 HB THR A 19 7.209 -2.180 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.322 -1.920 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.017 -0.375 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.013 0.124 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.733 0.694 1.724 1.00 0.00 H new ATOM 293 N PHE A 20 6.338 0.248 -1.992 1.00 0.00 N ATOM 294 CA PHE A 20 7.079 0.548 -3.207 1.00 0.00 C ATOM 295 C PHE A 20 8.129 1.623 -2.957 1.00 0.00 C ATOM 296 O PHE A 20 8.011 2.443 -2.041 1.00 0.00 O ATOM 297 CB PHE A 20 6.137 1.007 -4.325 1.00 0.00 C ATOM 298 CG PHE A 20 5.480 -0.105 -5.083 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.671 -1.025 -4.445 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.671 -0.220 -6.451 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.062 -2.041 -5.155 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.063 -1.231 -7.166 1.00 0.00 C ATOM 303 CZ PHE A 20 4.258 -2.141 -6.516 1.00 0.00 C ATOM 0 H PHE A 20 5.696 0.986 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 20 7.579 -0.370 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.363 1.641 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.700 1.624 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.513 -0.949 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.303 0.490 -6.963 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.433 -2.756 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.217 -1.309 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.780 -2.933 -7.073 1.00 0.00 H new ATOM 313 N ASP A 21 9.155 1.607 -3.783 1.00 0.00 N ATOM 314 CA ASP A 21 10.242 2.563 -3.690 1.00 0.00 C ATOM 315 C ASP A 21 9.927 3.816 -4.496 1.00 0.00 C ATOM 316 O ASP A 21 9.018 3.817 -5.326 1.00 0.00 O ATOM 317 CB ASP A 21 11.536 1.909 -4.192 1.00 0.00 C ATOM 318 CG ASP A 21 12.711 2.860 -4.223 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.126 3.338 -3.153 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.210 3.150 -5.326 1.00 0.00 O ATOM 0 H ASP A 21 9.260 0.930 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 21 10.370 2.860 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.780 1.062 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.370 1.513 -5.194 1.00 0.00 H new ATOM 325 N GLU A 22 10.688 4.875 -4.247 1.00 0.00 N ATOM 326 CA GLU A 22 10.534 6.136 -4.956 1.00 0.00 C ATOM 327 C GLU A 22 10.796 5.963 -6.456 1.00 0.00 C ATOM 328 O GLU A 22 10.288 6.730 -7.273 1.00 0.00 O ATOM 329 CB GLU A 22 11.487 7.173 -4.360 1.00 0.00 C ATOM 330 CG GLU A 22 12.921 6.682 -4.246 1.00 0.00 C ATOM 331 CD GLU A 22 13.843 7.699 -3.612 1.00 0.00 C ATOM 332 OE1 GLU A 22 14.354 8.577 -4.338 1.00 0.00 O ATOM 333 OE2 GLU A 22 14.074 7.618 -2.386 1.00 0.00 O ATOM 0 H GLU A 22 11.430 4.882 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 22 9.506 6.480 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.467 8.071 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.129 7.458 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.940 5.765 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.294 6.431 -5.239 1.00 0.00 H new ATOM 340 N ASN A 23 11.578 4.943 -6.809 1.00 0.00 N ATOM 341 CA ASN A 23 11.867 4.632 -8.202 1.00 0.00 C ATOM 342 C ASN A 23 10.856 3.631 -8.749 1.00 0.00 C ATOM 343 O ASN A 23 11.069 3.028 -9.803 1.00 0.00 O ATOM 344 CB ASN A 23 13.281 4.065 -8.339 1.00 0.00 C ATOM 345 CG ASN A 23 14.350 5.043 -7.889 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.859 5.835 -8.682 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.706 4.987 -6.615 1.00 0.00 N ATOM 0 H ASN A 23 12.024 4.315 -6.140 1.00 0.00 H new ATOM 0 HA ASN A 23 11.796 5.555 -8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.360 3.151 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.459 3.791 -9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.427 5.615 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.260 4.316 -5.990 1.00 0.00 H new ATOM 354 N TYR A 24 9.763 3.457 -8.007 1.00 0.00 N ATOM 355 CA TYR A 24 8.641 2.611 -8.415 1.00 0.00 C ATOM 356 C TYR A 24 9.042 1.142 -8.543 1.00 0.00 C ATOM 357 O TYR A 24 8.632 0.447 -9.476 1.00 0.00 O ATOM 358 CB TYR A 24 8.029 3.134 -9.718 1.00 0.00 C ATOM 359 CG TYR A 24 7.520 4.551 -9.593 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.329 4.823 -8.934 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.240 5.616 -10.117 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.870 6.117 -8.799 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.785 6.914 -9.992 1.00 0.00 C ATOM 364 CZ TYR A 24 6.600 7.159 -9.329 1.00 0.00 C ATOM 365 OH TYR A 24 6.145 8.452 -9.196 1.00 0.00 O ATOM 0 H TYR A 24 9.630 3.902 -7.099 1.00 0.00 H new ATOM 0 HA TYR A 24 7.887 2.661 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.777 3.089 -10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.208 2.482 -10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.753 4.009 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.171 5.426 -10.631 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.943 6.313 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.353 7.732 -10.410 1.00 0.00 H new ATOM 0 HH TYR A 24 6.777 9.067 -9.624 1.00 0.00 H new ATOM 375 N ASN A 25 9.832 0.671 -7.589 1.00 0.00 N ATOM 376 CA ASN A 25 10.157 -0.748 -7.495 1.00 0.00 C ATOM 377 C ASN A 25 9.577 -1.306 -6.206 1.00 0.00 C ATOM 378 O ASN A 25 9.506 -0.599 -5.206 1.00 0.00 O ATOM 379 CB ASN A 25 11.673 -0.984 -7.522 1.00 0.00 C ATOM 380 CG ASN A 25 12.331 -0.472 -8.789 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.346 -1.152 -9.816 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.915 0.713 -8.710 1.00 0.00 N ATOM 0 H ASN A 25 10.261 1.250 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 25 9.725 -1.256 -8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.127 -0.494 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.871 -2.051 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.402 1.097 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.878 1.243 -7.839 1.00 0.00 H new ATOM 389 N LEU A 26 9.144 -2.554 -6.226 1.00 0.00 N ATOM 390 CA LEU A 26 8.574 -3.171 -5.044 1.00 0.00 C ATOM 391 C LEU A 26 9.650 -3.429 -3.988 1.00 0.00 C ATOM 392 O LEU A 26 10.702 -4.004 -4.280 1.00 0.00 O ATOM 393 CB LEU A 26 7.868 -4.472 -5.423 1.00 0.00 C ATOM 394 CG LEU A 26 7.307 -5.274 -4.254 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.369 -4.417 -3.424 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.590 -6.511 -4.764 1.00 0.00 C ATOM 0 H LEU A 26 9.177 -3.158 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 26 7.843 -2.486 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.052 -4.237 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.570 -5.101 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 26 8.134 -5.590 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.978 -5.005 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.912 -3.556 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.543 -4.074 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.194 -7.076 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.771 -6.213 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.290 -7.134 -5.321 1.00 0.00 H new ATOM 408 N LEU A 27 9.382 -2.982 -2.770 1.00 0.00 N ATOM 409 CA LEU A 27 10.296 -3.172 -1.652 1.00 0.00 C ATOM 410 C LEU A 27 9.804 -4.289 -0.739 1.00 0.00 C ATOM 411 O LEU A 27 10.545 -5.220 -0.420 1.00 0.00 O ATOM 412 CB LEU A 27 10.413 -1.883 -0.837 1.00 0.00 C ATOM 413 CG LEU A 27 10.976 -0.678 -1.587 1.00 0.00 C ATOM 414 CD1 LEU A 27 10.846 0.577 -0.739 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.429 -0.917 -1.963 1.00 0.00 C ATOM 0 H LEU A 27 8.528 -2.479 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 27 11.271 -3.440 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.425 -1.623 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.046 -2.078 0.029 1.00 0.00 H new ATOM 0 HG LEU A 27 10.402 -0.540 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.251 1.429 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.795 0.757 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.399 0.446 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.814 -0.048 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.017 -1.078 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.499 -1.797 -2.603 1.00 0.00 H new ATOM 427 N ASP A 28 8.545 -4.188 -0.326 1.00 0.00 N ATOM 428 CA ASP A 28 7.977 -5.113 0.650 1.00 0.00 C ATOM 429 C ASP A 28 6.543 -5.479 0.295 1.00 0.00 C ATOM 430 O ASP A 28 5.758 -4.624 -0.106 1.00 0.00 O ATOM 431 CB ASP A 28 8.020 -4.483 2.044 1.00 0.00 C ATOM 432 CG ASP A 28 7.262 -5.288 3.083 1.00 0.00 C ATOM 433 OD1 ASP A 28 6.046 -5.060 3.251 1.00 0.00 O ATOM 434 OD2 ASP A 28 7.882 -6.144 3.746 1.00 0.00 O ATOM 0 H ASP A 28 7.896 -3.472 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 28 8.572 -6.026 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.059 -4.381 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.602 -3.478 1.995 1.00 0.00 H new ATOM 439 N THR A 29 6.212 -6.751 0.441 1.00 0.00 N ATOM 440 CA THR A 29 4.861 -7.221 0.204 1.00 0.00 C ATOM 441 C THR A 29 4.274 -7.810 1.484 1.00 0.00 C ATOM 442 O THR A 29 4.814 -8.771 2.039 1.00 0.00 O ATOM 443 CB THR A 29 4.839 -8.286 -0.903 1.00 0.00 C ATOM 444 OG1 THR A 29 5.582 -7.823 -2.038 1.00 0.00 O ATOM 445 CG2 THR A 29 3.413 -8.601 -1.320 1.00 0.00 C ATOM 0 H THR A 29 6.867 -7.480 0.725 1.00 0.00 H new ATOM 0 HA THR A 29 4.260 -6.369 -0.114 1.00 0.00 H new ATOM 0 HB THR A 29 5.296 -9.196 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.922 -8.592 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.422 -9.357 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.857 -8.976 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.935 -7.696 -1.694 1.00 0.00 H new ATOM 453 N SER A 30 3.179 -7.233 1.959 1.00 0.00 N ATOM 454 CA SER A 30 2.554 -7.688 3.190 1.00 0.00 C ATOM 455 C SER A 30 1.044 -7.844 3.017 1.00 0.00 C ATOM 456 O SER A 30 0.441 -7.219 2.142 1.00 0.00 O ATOM 457 CB SER A 30 2.861 -6.703 4.319 1.00 0.00 C ATOM 458 OG SER A 30 4.259 -6.618 4.559 1.00 0.00 O ATOM 0 H SER A 30 2.706 -6.449 1.510 1.00 0.00 H new ATOM 0 HA SER A 30 2.963 -8.666 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.473 -5.718 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.351 -7.018 5.229 1.00 0.00 H new ATOM 0 HG SER A 30 4.659 -5.976 3.937 1.00 0.00 H new ATOM 464 N GLY A 31 0.446 -8.693 3.845 1.00 0.00 N ATOM 465 CA GLY A 31 -0.993 -8.879 3.824 1.00 0.00 C ATOM 466 C GLY A 31 -1.470 -9.640 2.606 1.00 0.00 C ATOM 467 O GLY A 31 -0.712 -10.389 1.994 1.00 0.00 O ATOM 0 H GLY A 31 0.937 -9.260 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.298 -9.414 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.481 -7.905 3.852 1.00 0.00 H new ATOM 471 N VAL A 32 -2.727 -9.423 2.237 1.00 0.00 N ATOM 472 CA VAL A 32 -3.330 -10.094 1.086 1.00 0.00 C ATOM 473 C VAL A 32 -2.589 -9.748 -0.207 1.00 0.00 C ATOM 474 O VAL A 32 -2.675 -10.469 -1.202 1.00 0.00 O ATOM 475 CB VAL A 32 -4.819 -9.712 0.946 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.470 -10.472 -0.197 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.558 -9.976 2.246 1.00 0.00 C ATOM 0 H VAL A 32 -3.355 -8.782 2.722 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.252 -11.168 1.257 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.876 -8.647 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.519 -10.185 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.959 -10.234 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.400 -11.543 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.607 -9.701 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.485 -11.034 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.113 -9.382 3.044 1.00 0.00 H new ATOM 487 N ALA A 33 -1.829 -8.662 -0.172 1.00 0.00 N ATOM 488 CA ALA A 33 -1.071 -8.214 -1.332 1.00 0.00 C ATOM 489 C ALA A 33 -0.027 -9.250 -1.747 1.00 0.00 C ATOM 490 O ALA A 33 0.526 -9.178 -2.842 1.00 0.00 O ATOM 491 CB ALA A 33 -0.407 -6.878 -1.041 1.00 0.00 C ATOM 0 H ALA A 33 -1.721 -8.072 0.653 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.766 -8.090 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.157 -6.554 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.170 -6.136 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.269 -6.985 -0.193 1.00 0.00 H new ATOM 497 N LYS A 34 0.237 -10.212 -0.865 1.00 0.00 N ATOM 498 CA LYS A 34 1.199 -11.263 -1.146 1.00 0.00 C ATOM 499 C LYS A 34 0.656 -12.239 -2.184 1.00 0.00 C ATOM 500 O LYS A 34 1.396 -12.722 -3.038 1.00 0.00 O ATOM 501 CB LYS A 34 1.558 -12.010 0.141 1.00 0.00 C ATOM 502 CG LYS A 34 2.207 -11.128 1.196 1.00 0.00 C ATOM 503 CD LYS A 34 2.515 -11.896 2.474 1.00 0.00 C ATOM 504 CE LYS A 34 1.258 -12.490 3.094 1.00 0.00 C ATOM 505 NZ LYS A 34 1.527 -13.097 4.424 1.00 0.00 N ATOM 0 H LYS A 34 -0.206 -10.281 0.051 1.00 0.00 H new ATOM 0 HA LYS A 34 2.098 -10.799 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.654 -12.455 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.234 -12.830 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.129 -10.705 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.546 -10.292 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.225 -12.694 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.994 -11.230 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.502 -11.712 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.847 -13.247 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.645 -13.490 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.230 -13.857 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.895 -12.369 5.070 1.00 0.00 H new ATOM 519 N VAL A 35 -0.642 -12.516 -2.117 1.00 0.00 N ATOM 520 CA VAL A 35 -1.266 -13.455 -3.044 1.00 0.00 C ATOM 521 C VAL A 35 -1.837 -12.724 -4.258 1.00 0.00 C ATOM 522 O VAL A 35 -2.040 -13.320 -5.317 1.00 0.00 O ATOM 523 CB VAL A 35 -2.375 -14.288 -2.364 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.791 -15.139 -1.247 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.486 -13.396 -1.831 1.00 0.00 C ATOM 0 H VAL A 35 -1.280 -12.106 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.485 -14.140 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.808 -14.948 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.586 -15.720 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.042 -15.815 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.326 -14.493 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.251 -14.011 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.075 -12.701 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.929 -12.835 -2.654 1.00 0.00 H new ATOM 535 N ILE A 36 -2.091 -11.431 -4.095 1.00 0.00 N ATOM 536 CA ILE A 36 -2.553 -10.590 -5.192 1.00 0.00 C ATOM 537 C ILE A 36 -1.420 -10.356 -6.199 1.00 0.00 C ATOM 538 O ILE A 36 -0.247 -10.314 -5.822 1.00 0.00 O ATOM 539 CB ILE A 36 -3.086 -9.243 -4.643 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.415 -9.462 -3.909 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.260 -8.216 -5.751 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.877 -8.253 -3.127 1.00 0.00 C ATOM 0 H