USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 58 ASN : amide:sc= -5.7! C(o=-5!,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot -55:sc= 0.692 USER MOD Set 2.1: A 49 ASN : amide:sc= -1.92 K(o=-3.2,f=-11!) USER MOD Set 2.2: A 50 SER OG : rot 74:sc= -1.24 USER MOD Set 3.1: A 18 SER OG : rot 170:sc= -1.83! USER MOD Set 3.2: A 32 HIS : no HE2:sc= -14.2! C(o=-16!,f=-10!) USER MOD Set 4.1: A 8 TYR OH : rot 155:sc= -1.57! USER MOD Set 4.2: A 40 TYR OH : rot -39:sc= 0.932 USER MOD Set 5.1: A 6 TYR OH : rot 150:sc= -2.65! USER MOD Set 5.2: A 14 GLN : amide:sc= -3.86! K(o=-6.5!,f=0.13) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.13 K(o=-3.1,f=-3.7!) USER MOD Single : A 17 SER OG : rot -130:sc= -0.234 USER MOD Single : A 20 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1.8!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -105:sc= -2.02! USER MOD Single : A 34 THR OG1 : rot -74:sc= 0.897 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0571 (180deg=-0.551) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 80:sc= -0.623! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.32! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -8.17! C(o=-8.2!,f=-7.4!) USER MOD Single : A 53 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 54 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.19) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -0.0671 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 10.445 1.656 -7.022 1.00 0.00 N ATOM 80 CA TYR A 6 8.975 1.448 -7.095 1.00 0.00 C ATOM 81 C TYR A 6 8.346 2.498 -8.002 1.00 0.00 C ATOM 82 O TYR A 6 8.703 3.660 -7.976 1.00 0.00 O ATOM 83 CB TYR A 6 8.388 1.542 -5.690 1.00 0.00 C ATOM 84 CG TYR A 6 8.789 0.318 -4.891 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.665 -0.636 -5.436 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.282 0.141 -3.602 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.030 -1.760 -4.687 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.646 -0.985 -2.852 1.00 0.00 C ATOM 89 CZ TYR A 6 9.520 -1.935 -3.395 1.00 0.00 C ATOM 90 OH TYR A 6 9.881 -3.043 -2.657 1.00 0.00 O ATOM 0 HA TYR A 6 8.763 0.462 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.745 2.445 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.302 1.615 -5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.057 -0.502 -6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.608 0.873 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.705 -2.492 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.253 -1.120 -1.855 1.00 0.00 H new ATOM 0 HH TYR A 6 9.870 -2.819 -1.703 1.00 0.00 H new ATOM 100 N SER A 7 7.417 2.088 -8.812 1.00 0.00 N ATOM 101 CA SER A 7 6.755 3.038 -9.738 1.00 0.00 C ATOM 102 C SER A 7 5.331 3.305 -9.252 1.00 0.00 C ATOM 103 O SER A 7 4.987 3.017 -8.123 1.00 0.00 O ATOM 104 CB SER A 7 6.718 2.420 -11.132 1.00 0.00 C ATOM 105 OG SER A 7 7.560 3.169 -12.000 1.00 0.00 O ATOM 0 H SER A 7 7.085 1.125 -8.872 1.00 0.00 H new ATOM 0 HA SER A 7 7.305 3.978 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.049 1.382 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.697 2.414 -11.513 1.00 0.00 H new ATOM 0 HG SER A 7 7.540 2.774 -12.897 1.00 0.00 H new ATOM 111 N TYR A 8 4.500 3.856 -10.090 1.00 0.00 N ATOM 112 CA TYR A 8 3.105 4.141 -9.667 1.00 0.00 C ATOM 113 C TYR A 8 2.181 3.049 -10.208 1.00 0.00 C ATOM 114 O TYR A 8 1.215 3.308 -10.896 1.00 0.00 O ATOM 115 CB TYR A 8 2.690 5.510 -10.194 1.00 0.00 C ATOM 116 CG TYR A 8 3.338 6.577 -9.343 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.721 6.550 -9.114 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.557 7.589 -8.777 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.318 7.534 -8.321 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.156 8.572 -7.984 1.00 0.00 C ATOM 121 CZ TYR A 8 4.536 8.547 -7.755 1.00 0.00 C ATOM 122 OH TYR A 8 5.124 9.518 -6.971 1.00 0.00 O ATOM 0 H TYR A 8 4.727 4.121 -11.048 1.00 0.00 H new ATOM 0 HA TYR A 8 3.036 4.150 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.994 5.622 -11.235 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.605 5.612 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.325 5.769 -9.551 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.492 7.611 -8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.383 7.512 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.552 9.353 -7.547 1.00 0.00 H new ATOM 0 HH TYR A 8 4.573 10.328 -6.985 1.00 0.00 H new ATOM 132 N ALA A 9 2.490 1.826 -9.887 1.00 0.00 N ATOM 133 CA ALA A 9 1.670 0.672 -10.349 1.00 0.00 C ATOM 134 C ALA A 9 2.306 -0.595 -9.785 1.00 0.00 C ATOM 135 O ALA A 9 1.638 -1.477 -9.287 1.00 0.00 O ATOM 136 CB ALA A 9 1.663 0.618 -11.876 1.00 0.00 C ATOM 0 H ALA A 9 3.293 1.572 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 9 0.640 0.769 -10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.061 -0.228 -12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.239 1.541 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.684 0.503 -12.241 1.00 0.00 H new ATOM 142 N GLN A 10 3.610 -0.650 -9.811 1.00 0.00 N ATOM 143 CA GLN A 10 4.334 -1.810 -9.226 1.00 0.00 C ATOM 144 C GLN A 10 4.436 -1.522 -7.739 1.00 0.00 C ATOM 145 O GLN A 10 4.425 -2.406 -6.906 1.00 0.00 O ATOM 146 CB GLN A 10 5.732 -1.909 -9.839 1.00 0.00 C ATOM 147 CG GLN A 10 6.586 -2.877 -9.019 1.00 0.00 C ATOM 148 CD GLN A 10 7.903 -2.199 -8.638 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.022 -1.633 -7.570 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.906 -2.232 -9.473 1.00 0.00 N ATOM 0 H GLN A 10 4.209 0.068 -10.218 1.00 0.00 H new ATOM 0 HA GLN A 10 3.820 -2.751 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.664 -2.253 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.200 -0.925 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.049 -3.182 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.784 -3.781 -9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.807 -2.707 -10.370 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.788 -1.783 -9.228 1.00 0.00 H new ATOM 159 N LEU A 11 4.491 -0.260 -7.413 1.00 0.00 N ATOM 160 CA LEU A 11 4.544 0.155 -5.998 1.00 0.00 C ATOM 161 C LEU A 11 3.261 -0.340 -5.336 1.00 0.00 C ATOM 162 O LEU A 11 3.257 -0.809 -4.216 1.00 0.00 O ATOM 163 CB LEU A 11 4.607 1.681 -5.957 1.00 0.00 C ATOM 164 CG LEU A 11 4.354 2.183 -4.543 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.649 2.753 -3.979 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.302 3.288 -4.590 1.00 0.00 C ATOM 0 H LEU A 11 4.501 0.508 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 11 5.412 -0.254 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.584 2.021 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.866 2.101 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 11 4.005 1.364 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.476 3.115 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.412 1.975 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.987 3.578 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.114 3.654 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.662 4.107 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.377 2.893 -5.011 1.00 0.00 H new ATOM 178 N ILE A 12 2.172 -0.259 -6.054 1.00 0.00 N ATOM 179 CA ILE A 12 0.871 -0.746 -5.512 1.00 0.00 C ATOM 180 C ILE A 12 0.950 -2.259 -5.393 1.00 0.00 C ATOM 181 O ILE A 12 0.674 -2.834 -4.362 1.00 0.00 O ATOM 182 CB ILE A 12 -0.271 -0.418 -6.474 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.053 0.932 -7.192 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.583 -0.379 -5.698 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.757 1.899 -6.322 1.00 0.00 C ATOM 0 H ILE A 12 2.128 0.126 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 12 0.684 -0.268 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.302 -1.195 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.467 0.765 -8.135 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.018 1.378 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.402 -0.145 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.761 -1.350 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.525 0.386 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.894 2.840 -6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.223 2.084 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.731 1.462 -6.102 1.00 0.00 H new ATOM 197 N VAL A 13 1.327 -2.907 -6.457 1.00 0.00 N ATOM 198 CA VAL A 13 1.440 -4.383 -6.430 1.00 0.00 C ATOM 199 C VAL A 13 2.305 -4.773 -5.237 1.00 0.00 C ATOM 200 O VAL A 13 2.167 -5.836 -4.676 1.00 0.00 O ATOM 201 CB VAL A 13 2.095 -4.852 -7.724 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.306 -6.367 -7.675 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.183 -4.486 -8.896 1.00 0.00 C ATOM 0 H VAL A 13 1.563 -2.471 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 13 0.457 -4.846 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 13 3.064 -4.369 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.774 -6.699 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.950 -6.618 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.344 -6.865 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.640 -4.816 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.217 -4.975 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.042 -3.406 -8.923 1.00 0.00 H new ATOM 213 N GLN A 14 3.179 -3.901 -4.828 1.00 0.00 N ATOM 214 CA GLN A 14 4.033 -4.203 -3.651 1.00 0.00 C ATOM 215 C GLN A 14 3.172 -4.053 -2.398 1.00 0.00 C ATOM 216 O GLN A 14 3.278 -4.807 -1.450 1.00 0.00 O ATOM 217 CB GLN A 14 5.191 -3.206 -3.597 1.00 0.00 C ATOM 218 CG GLN A 14 6.362 -3.737 -4.422 1.00 0.00 C ATOM 219 CD GLN A 14 7.290 -4.548 -3.519 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.659 -5.658 -3.847 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.683 -4.037 -2.385 1.00 0.00 N ATOM 0 H GLN A 14 3.339 -2.990 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 14 4.437 -5.213 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.870 -2.239 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.502 -3.050 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.994 -4.360 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.908 -2.909 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.372 -3.105 -2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.301 -4.569 -1.773 1.00 0.00 H new ATOM 230 N ALA A 15 2.323 -3.067 -2.400 1.00 0.00 N ATOM 231 CA ALA A 15 1.435 -2.813 -1.234 1.00 0.00 C ATOM 232 C ALA A 15 0.480 -3.991 -0.994 1.00 0.00 C ATOM 233 O ALA A 15 0.361 -4.471 0.115 1.00 0.00 O ATOM 234 CB ALA A 15 0.616 -1.550 -1.504 1.00 0.00 C ATOM 0 H ALA A 15 2.205 -2.414 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 15 2.054 -2.689 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.039 -1.353 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.288 -0.704 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.015 -1.691 -2.402 1.00 0.00 H new ATOM 240 N ILE A 16 -0.229 -4.453 -1.998 1.00 0.00 N ATOM 241 CA ILE A 16 -1.184 -5.580 -1.741 1.00 0.00 C ATOM 242 C ILE A 16 -0.488 -6.941 -1.823 1.00 0.00 C ATOM 243 O ILE A 16 -0.863 -7.867 -1.131 1.00 0.00 O ATOM 244 CB ILE A 16 -2.360 -5.547 -2.719 1.00 0.00 C ATOM 245 CG1 ILE A 16 -1.938 -5.008 -4.084 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.457 -4.644 -2.155 1.00 0.00 C ATOM 247 CD1 ILE A 16 -0.832 -5.864 -4.691 1.00 0.00 C ATOM 0 H ILE A 16 -0.191 -4.111 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.563 -5.444 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.722 -6.567 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.798 -4.990 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.592 -3.979 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.298 -4.617 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.791 -5.035 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.065 -3.636 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.550 -5.459 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.035 -5.860 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.189 -6.886 -4.814 1.00 0.00 H new ATOM 259 N SER A 17 0.526 -7.084 -2.626 1.00 0.00 N ATOM 260 CA SER A 17 1.219 -8.399 -2.684 1.00 0.00 C ATOM 261 C SER A 17 1.767 -8.664 -1.300 1.00 0.00 C ATOM 262 O SER A 17 1.945 -9.789 -0.876 1.00 0.00 O ATOM 263 CB SER A 17 2.372 -8.341 -3.679 1.00 0.00 C ATOM 264 OG SER A 17 2.812 -9.660 -3.969 1.00 0.00 O ATOM 0 H SER A 17 0.902 -6.359 -3.237 1.00 0.00 H new ATOM 0 HA SER A 17 0.532 -9.184 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.052 -7.843 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.193 -7.754 -3.267 1.00 0.00 H new ATOM 0 HG SER A 17 3.786 -9.709 -3.870 1.00 0.00 H new ATOM 270 N SER A 18 2.021 -7.609 -0.594 1.00 0.00 N ATOM 271 CA SER A 18 2.551 -7.739 0.786 1.00 0.00 C ATOM 272 C SER A 18 1.396 -7.598 1.779 1.00 0.00 C ATOM 273 O SER A 18 1.520 -7.940 2.939 1.00 0.00 O ATOM 274 CB SER A 18 3.586 -6.644 1.040 1.00 0.00 C ATOM 275 OG SER A 18 3.749 -6.466 2.441 1.00 0.00 O ATOM 0 H SER A 18 1.884 -6.651 -0.915 1.00 0.00 H new ATOM 0 HA SER A 18 3.024 -8.713 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.538 -6.915 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.265 -5.710 0.578 1.00 0.00 H new ATOM 0 HG SER A 18 4.520 -5.885 2.609 1.00 0.00 H new ATOM 281 N ALA A 19 0.269 -7.099 1.338 1.00 0.00 N ATOM 282 CA ALA A 19 -0.883 -6.946 2.270 1.00 0.00 C ATOM 283 C ALA A 19 -1.299 -8.327 2.783 1.00 0.00 C ATOM 284 O ALA A 19 -0.884 -9.342 2.258 1.00 0.00 O ATOM 285 CB ALA A 19 -2.056 -6.300 1.532 1.00 0.00 C ATOM 0 H ALA A 19 0.100 -6.794 0.380 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.595 -6.314 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.898 -6.188 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.757 -5.320 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.350 -6.931 0.693 1.00 0.00 H new ATOM 291 N GLN A 20 -2.112 -8.375 3.803 1.00 0.00 N ATOM 292 CA GLN A 20 -2.551 -9.694 4.341 1.00 0.00 C ATOM 293 C GLN A 20 -2.912 -10.613 3.171 1.00 0.00 C ATOM 294 O GLN A 20 -2.092 -11.364 2.684 1.00 0.00 O ATOM 295 CB GLN A 20 -3.772 -9.499 5.241 1.00 0.00 C ATOM 296 CG GLN A 20 -3.315 -9.020 6.622 1.00 0.00 C ATOM 297 CD GLN A 20 -3.953 -7.665 6.932 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.884 -6.751 6.134 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.576 -7.495 8.066 1.00 0.00 N ATOM 0 H GLN A 20 -2.490 -7.560 4.286 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.747 -10.142 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.451 -8.771 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.323 -10.435 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.597 -9.748 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.229 -8.936 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.634 -8.262 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.005 -6.595 8.282 1.00 0.00 H new ATOM 308 N ASP A 21 -4.130 -10.549 2.707 1.00 0.00 N ATOM 309 CA ASP A 21 -4.530 -11.409 1.559 1.00 0.00 C ATOM 310 C ASP A 21 -3.958 -10.813 0.273 1.00 0.00 C ATOM 311 O ASP A 21 -3.014 -11.325 -0.296 1.00 0.00 O ATOM 312 CB ASP A 21 -6.060 -11.461 1.462 1.00 0.00 C ATOM 313 CG ASP A 21 -6.476 -12.610 0.542 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.618 -13.717 1.035 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.646 -12.363 -0.641 1.00 0.00 O ATOM 0 H ASP A 21 -4.863 -9.940 3.072 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.146 -12.419 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.493 -11.600 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.443 -10.516 1.076 1.00 0.00 H new ATOM 320 N ARG A 22 -4.522 -9.731 -0.183 1.00 0.00 N ATOM 321 CA ARG A 22 -4.021 -9.084 -1.425 1.00 0.00 C ATOM 322 C ARG A 22 -4.881 -7.856 -1.726 1.00 0.00 C ATOM 323 O ARG A 22 -5.079 -7.493 -2.868 1.00 0.00 O ATOM 324 CB ARG A 22 -4.119 -10.069 -2.592 1.00 0.00 C ATOM 325 CG ARG A 22 -2.770 -10.759 -2.796 1.00 0.00 C ATOM 326 CD ARG A 22 -2.970 -12.275 -2.806 1.00 0.00 C ATOM 327 NE ARG A 22 -1.858 -12.926 -2.061 1.00 0.00 N ATOM 328 CZ ARG A 22 -0.623 -12.728 -2.429 1.00 0.00 C ATOM 329 NH1 ARG A 22 -0.195 -13.209 -3.563 1.00 0.00 N ATOM 330 NH2 ARG A 22 0.184 -12.045 -1.664 1.00 0.00 N ATOM 0 H ARG A 22 -5.315 -9.264 0.256 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.981 -8.786 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.892 -10.811 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.411 -9.543 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.322 -10.434 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.081 -10.477 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.926 -12.530 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.999 -12.642 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.062 -13.527 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.826 -13.740 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.771 -13.054 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.151 -11.666 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.150 -11.890 -1.952 1.00 0.00 H new ATOM 344 N GLN A 23 -5.406 -7.220 -0.712 1.00 0.00 N ATOM 345 CA GLN A 23 -6.266 -6.030 -0.952 1.00 0.00 C ATOM 346 C GLN A 23 -5.901 -4.909 0.022 1.00 0.00 C ATOM 347 O GLN A 23 -5.700 -5.133 1.199 1.00 0.00 O ATOM 348 CB GLN A 23 -7.732 -6.415 -0.747 1.00 0.00 C ATOM 349 CG GLN A 23 -7.836 -7.461 0.364 1.00 0.00 C ATOM 350 CD GLN A 23 -9.161 -7.285 1.106 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.165 -6.953 0.508 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.208 -7.494 2.394 1.00 0.00 N ATOM 0 H GLN A 23 -5.276 -7.474 0.267 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.111 -5.681 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.317 -5.533 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.148 -6.811 -1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.774 -8.464 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.002 -7.355 1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.365 -7.773 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.087 -7.379 2.898 1.00 0.00 H new ATOM 361 N LEU A 24 -5.829 -3.701 -0.463 1.00 0.00 N ATOM 362 CA LEU A 24 -5.496 -2.555 0.419 1.00 0.00 C ATOM 363 C LEU A 24 -6.588 -1.496 0.286 1.00 0.00 C ATOM 364 O LEU A 24 -7.208 -1.361 -0.750 1.00 0.00 O ATOM 365 CB LEU A 24 -4.162 -1.950 -0.014 1.00 0.00 C ATOM 366 CG LEU A 24 -3.008 -2.791 0.535 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.679 -2.215 0.044 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.040 -2.762 2.064 1.00 0.00 C ATOM 0 H LEU A 24 -5.988 -3.460 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.425 -2.895 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.108 -1.908 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.082 -0.925 0.349 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.110 -3.819 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.856 -2.814 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.655 -2.233 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.577 -1.187 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.218 -3.361 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.937 -1.734 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.987 -3.171 2.416 1.00 0.00 H new ATOM 380 N THR A 25 -6.820 -0.730 1.313 1.00 0.00 N ATOM 381 CA THR A 25 -7.860 0.327 1.216 1.00 0.00 C ATOM 382 C THR A 25 -7.260 1.508 0.458 1.00 0.00 C ATOM 383 O THR A 25 -6.095 1.498 0.113 1.00 0.00 O ATOM 384 CB THR A 25 -8.279 0.772 2.621 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.191 0.593 3.517 1.00 0.00 O ATOM 386 CG2 THR A 25 -9.473 -0.062 3.090 1.00 0.00 C ATOM 0 H THR A 25 -6.338 -0.790 2.210 1.00 0.00 H new ATOM 0 HA THR A 25 -8.739 -0.052 0.695 1.00 0.00 H new ATOM 0 HB THR A 25 -8.562 1.824 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.457 0.879 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.769 0.256 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.307 0.078 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.195 -1.116 3.112 1.00 0.00 H new ATOM 394 N LEU A 26 -8.026 2.521 0.185 1.00 0.00 N ATOM 395 CA LEU A 26 -7.456 3.680 -0.553 1.00 0.00 C ATOM 396 C LEU A 26 -6.262 4.227 0.233 1.00 0.00 C ATOM 397 O LEU A 26 -5.225 4.530 -0.324 1.00 0.00 O ATOM 398 CB LEU A 26 -8.514 4.774 -0.710 1.00 0.00 C ATOM 399 CG LEU A 26 -8.204 5.597 -1.961 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.437 6.412 -2.353 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.041 6.546 -1.670 1.00 0.00 C ATOM 0 H LEU A 26 -9.011 2.599 0.437 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.134 3.360 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.506 4.329 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.523 5.417 0.170 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.934 4.928 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.217 6.999 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.268 5.738 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.706 7.081 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.819 7.133 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.313 7.215 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.161 5.968 -1.388 1.00 0.00 H new ATOM 413 N SER A 27 -6.402 4.352 1.525 1.00 0.00 N ATOM 414 CA SER A 27 -5.278 4.875 2.353 1.00 0.00 C ATOM 415 C SER A 27 -4.533 3.714 3.013 1.00 0.00 C ATOM 416 O SER A 27 -3.999 3.844 4.096 1.00 0.00 O ATOM 417 CB SER A 27 -5.834 5.788 3.438 1.00 0.00 C ATOM 418 OG SER A 27 -6.641 6.793 2.841 1.00 0.00 O ATOM 0 H SER A 27 -7.248 4.114 2.043 1.00 0.00 H new ATOM 0 HA SER A 27 -4.591 5.430 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.422 5.209 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.018 6.246 3.997 1.00 0.00 H new ATOM 0 HG SER A 27 -7.001 7.380 3.538 1.00 0.00 H new ATOM 424 N GLY A 28 -4.482 2.582 2.371 1.00 0.00 N ATOM 425 CA GLY A 28 -3.759 1.421 2.966 1.00 0.00 C ATOM 426 C GLY A 28 -2.396 1.323 2.301 1.00 0.00 C ATOM 427 O GLY A 28 -1.381 1.115 2.934 1.00 0.00 O ATOM 0 H GLY A 28 -4.909 2.409 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.649 1.552 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.324 0.502 2.813 1.00 0.00 H new ATOM 431 N ILE A 29 -2.388 1.482 1.016 1.00 0.00 N ATOM 432 CA ILE A 29 -1.130 1.421 0.240 1.00 0.00 C ATOM 433 C ILE A 29 -0.133 2.433 0.786 1.00 0.00 C ATOM 434 O ILE A 29 1.067 2.249 0.727 1.00 0.00 O ATOM 435 CB ILE A 29 -1.475 1.776 -1.191 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.248 1.653 -2.073 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.000 3.204 -1.260 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.641 2.054 -3.484 1.00 0.00 C ATOM 0 H ILE A 29 -3.223 1.656 0.456 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.684 0.429 0.305 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.242 1.087 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.552 2.294 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.130 0.631 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.246 3.452 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.894 3.293 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.236 3.890 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.226 1.974 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.430 1.394 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.001 3.083 -3.483 1.00 0.00 H new ATOM 450 N TYR A 30 -0.634 3.504 1.306 1.00 0.00 N ATOM 451 CA TYR A 30 0.249 4.566 1.856 1.00 0.00 C ATOM 452 C TYR A 30 0.902 4.085 3.150 1.00 0.00 C ATOM 453 O TYR A 30 2.100 4.183 3.324 1.00 0.00 O ATOM 454 CB TYR A 30 -0.595 5.807 2.114 1.00 0.00 C ATOM 455 CG TYR A 30 -1.396 6.088 0.869 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.820 5.879 -0.388 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.713 6.540 0.966 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.557 6.126 -1.550 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.453 6.787 -0.194 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.876 6.581 -1.453 1.00 0.00 C ATOM 461 OH TYR A 30 -3.608 6.824 -2.597 1.00 0.00 O ATOM 0 H TYR A 30 -1.633 3.698 1.377 1.00 0.00 H new ATOM 0 HA TYR A 30 1.041 4.802 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.256 5.649 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.041 6.657 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.198 5.526 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.160 6.699 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.109 5.966 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.472 7.137 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.683 7.791 -2.738 1.00 0.00 H new ATOM 471 N ALA A 31 0.130 3.558 4.053 1.00 0.00 N ATOM 472 CA ALA A 31 0.718 3.064 5.327 1.00 0.00 C ATOM 473 C ALA A 31 1.499 1.775 5.053 1.00 0.00 C ATOM 474 O ALA A 31 2.286 1.333 5.865 1.00 0.00 O ATOM 475 CB ALA A 31 -0.404 2.784 6.330 1.00 0.00 C ATOM 0 H ALA A 31 -0.880 3.447 3.966 1.00 0.00 H new ATOM 0 HA ALA A 31 1.390 3.816 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.025 2.422 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.961 3.702 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.076 2.029 5.923 1.00 0.00 H new ATOM 481 N HIS A 32 1.280 