ILE A 36 -1.984 -10.940 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.367 -11.099 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.348 -8.852 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.182 -9.730 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.310 -10.307 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.635 -7.284 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.299 -8.035 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.970 -8.592 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.822 -8.478 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.128 -7.997 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.014 -7.411 -3.806 1.00 0.00 H new ATOM 554 N GLU A 37 -1.764 -10.245 -7.477 1.00 0.00 N ATOM 555 CA GLU A 37 -0.769 -10.019 -8.517 1.00 0.00 C ATOM 556 C GLU A 37 -0.213 -8.597 -8.433 1.00 0.00 C ATOM 557 O GLU A 37 -0.964 -7.638 -8.244 1.00 0.00 O ATOM 558 CB GLU A 37 -1.368 -10.295 -9.899 1.00 0.00 C ATOM 559 CG GLU A 37 -2.642 -9.515 -10.195 1.00 0.00 C ATOM 560 CD GLU A 37 -3.195 -9.809 -11.574 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.506 -9.509 -12.571 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.308 -10.362 -11.673 1.00 0.00 O ATOM 0 H GLU A 37 -2.724 -10.308 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 37 0.058 -10.711 -8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.624 -10.056 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.580 -11.361 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.395 -9.758 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.439 -8.448 -10.108 1.00 0.00 H new ATOM 569 N LYS A 38 1.105 -8.475 -8.583 1.00 0.00 N ATOM 570 CA LYS A 38 1.795 -7.194 -8.421 1.00 0.00 C ATOM 571 C LYS A 38 1.262 -6.149 -9.396 1.00 0.00 C ATOM 572 O LYS A 38 1.045 -5.003 -9.017 1.00 0.00 O ATOM 573 CB LYS A 38 3.310 -7.367 -8.591 1.00 0.00 C ATOM 574 CG LYS A 38 4.033 -7.799 -7.318 1.00 0.00 C ATOM 575 CD LYS A 38 3.432 -9.061 -6.718 1.00 0.00 C ATOM 576 CE LYS A 38 4.171 -9.495 -5.462 1.00 0.00 C ATOM 577 NZ LYS A 38 5.568 -9.916 -5.749 1.00 0.00 N ATOM 0 H LYS A 38 1.721 -9.253 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 38 1.599 -6.838 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.496 -8.106 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.736 -6.425 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.086 -7.970 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.989 -6.993 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.383 -8.887 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.463 -9.864 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.181 -8.673 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.634 -10.320 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.977 -10.360 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.571 -10.598 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.134 -9.084 -6.012 1.00 0.00 H new ATOM 591 N SER A 39 1.080 -6.553 -10.654 1.00 0.00 N ATOM 592 CA SER A 39 0.388 -5.729 -11.650 1.00 0.00 C ATOM 593 C SER A 39 1.173 -4.454 -12.007 1.00 0.00 C ATOM 594 O SER A 39 2.211 -4.162 -11.409 1.00 0.00 O ATOM 595 CB SER A 39 -1.009 -5.371 -11.124 1.00 0.00 C ATOM 596 OG SER A 39 -1.734 -6.539 -10.774 1.00 0.00 O ATOM 0 H SER A 39 1.404 -7.452 -11.010 1.00 0.00 H new ATOM 0 HA SER A 39 0.304 -6.310 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.918 -4.720 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.556 -4.813 -11.884 1.00 0.00 H new ATOM 0 HG SER A 39 -1.437 -6.858 -9.896 1.00 0.00 H new ATOM 602 N PRO A 40 0.701 -3.690 -13.017 1.00 0.00 N ATOM 603 CA PRO A 40 1.270 -2.383 -13.370 1.00 0.00 C ATOM 604 C PRO A 40 0.833 -1.283 -12.400 1.00 0.00 C ATOM 605 O PRO A 40 0.554 -0.154 -12.807 1.00 0.00 O ATOM 606 CB PRO A 40 0.698 -2.098 -14.772 1.00 0.00 C ATOM 607 CG PRO A 40 -0.006 -3.345 -15.192 1.00 0.00 C ATOM 608 CD PRO A 40 -0.392 -4.050 -13.928 1.00 0.00 C ATOM 0 HA PRO A 40 2.359 -2.397 -13.333 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.011 -1.252 -14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.493 -1.844 -15.473 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.885 -3.113 -15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.642 -3.971 -15.805 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.359 -3.713 -13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.463 -5.128 -14.070 1.00 0.00 H new ATOM 616 N ILE A 41 0.798 -1.618 -11.114 1.00 0.00 N ATOM 617 CA ILE A 41 0.361 -0.683 -10.083 1.00 0.00 C ATOM 618 C ILE A 41 1.265 0.544 -10.037 1.00 0.00 C ATOM 619 O ILE A 41 0.799 1.654 -9.797 1.00 0.00 O ATOM 620 CB ILE A 41 0.324 -1.352 -8.689 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.709 -2.478 -8.667 1.00 0.00 C ATOM 622 CG2 ILE A 41 0.013 -0.328 -7.606 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.826 -3.170 -7.325 1.00 0.00 C ATOM 0 H ILE A 41 1.069 -2.535 -10.760 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.650 -0.370 -10.345 1.00 0.00 H new ATOM 0 HB ILE A 41 1.308 -1.775 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.682 -2.072 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.445 -3.216 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.008 -0.821 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.782 0.445 -7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.958 0.127 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.578 -3.957 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.136 -3.607 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.120 -2.445 -6.566 1.00 0.00 H new ATOM 635 N ALA A 42 2.550 0.339 -10.304 1.00 0.00 N ATOM 636 CA ALA A 42 3.535 1.414 -10.247 1.00 0.00 C ATOM 637 C ALA A 42 3.158 2.565 -11.176 1.00 0.00 C ATOM 638 O ALA A 42 3.346 3.738 -10.841 1.00 0.00 O ATOM 639 CB ALA A 42 4.916 0.881 -10.596 1.00 0.00 C ATOM 0 H ALA A 42 2.936 -0.569 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 42 3.551 1.801 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.642 1.693 -10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.196 0.103 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.901 0.464 -11.603 1.00 0.00 H new ATOM 645 N GLU A 43 2.609 2.221 -12.336 1.00 0.00 N ATOM 646 CA GLU A 43 2.165 3.214 -13.304 1.00 0.00 C ATOM 647 C GLU A 43 0.998 4.021 -12.737 1.00 0.00 C ATOM 648 O GLU A 43 0.888 5.226 -12.953 1.00 0.00 O ATOM 649 CB GLU A 43 1.751 2.528 -14.610 1.00 0.00 C ATOM 650 CG GLU A 43 1.483 3.490 -15.755 1.00 0.00 C ATOM 651 CD GLU A 43 2.690 4.344 -16.086 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.691 3.798 -16.595 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.644 5.566 -15.843 1.00 0.00 O ATOM 0 H GLU A 43 2.461 1.255 -12.629 1.00 0.00 H new ATOM 0 HA GLU A 43 2.990 3.895 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.536 1.834 -14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.854 1.936 -14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.188 2.925 -16.639 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.645 4.136 -15.495 1.00 0.00 H new ATOM 660 N ILE A 44 0.134 3.356 -11.991 1.00 0.00 N ATOM 661 CA ILE A 44 -1.011 4.024 -11.399 1.00 0.00 C ATOM 662 C ILE A 44 -0.582 4.793 -10.149 1.00 0.00 C ATOM 663 O ILE A 44 -1.182 5.810 -9.795 1.00 0.00 O ATOM 664 CB ILE A 44 -2.137 3.028 -11.040 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.357 2.023 -12.178 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.428 3.781 -10.750 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.787 2.657 -13.488 1.00 0.00 C ATOM 0 H ILE A 44 0.202 2.360 -11.782 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.405 4.719 -12.141 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.838 2.477 -10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.434 1.467 -12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.114 1.301 -11.870 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.215 3.070 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.272 4.461 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.722 4.351 -11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.922 1.881 -14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.727 3.189 -13.343 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.021 3.357 -13.822 1.00 0.00 H new ATOM 679 N ILE A 45 0.479 4.316 -9.499 1.00 0.00 N ATOM 680 CA ILE A 45 1.024 4.980 -8.318 1.00 0.00 C ATOM 681 C ILE A 45 1.477 6.392 -8.662 1.00 0.00 C ATOM 682 O ILE A 45 1.151 7.347 -7.953 1.00 0.00 O ATOM 683 CB ILE A 45 2.221 4.203 -7.711 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.769 2.852 -7.155 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.896 5.024 -6.620 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.889 2.044 -6.536 1.00 0.00 C ATOM 0 H ILE A 45 0.979 3.470 -9.772 1.00 0.00 H new ATOM 0 HA ILE A 45 0.224 5.012 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 45 2.943 4.022 -8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.995 3.018 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.315 2.272 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.733 4.462 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.261 5.960 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.177 5.239 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.493 1.099 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.653 1.846 -7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.328 2.604 -5.710 1.00 0.00 H new ATOM 698 N ARG A 46 2.217 6.514 -9.759 1.00 0.00 N ATOM 699 CA ARG A 46 2.732 7.803 -10.202 1.00 0.00 C ATOM 700 C ARG A 46 1.602 8.710 -10.681 1.00 0.00 C ATOM 701 O ARG A 46 1.610 9.915 -10.422 1.00 0.00 O ATOM 702 CB ARG A 46 3.780 7.607 -11.298 1.00 0.00 C ATOM 703 CG ARG A 46 3.315 6.753 -12.460 1.00 0.00 C ATOM 704 CD ARG A 46 4.477 6.164 -13.242 1.00 0.00 C ATOM 705 NE ARG A 46 5.401 7.182 -13.736 1.00 0.00 N ATOM 706 CZ ARG A 46 5.804 7.264 -15.002 1.00 0.00 C ATOM 707 NH1 ARG A 46 5.275 6.473 -15.929 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.719 8.158 -15.348 1.00 0.00 N ATOM 0 H ARG A 46 2.474 5.731 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 46 3.209 8.292 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.079 8.584 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.667 7.150 -10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.685 5.946 -12.086 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.699 7.355 -13.127 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.020 5.465 -12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.089 5.592 -14.085 1.00 0.00 H new ATOM 0 HE ARG A 46 5.758 7.870 -13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.555 5.797 -15.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.589 6.541 -16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.114 8.782 -14.645 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.029 8.222 -16.318 1.00 0.00 H new ATOM 722 N LYS A 47 0.624 8.130 -11.361 1.00 0.00 N ATOM 723 CA LYS A 47 -0.556 8.882 -11.779 1.00 0.00 C ATOM 724 C LYS A 47 -1.294 9.424 -10.558 1.00 0.00 C ATOM 725 O LYS A 47 -1.618 10.611 -10.484 1.00 0.00 O ATOM 726 CB LYS A 47 -1.490 8.009 -12.619 1.00 0.00 C ATOM 727 CG LYS A 47 -0.875 7.549 -13.927 1.00 0.00 C ATOM 728 CD LYS A 47 -1.885 6.820 -14.796 1.00 0.00 C ATOM 729 CE LYS A 47 -1.279 6.445 -16.136 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.309 5.995 -17.109 1.00 0.00 N ATOM 0 H LYS A 47 0.621 7.147 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.228 9.719 -12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.780 7.135 -12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.402 8.567 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.484 8.410 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.030 6.892 -13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.229 5.921 -14.284 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.759 7.452 -14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.745 7.303 -16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.545 5.652 -15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.851 5.749 -18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.802 5.161 -16.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.995 6.760 -17.267 1.00 0.00 H new ATOM 744 N SER A 48 -1.524 8.555 -9.582 1.00 0.00 N ATOM 745 CA SER A 48 -2.203 8.945 -8.360 1.00 0.00 C ATOM 746 C SER A 48 -1.340 9.906 -7.546 1.00 0.00 C ATOM 747 O SER A 48 -1.843 10.659 -6.722 1.00 0.00 O ATOM 748 CB SER A 48 -2.530 7.711 -7.526 1.00 0.00 C ATOM 749 OG SER A 48 -3.240 6.753 -8.290 1.00 0.00 O ATOM 0 H SER A 48 -1.248 7.574 -9.616 1.00 0.00 H new ATOM 0 HA SER A 48 -3.129 9.452 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.608 7.269 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.123 8.001 -6.659 1.00 0.00 H new ATOM 0 HG SER A 48 -2.624 6.306 -8.908 1.00 0.00 H new ATOM 755 N ASN A 49 -0.035 9.861 -7.775 1.00 0.00 N ATOM 756 CA ASN A 49 0.897 10.759 -7.101 1.00 0.00 C ATOM 757 C ASN A 49 0.671 12.191 -7.562 1.00 0.00 C ATOM 758 O ASN A 49 0.835 13.140 -6.799 1.00 0.00 O ATOM 759 CB ASN A 49 2.342 10.332 -7.385 1.00 0.00 C ATOM 760 CG ASN A 49 3.370 11.337 -6.896 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.735 11.345 -5.723 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.867 12.172 -7.797 1.00 0.00 N ATOM 0 H ASN A 49 0.405 9.210 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 49 0.722 10.705 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.530 9.369 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.467 10.187 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.578 12.851 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.539 12.135 -8.762 1.00 0.00 H new ATOM 769 N ALA A 50 0.297 12.332 -8.821 1.00 0.00 N ATOM 770 CA ALA A 50 -0.031 13.635 -9.376 1.00 0.00 C ATOM 771 C ALA A 50 -1.387 14.108 -8.864 1.00 0.00 C ATOM 772 O ALA A 50 -1.607 15.301 -8.655 1.00 0.00 O ATOM 773 CB ALA A 50 -0.030 13.571 -10.896 1.00 0.00 C ATOM 0 H ALA A 50 0.212 11.559 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 50 0.725 14.351 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.277 14.552 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.957 13.271 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.770 12.844 -11.230 1.00 0.00 H new ATOM 779 N GLU A 51 -2.283 13.154 -8.653 1.00 0.00 N ATOM 780 CA GLU A 51 -3.640 13.448 -8.210 1.00 0.00 C ATOM 781 C GLU A 51 -3.700 13.830 -6.732 1.00 0.00 C ATOM 782 O GLU A 51 -4.431 14.743 -6.350 1.00 0.00 O ATOM 783 CB GLU A 51 -4.545 12.238 -8.450 1.00 0.00 C ATOM 784 CG GLU A 51 -4.658 11.837 -9.911 1.00 0.00 C ATOM 785 CD GLU A 51 -5.220 12.945 -10.773 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.453 13.136 -10.775 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.435 13.635 -11.450 1.00 0.00 O ATOM 0 H GLU A 51 -2.092 12.160 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.985 14.302 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.163 11.392 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.541 12.459 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.674 11.554 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.295 10.957 -9.995 1.00 0.00 H new ATOM 794 N LEU A 