1.163 3.917 1.00 0.00 N ATOM 482 CA HIS A 32 2.002 -0.100 3.596 1.00 0.00 C ATOM 483 C HIS A 32 3.435 0.203 3.144 1.00 0.00 C ATOM 484 O HIS A 32 4.392 -0.126 3.816 1.00 0.00 O ATOM 485 CB HIS A 32 1.265 -0.831 2.476 1.00 0.00 C ATOM 486 CG HIS A 32 1.943 -2.145 2.213 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.310 -3.358 2.428 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.201 -2.451 1.760 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.182 -4.330 2.107 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.351 -3.832 1.695 1.00 0.00 N ATOM 0 H HIS A 32 0.631 1.486 3.199 1.00 0.00 H new ATOM 0 HA HIS A 32 2.038 -0.723 4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.224 -0.995 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.260 -0.223 1.571 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.357 -3.490 2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.959 -1.729 1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.964 -5.386 2.174 1.00 0.00 H new ATOM 498 N ILE A 33 3.589 0.808 1.997 1.00 0.00 N ATOM 499 CA ILE A 33 4.956 1.114 1.485 1.00 0.00 C ATOM 500 C ILE A 33 5.693 2.034 2.460 1.00 0.00 C ATOM 501 O ILE A 33 6.856 1.841 2.744 1.00 0.00 O ATOM 502 CB ILE A 33 4.847 1.795 0.119 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.966 3.040 0.232 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.223 0.821 -0.882 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.849 4.277 0.399 1.00 0.00 C ATOM 0 H ILE A 33 2.824 1.104 1.391 1.00 0.00 H new ATOM 0 HA ILE A 33 5.516 0.184 1.388 1.00 0.00 H new ATOM 0 HB ILE A 33 5.841 2.086 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.345 3.141 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.291 2.945 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.143 1.302 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.850 -0.066 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.230 0.532 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.221 5.164 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.451 4.175 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.506 4.375 -0.465 1.00 0.00 H new ATOM 517 N THR A 34 5.039 3.033 2.981 1.00 0.00 N ATOM 518 CA THR A 34 5.737 3.948 3.927 1.00 0.00 C ATOM 519 C THR A 34 6.297 3.129 5.090 1.00 0.00 C ATOM 520 O THR A 34 7.206 3.550 5.779 1.00 0.00 O ATOM 521 CB THR A 34 4.745 4.986 4.460 1.00 0.00 C ATOM 522 OG1 THR A 34 3.708 4.326 5.173 1.00 0.00 O ATOM 523 CG2 THR A 34 4.144 5.770 3.293 1.00 0.00 C ATOM 0 H THR A 34 4.061 3.255 2.796 1.00 0.00 H new ATOM 0 HA THR A 34 6.550 4.460 3.413 1.00 0.00 H new ATOM 0 HB THR A 34 5.265 5.674 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.106 3.882 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.439 6.508 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.940 6.277 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.625 5.085 2.623 1.00 0.00 H new ATOM 531 N LYS A 35 5.767 1.959 5.308 1.00 0.00 N ATOM 532 CA LYS A 35 6.270 1.106 6.420 1.00 0.00 C ATOM 533 C LYS A 35 7.454 0.260 5.936 1.00 0.00 C ATOM 534 O LYS A 35 8.427 0.080 6.642 1.00 0.00 O ATOM 535 CB LYS A 35 5.147 0.183 6.899 1.00 0.00 C ATOM 536 CG LYS A 35 5.098 0.193 8.428 1.00 0.00 C ATOM 537 CD LYS A 35 4.651 -1.182 8.932 1.00 0.00 C ATOM 538 CE LYS A 35 4.668 -1.197 10.462 1.00 0.00 C ATOM 539 NZ LYS A 35 3.717 -0.173 10.981 1.00 0.00 N ATOM 0 H LYS A 35 5.005 1.555 4.763 1.00 0.00 H new ATOM 0 HA LYS A 35 6.598 1.743 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.191 0.513 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.315 -0.831 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.080 0.439 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.408 0.962 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.649 -1.406 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.313 -1.956 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.391 -2.185 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.674 -0.992 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.496 -0.378 11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.149 0.770 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.842 -0.196 10.420 1.00 0.00 H new ATOM 553 N HIS A 36 7.374 -0.276 4.747 1.00 0.00 N ATOM 554 CA HIS A 36 8.491 -1.125 4.236 1.00 0.00 C ATOM 555 C HIS A 36 9.352 -0.336 3.243 1.00 0.00 C ATOM 556 O HIS A 36 10.134 -0.904 2.508 1.00 0.00 O ATOM 557 CB HIS A 36 7.911 -2.356 3.534 1.00 0.00 C ATOM 558 CG HIS A 36 7.525 -3.384 4.561 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.441 -4.281 5.090 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.326 -3.672 5.165 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.785 -5.056 5.972 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.493 -4.728 6.057 1.00 0.00 N ATOM 0 H HIS A 36 6.586 -0.163 4.109 1.00 0.00 H new ATOM 0 HA HIS A 36 9.113 -1.432 5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.041 -2.074 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.644 -2.773 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.395 -3.158 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.247 -5.848 6.543 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.782 -5.158 6.648 1.00 0.00 H new ATOM 570 N TYR A 37 9.225 0.962 3.217 1.00 0.00 N ATOM 571 CA TYR A 37 10.048 1.772 2.272 1.00 0.00 C ATOM 572 C TYR A 37 10.608 2.993 3.018 1.00 0.00 C ATOM 573 O TYR A 37 9.862 3.734 3.624 1.00 0.00 O ATOM 574 CB TYR A 37 9.171 2.239 1.104 1.00 0.00 C ATOM 575 CG TYR A 37 9.759 1.771 -0.202 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.341 0.503 -0.290 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.710 2.599 -1.329 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.877 0.062 -1.503 1.00 0.00 C ATOM 579 CE2 TYR A 37 10.244 2.158 -2.544 1.00 0.00 C ATOM 580 CZ TYR A 37 10.829 0.888 -2.632 1.00 0.00 C ATOM 581 OH TYR A 37 11.356 0.451 -3.830 1.00 0.00 O ATOM 0 H TYR A 37 8.588 1.497 3.808 1.00 0.00 H new ATOM 0 HA TYR A 37 10.870 1.170 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.160 1.847 1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.094 3.326 1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.376 -0.136 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.260 3.578 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.329 -0.917 