52 -2.939 13.134 -5.899 1.00 0.00 N ATOM 795 CA LEU A 52 -3.089 13.271 -4.456 1.00 0.00 C ATOM 796 C LEU A 52 -1.757 13.240 -3.726 1.00 0.00 C ATOM 797 O LEU A 52 -0.694 13.155 -4.340 1.00 0.00 O ATOM 798 CB LEU A 52 -3.988 12.144 -3.927 1.00 0.00 C ATOM 799 CG LEU A 52 -3.556 10.715 -4.294 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.295 10.287 -3.557 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.670 9.747 -3.998 1.00 0.00 C ATOM 0 H LEU A 52 -2.218 12.475 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.541 14.244 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.034 12.222 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.999 12.305 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.333 10.709 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.030 9.271 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.478 10.963 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.473 10.321 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.354 8.737 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.913 9.786 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.550 10.016 -4.582 1.00 0.00 H new ATOM 813 N GLY A 53 -1.843 13.292 -2.406 1.00 0.00 N ATOM 814 CA GLY A 53 -0.687 13.073 -1.569 1.00 0.00 C ATOM 815 C GLY A 53 -1.008 12.156 -0.403 1.00 0.00 C ATOM 816 O GLY A 53 -0.520 11.028 -0.336 1.00 0.00 O ATOM 0 H GLY A 53 -2.705 13.485 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.117 12.639 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.324 14.029 -1.192 1.00 0.00 H new ATOM 820 N ARG A 54 -1.872 12.626 0.490 1.00 0.00 N ATOM 821 CA ARG A 54 -2.169 11.906 1.727 1.00 0.00 C ATOM 822 C ARG A 54 -3.438 11.054 1.585 1.00 0.00 C ATOM 823 O ARG A 54 -3.894 10.432 2.547 1.00 0.00 O ATOM 824 CB ARG A 54 -2.312 12.919 2.873 1.00 0.00 C ATOM 825 CG ARG A 54 -2.000 12.366 4.259 1.00 0.00 C ATOM 826 CD ARG A 54 -3.256 11.967 5.017 1.00 0.00 C ATOM 827 NE ARG A 54 -4.178 13.091 5.192 1.00 0.00 N ATOM 828 CZ ARG A 54 -4.795 13.380 6.340 1.00 0.00 C ATOM 829 NH1 ARG A 54 -4.545 12.666 7.433 1.00 0.00 N ATOM 830 NH2 ARG A 54 -5.645 14.395 6.394 1.00 0.00 N ATOM 0 H ARG A 54 -2.381 13.504 0.382 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.349 11.223 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.651 13.763 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.331 13.305 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.345 11.500 4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.455 13.116 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.762 11.164 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.978 11.572 5.994 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.360 13.690 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.879 11.894 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.019 12.890 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.826 14.953 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.118 14.618 7.270 1.00 0.00 H new ATOM 844 N LEU A 55 -4.005 11.024 0.387 1.00 0.00 N ATOM 845 CA LEU A 55 -5.211 10.235 0.137 1.00 0.00 C ATOM 846 C LEU A 55 -4.853 8.921 -0.543 1.00 0.00 C ATOM 847 O LEU A 55 -3.749 8.764 -1.063 1.00 0.00 O ATOM 848 CB LEU A 55 -6.226 10.993 -0.736 1.00 0.00 C ATOM 849 CG LEU A 55 -6.818 12.278 -0.139 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.297 12.045 1.286 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.813 13.422 -0.196 1.00 0.00 C ATOM 0 H LEU A 55 -3.655 11.532 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.671 10.041 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.742 11.246 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.047 10.316 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.681 12.561 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.712 12.970 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.065 11.271 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.458 11.726 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.259 14.319 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.922 13.152 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.538 13.614 -1.233 1.00 0.00 H new ATOM 863 N GLY A 56 -5.789 7.982 -0.533 1.00 0.00 N ATOM 864 CA GLY A 56 -5.557 6.698 -1.155 1.00 0.00 C ATOM 865 C GLY A 56 -6.436 6.463 -2.363 1.00 0.00 C ATOM 866 O GLY A 56 -7.566 5.980 -2.238 1.00 0.00 O ATOM 0 H GLY A 56 -6.708 8.089 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.511 6.628 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.733 5.909 -0.424 1.00 0.00 H new ATOM 870 N TYR A 57 -5.916 6.800 -3.531 1.00 0.00 N ATOM 871 CA TYR A 57 -6.621 6.575 -4.785 1.00 0.00 C ATOM 872 C TYR A 57 -6.600 5.092 -5.110 1.00 0.00 C ATOM 873 O TYR A 57 -5.578 4.427 -4.925 1.00 0.00 O ATOM 874 CB TYR A 57 -5.952 7.371 -5.911 1.00 0.00 C ATOM 875 CG TYR A 57 -6.687 7.350 -7.234 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.708 8.255 -7.496 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.345 6.442 -8.227 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.370 8.251 -8.710 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.002 6.431 -9.442 1.00 0.00 C ATOM 880 CZ TYR A 57 -8.013 7.338 -9.680 1.00 0.00 C ATOM 881 OH TYR A 57 -8.669 7.332 -10.892 1.00 0.00 O ATOM 0 H TYR A 57 -4.999 7.235 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.654 6.910 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.844 8.407 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.947 6.979 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.989 8.973 -6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.552 5.732 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.163 8.960 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.725 5.715 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.295 6.628 -11.463 1.00 0.00 H new ATOM 891 N SER A 58 -7.725 4.569 -5.569 1.00 0.00 N ATOM 892 CA SER A 58 -7.811 3.168 -5.921 1.00 0.00 C ATOM 893 C SER A 58 -6.994 2.887 -7.178 1.00 0.00 C ATOM 894 O SER A 58 -7.367 3.284 -8.282 1.00 0.00 O ATOM 895 CB SER A 58 -9.274 2.788 -6.127 1.00 0.00 C ATOM 896 OG SER A 58 -9.958 3.811 -6.828 1.00 0.00 O ATOM 0 H SER A 58 -8.588 5.095 -5.705 1.00 0.00 H new ATOM 0 HA SER A 58 -7.400 2.564 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.338 1.853 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.751 2.619 -5.162 1.00 0.00 H new ATOM 0 HG SER A 58 -9.425 4.091 -7.601 1.00 0.00 H new ATOM 902 N VAL A 59 -5.877 2.202 -6.997 1.00 0.00 N ATOM 903 CA VAL A 59 -4.983 1.900 -8.099 1.00 0.00 C ATOM 904 C VAL A 59 -5.245 0.505 -8.641 1.00 0.00 C ATOM 905 O VAL A 59 -5.069 0.243 -9.831 1.00 0.00 O ATOM 906 CB VAL A 59 -3.505 2.028 -7.676 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.200 3.455 -7.263 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.171 1.068 -6.543 1.00 0.00 C ATOM 0 H VAL A 59 -5.568 1.844 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.180 2.628 -8.886 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.885 1.766 -8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.154 3.532 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.390 4.125 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.837 3.735 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.123 1.182 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.799 1.290 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.351 0.044 -6.869 1.00 0.00 H new ATOM 918 N TYR A 60 -5.685 -0.378 -7.762 1.00 0.00 N ATOM 919 CA TYR A 60 -5.949 -1.755 -8.130 1.00 0.00 C ATOM 920 C TYR A 60 -7.270 -2.201 -7.527 1.00 0.00 C ATOM 921 O TYR A 60 -7.446 -2.131 -6.315 1.00 0.00 O ATOM 922 CB TYR A 60 -4.804 -2.641 -7.623 1.00 0.00 C ATOM 923 CG TYR A 60 -4.987 -4.123 -7.875 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.656 -4.926 -6.958 1.00 0.00 C ATOM 925 CD2 TYR A 60 -4.479 -4.719 -9.020 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.812 -6.278 -7.176 1.00 0.00 C ATOM 927 CE2 TYR A 60 -4.635 -6.073 -9.246 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.301 -6.847 -8.322 1.00 0.00 C ATOM 929 OH TYR A 60 -5.450 -8.194 -8.540 1.00 0.00 O ATOM 0 H TYR A 60 -5.868 -0.162 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.014 -1.842 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.877 -2.318 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.687 -2.481 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.060 -4.483 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.954 -4.116 -9.746 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.332 -6.888 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.236 -6.523 -10.143 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.251 -8.398 -9.478 1.00 0.00 H new ATOM 939 N GLU A 61 -8.198 -2.640 -8.354 1.00 0.00 N ATOM 940 CA GLU A 61 -9.455 -3.153 -7.838 1.00 0.00 C ATOM 941 C GLU A 61 -9.598 -4.633 -8.145 1.00 0.00 C ATOM 942 O GLU A 61 -9.320 -5.093 -9.254 1.00 0.00 O ATOM 943 CB GLU A 61 -10.660 -2.366 -8.366 1.00 0.00 C ATOM 944 CG GLU A 61 -11.993 -2.985 -7.963 1.00 0.00 C ATOM 945 CD GLU A 61 -13.143 -1.999 -7.963 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.352 -1.318 -8.984 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.851 -1.915 -6.936 1.00 0.00 O ATOM 0 H GLU A 61 -8.110 -2.653 -9.370 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.437 -3.023 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.612 -1.343 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.604 -2.311 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.226 -3.802 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.897 -3.419 -6.968 1.00 0.00 H new ATOM 954 N ASP A 62 -10.014 -5.364 -7.133 1.00 0.00 N ATOM 955 CA ASP A 62 -10.220 -6.791 -7.213 1.00 0.00 C ATOM 956 C ASP A 62 -11.627 -7.105 -6.705 1.00 0.00 C ATOM 957 O ASP A 62 -12.285 -6.233 -6.137 1.00 0.00 O ATOM 958 CB ASP A 62 -9.141 -7.499 -6.378 1.00 0.00 C ATOM 959 CG ASP A 62 -9.405 -8.973 -6.175 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.065 -9.776 -7.069 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.971 -9.326 -5.127 1.00 0.00 O ATOM 0 H ASP A 62 -10.222 -4.973 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.136 -7.146 -8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.175 -7.375 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.070 -7.014 -5.405 1.00 0.00 H new ATOM 966 N ALA A 63 -12.088 -8.330 -6.912 1.00 0.00 N ATOM 967 CA ALA A 63 -13.431 -8.723 -6.519 1.00 0.00 C ATOM 968 C ALA A 63 -13.597 -8.707 -5.004 1.00 0.00 C ATOM 969 O ALA A 63 -14.714 -8.588 -4.500 1.00 0.00 O ATOM 970 CB ALA A 63 -13.759 -10.100 -7.076 1.00 0.00 C ATOM 0 H ALA A 63 -11.546 -9.073 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.129 -7.996 -6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.768 -10.383 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.698 -10.076 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.047 -10.828 -6.689 1.00 0.00 H new ATOM 976 N GLN A 64 -12.493 -8.836 -4.279 1.00 0.00 N ATOM 977 CA GLN A 64 -12.541 -8.799 -2.826 1.00 0.00 C ATOM 978 C GLN A 64 -11.869 -7.546 -2.277 1.00 0.00 C ATOM 979 O GLN A 64 -12.322 -6.982 -1.281 1.00 0.00 O ATOM 980 CB GLN A 64 -11.874 -10.036 -2.215 1.00 0.00 C ATOM 981 CG GLN A 64 -12.444 -11.362 -2.705 1.00 0.00 C ATOM 982 CD GLN A 64 -11.701 -11.942 -3.899 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.381 -11.804 -3.917 1.00 0.00 O flip ATOM 984 NE2 GLN A 64 -12.306 -12.560 -4.772 1.00 0.00 N flip ATOM 0 H GLN A 64 -11.561 -8.966 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.595 -8.787 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.808 -10.007 -2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.973 -9.990 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.419 -12.083 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.491 -11.221 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.321 -12.646 -4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.793 -12.987 -5.543 1.00 0.00 H new ATOM 993 N TYR A 65 -10.796 -7.098 -2.919 1.00 0.00 N ATOM 994 CA TYR A 65 -9.962 -6.050 -2.335 1.00 0.00 C ATOM 995 C TYR A 65 -9.695 -4.910 -3.306 1.00 0.00 C ATOM 996 O TYR A 65 -9.871 -5.046 -4.508 1.00 0.00 O ATOM 997 CB TYR A 65 -8.638 -6.654 -1.860 1.00 0.00 C ATOM 998 CG TYR A 65 -8.820 -7.951 -1.107 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.327 -7.959 0.185 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.514 -9.168 -1.701 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.519 -9.144 0.867 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.708 -10.356 -1.026 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.209 -10.339 0.258 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.403 -11.521 0.933 1.00 0.00 O ATOM 0 H TYR A 65 -10.485 -7.436 -3.830 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.507 -5.629 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.994 -6.827 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.126 -5.936 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.575 -7.024 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.118 -9.185 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.911 -9.133 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.468 -11.295 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.136 -12.271 0.362 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.279 -3.775 -2.756 1.00 0.00 N ATOM 1015 CA ILE A 66 -8.920 -2.609 -3.544 1.00 0.00 C ATOM 1016 C ILE A 66 -7.656 -1.975 -2.984 1.00 0.00 C ATOM 1017 O ILE A 66 -7.573 -1.683 -1.790 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.044 -1.551 -3.551 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.320 -2.122 -4.166 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.607 -0.305 -4.310 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.487 -1.157 -4.143 1.00 0.00 C ATOM 0 H ILE A 66 -9.182 -3.640 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.757 -2.947 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.251 -1.273 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.119 -2.411 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.598 -3.029 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.414 0.427 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.725 0.122 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.368 -0.571 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.359 -1.629 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.715 -0.886 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.228 -0.260 -4.705 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.680 -1.771 -3.847 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.440 -1.148 -3.440 1.00 0.00 C ATOM 1035 C GLY A 67 -5.481 0.354 -3.617 1.00 0.00 C ATOM 1036 O GLY A 67 -6.047 0.858 -4.587 1.00 0.00 O ATOM 0 H GLY A 67 -6.723 -2.028 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.240 -1.385 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.617 -1.560 -4.024 1.00 0.00 H new ATOM 1040 N HIS A 68 -4.887 1.066 -2.678 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.884 2.522 -2.686 1.00 0.00 C ATOM 1042 C HIS A 68 -3.452 3.026 -2.560 1.00 0.00 C ATOM 1043 O HIS A 68 -2.753 2.660 -1.618 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.715 