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.205 2.796 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 37 10.715 -0.144 -4.272 1.00 0.00 H new ATOM 591 N PRO A 38 11.908 3.162 2.960 1.00 0.00 N ATOM 592 CA PRO A 38 12.590 4.283 3.637 1.00 0.00 C ATOM 593 C PRO A 38 12.429 5.583 2.841 1.00 0.00 C ATOM 594 O PRO A 38 12.191 6.635 3.400 1.00 0.00 O ATOM 595 CB PRO A 38 14.057 3.844 3.666 1.00 0.00 C ATOM 596 CG PRO A 38 14.225 2.804 2.535 1.00 0.00 C ATOM 597 CD PRO A 38 12.818 2.260 2.224 1.00 0.00 C ATOM 0 HA PRO A 38 12.186 4.487 4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.720 4.695 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.314 3.411 4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.668 3.262 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.892 1.999 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.613 2.275 1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.708 1.227 2.555 1.00 0.00 H new ATOM 605 N TYR A 39 12.564 5.524 1.545 1.00 0.00 N ATOM 606 CA TYR A 39 12.424 6.763 0.727 1.00 0.00 C ATOM 607 C TYR A 39 11.032 7.359 0.936 1.00 0.00 C ATOM 608 O TYR A 39 10.855 8.560 0.938 1.00 0.00 O ATOM 609 CB TYR A 39 12.617 6.426 -0.753 1.00 0.00 C ATOM 610 CG TYR A 39 12.470 7.684 -1.576 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.527 8.598 -1.653 1.00 0.00 C ATOM 612 CD2 TYR A 39 11.275 7.938 -2.260 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.391 9.765 -2.414 1.00 0.00 C ATOM 614 CE2 TYR A 39 11.138 9.104 -3.022 1.00 0.00 C ATOM 615 CZ TYR A 39 12.196 10.018 -3.098 1.00 0.00 C ATOM 616 OH TYR A 39 12.060 11.168 -3.849 1.00 0.00 O ATOM 0 H TYR A 39 12.765 4.674 1.018 1.00 0.00 H new ATOM 0 HA TYR A 39 13.179 7.486 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.602 5.987 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.883 5.684 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.449 8.403 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.458 7.234 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.207 10.470 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.217 9.299 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 39 11.170 11.188 -4.259 1.00 0.00 H new ATOM 626 N TYR A 40 10.043 6.528 1.113 1.00 0.00 N ATOM 627 CA TYR A 40 8.664 7.050 1.323 1.00 0.00 C ATOM 628 C TYR A 40 8.439 7.290 2.818 1.00 0.00 C ATOM 629 O TYR A 40 7.610 6.655 3.440 1.00 0.00 O ATOM 630 CB TYR A 40 7.648 6.028 0.811 1.00 0.00 C ATOM 631 CG TYR A 40 7.137 6.455 -0.545 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.599 7.735 -0.721 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.203 5.567 -1.627 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.124 8.127 -1.980 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.727 5.960 -2.884 1.00 0.00 C ATOM 636 CZ TYR A 40 6.189 7.240 -3.061 1.00 0.00 C ATOM 637 OH TYR A 40 5.720 7.625 -4.300 1.00 0.00 O ATOM 0 H TYR A 40 10.130 5.512 1.121 1.00 0.00 H new ATOM 0 HA TYR A 40 8.540 7.986 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.111 5.043 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.818 5.942 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.550 8.420 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.621 4.580 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.708 9.114 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.775 5.275 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 40 4.902 8.153 -4.190 1.00 0.00 H new ATOM 647 N ARG A 41 9.173 8.199 3.402 1.00 0.00 N ATOM 648 CA ARG A 41 9.000 8.473 4.856 1.00 0.00 C ATOM 649 C ARG A 41 9.024 9.982 5.105 1.00 0.00 C ATOM 650 O ARG A 41 9.059 10.433 6.232 1.00 0.00 O ATOM 651 CB ARG A 41 10.137 7.812 5.638 1.00 0.00 C ATOM 652 CG ARG A 41 9.748 6.375 5.993 1.00 0.00 C ATOM 653 CD ARG A 41 10.306 6.020 7.372 1.00 0.00 C ATOM 654 NE ARG A 41 9.196 5.994 8.364 1.00 0.00 N ATOM 655 CZ ARG A 41 9.454 5.798 9.629 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.634 6.086 10.105 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.533 5.314 10.416 1.00 0.00 N ATOM 0 H ARG A 41 9.884 8.762 2.935 1.00 0.00 H new ATOM 0 HA ARG A 41 8.044 8.068 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.051 7.816 5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.345 8.378 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.663 6.270 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.137 5.686 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.800 5.049 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.058 6.750 7.671 1.00 0.00 H new ATOM 0 HE ARG A 41 8.233 6.129 8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.354 6.464 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.837 5.933 11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.611 5.088 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.735 5.161 11.404 1.00 0.00 H new ATOM 671 N THR A 42 9.006 10.769 4.064 1.00 0.00 N ATOM 672 CA THR A 42 9.030 12.247 4.253 1.00 0.00 C ATOM 673 C THR A 42 8.647 12.941 2.944 1.00 0.00 C ATOM 674 O THR A 42 9.100 14.029 2.653 1.00 0.00 O ATOM 675 CB THR A 42 10.436 12.687 4.666 1.00 0.00 C ATOM 676 OG1 THR A 42 11.130 11.584 5.232 1.00 0.00 O ATOM 677 CG2 THR A 42 10.337 13.813 5.696 1.00 0.00 C ATOM 0 H THR A 42 8.976 10.454 3.094 1.00 0.00 H new ATOM 0 HA THR A 42 8.317 12.521 5.031 1.00 0.00 H new ATOM 0 HB THR A 42 10.977 13.045 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.031 11.865 5.496 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.339 14.126 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.806 14.659 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.796 13.457 6.573 1.00 0.00 H new ATOM 685 N ALA A 43 7.817 12.321 2.153 1.00 0.00 N ATOM 686 CA ALA A 43 7.408 12.951 0.867 1.00 0.00 C ATOM 687 C ALA A 43 6.223 12.180 0.281 1.00 0.00 C ATOM 688 O ALA A 43 6.392 11.184 -0.394 1.00 0.00 O ATOM 689 CB ALA A 43 8.579 12.911 -0.116 1.00 0.00 C ATOM 0 H ALA A 43 7.405 11.407 2.341 1.00 0.00 H new ATOM 0 HA ALA A 43 7.119 13.987 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.280 13.372 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.424 13.457 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.869 11.876 -0.295 1.00 0.00 H new ATOM 695 N ASP A 44 5.024 12.629 0.535 1.00 0.00 N ATOM 696 CA ASP A 44 3.837 11.913 -0.007 1.00 0.00 C ATOM 697 C ASP A 44 2.812 12.924 -0.522 1.00 