3.073 -1.516 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.093 2.489 -1.392 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.226 3.105 -1.882 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.515 1.340 -0.810 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.284 2.358 -1.610 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.877 1.282 -0.961 1.00 0.00 N ATOM 0 H HIS A 68 -4.392 0.654 -1.887 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.323 2.865 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.174 2.892 -0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.802 4.154 -1.628 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.245 3.997 -2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.894 0.606 -0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.306 2.589 -1.874 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.009 3.849 -3.503 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.642 4.362 -3.460 1.00 0.00 C ATOM 1060 C ALA A 69 -1.538 5.582 -2.563 1.00 0.00 C ATOM 1061 O ALA A 69 -2.191 6.600 -2.801 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.151 4.721 -4.851 1.00 0.00 C ATOM 0 H ALA A 69 -3.564 4.172 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.016 3.569 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.131 5.100 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.171 3.834 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.798 5.487 -5.279 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.669 5.495 -1.570 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.422 6.600 -0.663 1.00 0.00 C ATOM 1070 C PHE A 70 0.991 7.118 -0.828 1.00 0.00 C ATOM 1071 O PHE A 70 1.927 6.341 -1.031 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.632 6.170 0.789 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.066 5.956 1.151 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.680 4.741 0.911 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.800 6.970 1.737 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.001 4.541 1.249 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.119 6.778 2.078 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.721 5.562 1.835 1.00 0.00 C ATOM 0 H PHE A 70 -0.118 4.660 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.130 7.392 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.080 5.248 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.209 6.928 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.118 3.940 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.333 7.924 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.471 3.588 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.682 7.578 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.756 5.408 2.103 1.00 0.00 H new ATOM 1088 N LYS A 71 1.137 8.429 -0.777 1.00 0.00 N ATOM 1089 CA LYS A 71 2.452 9.039 -0.792 1.00 0.00 C ATOM 1090 C LYS A 71 3.041 9.031 0.611 1.00 0.00 C ATOM 1091 O LYS A 71 2.435 9.534 1.556 1.00 0.00 O ATOM 1092 CB LYS A 71 2.393 10.468 -1.336 1.00 0.00 C ATOM 1093 CG LYS A 71 2.504 10.576 -2.853 1.00 0.00 C ATOM 1094 CD LYS A 71 1.239 10.121 -3.570 1.00 0.00 C ATOM 1095 CE LYS A 71 1.277 8.639 -3.913 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.002 8.175 -4.523 1.00 0.00 N ATOM 0 H LYS A 71 0.362 9.090 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 71 3.093 8.456 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.455 10.924 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.197 11.048 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.719 11.610 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.347 9.975 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.373 10.325 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.112 10.701 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.099 8.447 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.477 8.063 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.205 7.460 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.603 7.758 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.488 8.982 -4.958 1.00 0.00 H new ATOM 1110 N LYS A 72 4.214 8.440 0.740 1.00 0.00 N ATOM 1111 CA LYS A 72 4.875 8.319 2.031 1.00 0.00 C ATOM 1112 C LYS A 72 6.163 9.132 2.015 1.00 0.00 C ATOM 1113 O LYS A 72 6.487 9.754 1.004 1.00 0.00 O ATOM 1114 CB LYS A 72 5.177 6.845 2.333 1.00 0.00 C ATOM 1115 CG LYS A 72 3.956 5.934 2.244 1.00 0.00 C ATOM 1116 CD LYS A 72 2.942 6.216 3.345 1.00 0.00 C ATOM 1117 CE LYS A 72 3.493 5.858 4.717 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.500 6.092 5.800 1.00 0.00 N ATOM 0 H LYS A 72 4.734 8.033 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 72 4.219 8.702 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.935 6.489 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.603 6.769 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.479 6.063 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.276 4.894 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.667 7.271 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.032 5.646 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.795 4.811 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.388 6.449 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.919 5.835 6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.230 7.096 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.656 5.509 5.629 1.00 0.00 H new ATOM 1132 N ALA A 73 6.898 9.119 3.119 1.00 0.00 N ATOM 1133 CA ALA A 73 8.132 9.887 3.217 1.00 0.00 C ATOM 1134 C ALA A 73 9.199 9.324 2.283 1.00 0.00 C ATOM 1135 O ALA A 73 9.894 8.363 2.624 1.00 0.00 O ATOM 1136 CB ALA A 73 8.631 9.910 4.653 1.00 0.00 C ATOM 0 H ALA A 73 6.662 8.587 3.957 1.00 0.00 H new ATOM 0 HA ALA A 73 7.922 10.911 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.554 10.488 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.877 10.368 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.821 8.890 4.989 1.00 0.00 H new ATOM 1142 N GLY A 74 9.300 9.909 1.094 1.00 0.00 N ATOM 1143 CA GLY A 74 10.267 9.457 0.106 1.00 0.00 C ATOM 1144 C GLY A 74 9.941 8.082 -0.445 1.00 0.00 C ATOM 1145 O GLY A 74 10.788 7.435 -1.058 1.00 0.00 O ATOM 0 H GLY A 74 8.724 10.696 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.304 10.173 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.259 9.437 0.557 1.00 0.00 H new ATOM 1149 N HIS A 75 8.711 7.630 -0.224 1.00 0.00 N ATOM 1150 CA HIS A 75 8.305 6.291 -0.628 1.00 0.00 C ATOM 1151 C HIS A 75 6.845 6.264 -1.049 1.00 0.00 C ATOM 1152 O HIS A 75 6.125 7.253 -0.903 1.00 0.00 O ATOM 1153 CB HIS A 75 8.527 5.297 0.515 1.00 0.00 C ATOM 1154 CG HIS A 75 9.967 4.970 0.761 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.581 5.133 1.983 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.913 4.476 -0.068 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.841 4.753 1.894 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.067 4.346 0.661 1.00 0.00 N ATOM 0 H HIS A 75 7.978 8.173 0.233 1.00 0.00 H new ATOM 0 HA HIS A 75 8.919 6.003 -1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.096 5.706 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.988 4.376 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.784 4.229 -1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.565 4.772 2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.956 3.992 0.307 1.00 0.00 H new ATOM 1167 N PHE A 76 6.419 5.128 -1.573 1.00 0.00 N ATOM 1168 CA PHE A 76 5.046 4.941 -2.012 1.00 0.00 C ATOM 1169 C PHE A 76 4.518 3.627 -1.465 1.00 0.00 C ATOM 1170 O PHE A 76 5.166 2.604 -1.606 1.00 0.00 O ATOM 1171 CB PHE A 76 4.979 4.919 -3.540 1.00 0.00 C ATOM 1172 CG PHE A 76 5.437 6.190 -4.193 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.638 7.320 -4.179 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.669 6.253 -4.829 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.055 8.489 -4.787 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.092 7.418 -5.436 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.283 8.538 -5.415 1.00 0.00 C ATOM 0 H PHE A 76 7.014 4.310 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 76 4.438 5.767 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.589 4.094 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.952 4.716 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.677 7.288 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.304 5.380 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.421 9.363 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.054 7.454 -5.926 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.611 9.451 -5.890 1.00 0.00 H new ATOM 1187 N ILE A 77 3.363 3.642 -0.827 1.00 0.00 N ATOM 1188 CA ILE A 77 2.796 2.406 -0.308 1.00 0.00 C ATOM 1189 C ILE A 77 1.350 2.249 -0.750 1.00 0.00 C ATOM 1190 O ILE A 77 0.559 3.191 -0.687 1.00 0.00 O ATOM 1191 CB ILE A 77 2.890 2.332 1.232 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.348 2.452 1.683 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.285 1.029 1.742 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.538 2.360 3.184 1.00 0.00 C ATOM 0 H ILE A 77 2.805 4.479 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 77 3.385 1.586 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 77 2.325 3.164 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.932 1.666 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.749 3.404 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.360 0.994 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.237 0.975 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.825 0.185 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.597 2.454 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.984 3.162 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.170 1.397 3.539 1.00 0.00 H new ATOM 1206 N VAL A 78 1.023 1.059 -1.221 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.322 0.748 -1.668 1.00 0.00 C ATOM 1208 C VAL A 78 -1.031 -0.121 -0.638 1.00 0.00 C ATOM 1209 O VAL A 78 -0.702 -1.295 -0.470 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.310 0.024 -3.029 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.728 -0.270 -3.497 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.438 0.843 -4.065 1.00 0.00 C ATOM 0 H VAL A 78 1.680 0.283 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.857 1.690 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 78 0.210 -0.926 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.695 -0.781 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.228 -0.905 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.278 0.665 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.435 0.314 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.049 1.811 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.467 0.993 -3.737 1.00 0.00 H new ATOM 1222 N TYR A 79 -1.987 0.464 0.061 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.737 -0.254 1.073 1.00 0.00 C ATOM 1224 C TYR A 79 -3.981 -0.886 0.464 1.00 0.00 C ATOM 1225 O TYR A 79 -4.817 -0.200 -0.126 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.114 0.691 2.214 1.00 0.00 C ATOM 1227 CG TYR A 79 -1.925 1.184 3.013 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.209 2.302 2.608 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.517 0.529 4.166 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.123 2.754 3.329 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.430 0.974 4.894 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.264 2.087 4.470 1.00 0.00 C ATOM 1233 OH TYR A 79 1.349 2.538 5.190 1.00 0.00 O ATOM 0 H TYR A 79 -2.262 1.439 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.113 -1.052 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.646 1.549 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.805 0.180 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.507 2.827 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.058 -0.344 4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.421 3.627 3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.126 0.453 5.790 1.00 0.00 H new ATOM 0 HH TYR A 79 1.490 1.958 5.967 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.082 -2.201 0.595 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.197 -2.950 0.052 1.00 0.00 C ATOM 1245 C PHE A 80 -6.268 -3.159 1.107 1.00 0.00 C ATOM 1246 O PHE A 80 -6.024 -3.789 2.136 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.724 -4.310 -0.465 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.871 -4.234 -1.698 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.525 -3.927 -1.610 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.420 -4.475 -2.947 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.740 -3.860 -2.745 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.642 -4.409 -4.085 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.300 -4.101 -3.985 1.00 0.00 C ATOM 0 H PHE A 80 -3.392 -2.774 1.081 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.618 -2.375 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.161 -4.810 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.596 -4.929 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.083 -3.738 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.469 -4.717 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.690 -3.620 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.083 -4.598 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.689 -4.049 -4.874 1.00 0.00 H new ATOM 1263 N THR A 81 -7.445 -2.629 0.853 1.00 0.00 N ATOM 1264 CA THR A 81 -8.572 -2.811 1.748 1.00 0.00 C ATOM 1265 C THR A 81 -9.552 -3.799 1.128 1.00 0.00 C ATOM 1266 O THR A 81 -9.485 -4.052 -0.071 1.00 0.00 O ATOM 1267 CB THR A 81 -9.281 -1.467 2.031 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.712 -0.853 0.802 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.352 -0.520 2.775 1.00 0.00 C ATOM 0 H THR A 81 -7.649 -2.064 0.028 1.00 0.00 H new ATOM 0 HA THR A 81 -8.205 -3.202 2.697 1.00 0.00 H new ATOM 0 HB THR A 81 -10.154 -1.670 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.154 -0.070 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.868 0.421 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.056 -0.970 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.465 -0.331 2.171 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.463 -4.387 1.920 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.491 -5.299 1.397 1.00 0.00 C ATOM 1279 C PRO A 82 -12.568 -4.540 0.622 1.00 0.00 C ATOM 1280 O PRO A 82 -13.753 -4.594 0.961 1.00 0.00 O ATOM 1281 CB PRO A 82 -12.073 -5.931 2.663 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.855 -4.914 3.727 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.565 -4.222 3.383 1.00 0.00 C ATOM 0 HA PRO A 82 -11.090 -6.030 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.132 -6.157 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.573 -6.869 2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.681 -4.204 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.796 -5.384 4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.586 -3.170 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.717 -4.675 3.898 1.00 0.00 H new