0.00 C ATOM 698 O ASP A 44 1.642 12.625 -0.649 1.00 0.00 O ATOM 699 CB ASP A 44 3.205 11.066 1.099 1.00 0.00 C ATOM 700 CG ASP A 44 2.961 11.940 2.331 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.684 13.114 2.155 1.00 0.00 O ATOM 702 OD2 ASP A 44 3.057 11.418 3.431 1.00 0.00 O ATOM 0 H ASP A 44 4.817 13.458 1.092 1.00 0.00 H new ATOM 0 HA ASP A 44 4.150 11.269 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.265 10.637 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.860 10.233 1.354 1.00 0.00 H new ATOM 707 N LYS A 45 3.240 14.118 -0.824 1.00 0.00 N ATOM 708 CA LYS A 45 2.286 15.139 -1.334 1.00 0.00 C ATOM 709 C LYS A 45 2.223 15.058 -2.862 1.00 0.00 C ATOM 710 O LYS A 45 2.318 16.056 -3.549 1.00 0.00 O ATOM 711 CB LYS A 45 2.755 16.534 -0.914 1.00 0.00 C ATOM 712 CG LYS A 45 4.110 16.831 -1.559 1.00 0.00 C ATOM 713 CD LYS A 45 4.287 18.345 -1.700 1.00 0.00 C ATOM 714 CE LYS A 45 5.432 18.637 -2.673 1.00 0.00 C ATOM 715 NZ LYS A 45 6.328 19.677 -2.092 1.00 0.00 N ATOM 0 H LYS A 45 4.208 14.430 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 45 1.296 14.951 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.023 17.282 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.836 16.591 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.913 16.415 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.171 16.354 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.364 18.798 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.500 18.789 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.996 17.726 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.033 18.978 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.105 19.875 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.786 20.549 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.719 19.335 -1.191 1.00 0.00 H new ATOM 729 N GLY A 46 2.066 13.878 -3.400 1.00 0.00 N ATOM 730 CA GLY A 46 2.001 13.743 -4.883 1.00 0.00 C ATOM 731 C GLY A 46 1.475 12.353 -5.261 1.00 0.00 C ATOM 732 O GLY A 46 0.473 12.225 -5.937 1.00 0.00 O ATOM 0 H GLY A 46 1.980 13.005 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.350 14.512 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.990 13.896 -5.314 1.00 0.00 H new ATOM 736 N TRP A 47 2.146 11.312 -4.845 1.00 0.00 N ATOM 737 CA TRP A 47 1.680 9.940 -5.201 1.00 0.00 C ATOM 738 C TRP A 47 0.464 9.557 -4.360 1.00 0.00 C ATOM 739 O TRP A 47 -0.077 8.478 -4.494 1.00 0.00 O ATOM 740 CB TRP A 47 2.807 8.933 -4.960 1.00 0.00 C ATOM 741 CG TRP A 47 2.992 8.703 -3.494 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.454 9.621 -2.611 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.740 7.491 -2.727 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.509 9.044 -1.356 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.080 7.734 -1.376 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.256 6.215 -3.070 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.948 6.747 -0.401 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.122 5.221 -2.090 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.470 5.486 -0.761 1.00 0.00 C ATOM 0 H TRP A 47 2.992 11.352 -4.277 1.00 0.00 H new ATOM 0 HA TRP A 47 1.399 9.928 -6.254 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.575 7.991 -5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.734 9.303 -5.397 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.733 10.637 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.828 9.529 -0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.986 6.000 -4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.213 6.956 0.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.748 4.245 -2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.369 4.714 -0.013 1.00 0.00 H new ATOM 760 N GLN A 48 0.023 10.427 -3.502 1.00 0.00 N ATOM 761 CA GLN A 48 -1.163 10.099 -2.669 1.00 0.00 C ATOM 762 C GLN A 48 -2.384 9.942 -3.580 1.00 0.00 C ATOM 763 O GLN A 48 -2.953 8.874 -3.693 1.00 0.00 O ATOM 764 CB GLN A 48 -1.402 11.228 -1.666 1.00 0.00 C ATOM 765 CG GLN A 48 -1.951 10.646 -0.362 1.00 0.00 C ATOM 766 CD GLN A 48 -0.977 9.598 0.181 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.355 8.745 0.960 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.272 9.625 -0.199 1.00 0.00 N ATOM 0 H GLN A 48 0.430 11.348 -3.341 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.994 9.169 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.471 11.762 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.105 11.952 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.093 11.440 0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.928 10.194 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.591 10.340 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.929 8.931 0.158 1.00 0.00 H new ATOM 777 N ASN A 49 -2.785 10.995 -4.239 1.00 0.00 N ATOM 778 CA ASN A 49 -3.962 10.905 -5.151 1.00 0.00 C ATOM 779 C ASN A 49 -3.577 10.124 -6.412 1.00 0.00 C ATOM 780 O ASN A 49 -4.423 9.671 -7.155 1.00 0.00 O ATOM 781 CB ASN A 49 -4.411 12.317 -5.539 1.00 0.00 C ATOM 782 CG ASN A 49 -3.209 13.113 -6.050 1.00 0.00 C ATOM 783 OD1 ASN A 49 -2.342 12.572 -6.706 1.00 0.00 O ATOM 784 ND2 ASN A 49 -3.119 14.387 -5.776 1.00 0.00 N ATOM 0 H ASN A 49 -2.348 11.915 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.777 10.389 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.181 12.266 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.853 12.819 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.321 14.926 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.846 14.843 -5.225 1.00 0.00 H new ATOM 791 N SER A 50 -2.305 9.974 -6.663 1.00 0.00 N ATOM 792 CA SER A 50 -1.863 9.230 -7.880 1.00 0.00 C ATOM 793 C SER A 50 -2.116 7.728 -7.707 1.00 0.00 C ATOM 794 O SER A 50 -2.338 7.013 -8.663 1.00 0.00 O ATOM 795 CB SER A 50 -0.369 9.467 -8.100 1.00 0.00 C ATOM 796 OG SER A 50 -0.046 10.806 -7.746 1.00 0.00 O ATOM 0 H SER A 50 -1.551 10.334 -6.078 1.00 0.00 H new ATOM 0 HA SER A 50 -2.429 9.588 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.214 8.769 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.110 9.282 -9.142 1.00 0.00 H new ATOM 0 HG SER A 50 -0.057 10.898 -6.770 1.00 0.00 H new ATOM 802 N ILE A 51 -2.067 7.241 -6.498 1.00 0.00 N ATOM 803 CA ILE A 51 -2.286 5.783 -6.266 1.00 0.00 C ATOM 804 C ILE A 51 -3.760 5.426 -6.513 1.00 0.00 C ATOM 805 O ILE A 51 -4.068 4.461 -7.183 1.00 0.00 O ATOM 806 CB ILE A 51 -1.854 5.448 -4.821 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.602 4.575 -4.871 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.950 4.693 -4.052 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.421 5.180 -5.836 1.00 0.00 C ATOM 0 H ILE A 51 -1.884 7.790 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.689 5.192 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.662 6.387 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.168 4.490 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.864 3.567 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.603 4.478 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.849 5.307 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.176 3.758 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.310 4.551 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.013 5.242 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.695 6.179 -5.497 1.00 0.00 H new ATOM 821 N ARG A 52 -4.671 6.187 -5.971 1.00 0.00 N ATOM 822 CA ARG A 52 -6.115 5.872 -6.173 1.00 0.00 C ATOM 823 C ARG A 52 -6.466 5.989 -7.658 1.00 0.00 C ATOM 824 O ARG A 52 -7.271 5.241 -8.177 1.00 0.00 O ATOM 825 CB ARG A 52 -6.972 6.849 -5.364 1.00 0.00 C ATOM 826 CG ARG A 52 -6.560 8.287 -5.687 1.00 0.00 C ATOM 827 CD ARG A 52 -7.523 8.878 -6.719 1.00 0.00 C ATOM 828 NE ARG A 52 -8.926 8.572 -6.322 1.00 0.00 N ATOM 829 CZ ARG A 52 -9.822 8.317 -7.237 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.007 9.154 -8.221 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.532 7.225 -7.167 1.00 0.00 N ATOM 0 H ARG A 52 -4.480 7.010 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.312 4.854 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.027 6.702 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.851 6.657 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.568 8.891 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.541 8.306 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.381 9.956 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.314 8.464 -7.706 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.187 8.562 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.452 10.008 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.707 8.954 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.387 6.571 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.232 7.025 -7.881 1.00 0.00 H new ATOM 845 N HIS A 53 -5.872 6.924 -8.346 1.00 0.00 N ATOM 846 CA HIS A 53 -6.176 7.091 -9.795 1.00 0.00 C ATOM 847 C HIS A 53 -5.508 5.969 -10.601 1.00 0.00 C ATOM 848 O HIS A 53 -6.017 5.534 -11.614 1.00 0.00 O ATOM 849 CB HIS A 53 -5.651 8.448 -10.267 1.00 0.00 C ATOM 850 CG HIS A 53 -6.149 8.724 -11.659 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.736 7.980 -12.752 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.026 9.659 -12.152 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.358 8.474 -13.838 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.157 9.499 -13.528 1.00 0.00 N ATOM 0 H HIS A 53 -5.189 7.580 -7.967 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.254 7.043 -9.947 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.983 9.234 -9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.561 8.453 -10.252 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.536 10.405 -11.561 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.227 8.089 -14.839 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.738 10.046 -14.163 1.00 0.00 H new ATOM 862 N ASN A 54 -4.370 5.499 -10.161 1.00 0.00 N ATOM 863 CA ASN A 54 -3.675 4.409 -10.907 1.00 0.00 C ATOM 864 C ASN A 54 -4.484 3.118 -10.810 1.00 0.00 C ATOM 865 O ASN A 54 -4.663 2.408 -11.780 1.00 0.00 O ATOM 866 CB ASN A 54 -2.289 4.176 -10.300 1.00 0.00 C ATOM 867 CG ASN A 54 -1.262 5.030 -11.043 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.115 4.917 -12.244 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.542 5.890 -10.377 1.00 0.00 N ATOM 0 H ASN A 54 -3.893 5.822 -9.319 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.577 4.700 -11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.295 4.434 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.021 3.122 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.144 6.467 -10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.665 5.986 -9.369 1.00 0.00 H new ATOM 876 N LEU A 55 -4.971 2.805 -9.644 1.00 0.00 N ATOM 877 CA LEU A 55 -5.760 1.557 -9.475 1.00 0.00 C ATOM 878 C LEU A 55 -6.924 1.533 -10.470 1.00 0.00 C ATOM 879 O LEU A 55 -7.504 0.498 -10.733 1.00 0.00 O ATOM 880 CB LEU A 55 -6.298 1.507 -8.047 1.00 0.00 C ATOM 881 CG LEU A 55 -5.126 1.515 -7.068 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.661 1.586 -5.638 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.308 0.235 -7.246 1.00 0.00 C ATOM 0 H LEU A 55 -4.856 3.362 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.124 0.692 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.949 2.361 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.901 0.610 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.492 2.380 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.826 1.592 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.246 2.497 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.293 0.720 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.471 0.238 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.940 -0.631 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.929 0.184 -8.267 1.00 0.00 H new ATOM 895 N SER A 56 -7.267 2.660 -11.032 1.00 0.00 N ATOM 896 CA SER A 56 -8.388 2.692 -12.012 1.00 0.00 C ATOM 897 C SER A 56 -7.842 2.458 -13.425 1.00 0.00 C ATOM 898 O SER A 56 -8.482 1.843 -14.253 1.00 0.00 O ATOM 899 CB SER A 56 -9.078 4.055 -11.956 1.00 0.00 C ATOM 900 OG SER A 56 -9.969 4.086 -10.850 1.00 0.00 O ATOM 0 H SER A 56 -6.819 3.559 -10.855 1.00 0.00 H new ATOM 0 HA SER A 56 -9.105 1.909 -11.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.336 4.847 -11.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.623 4.238 -12.882 1.00 0.00 H new ATOM 0 HG SER A 56 -10.411 4.960 -10.811 1.00 0.00 H new ATOM 906 N LEU A 57 -6.669 2.954 -13.708 1.00 0.00 N ATOM 907 CA LEU A 57 -6.090 2.770 -15.067 1.00 0.00 C ATOM 908 C LEU A 57 -5.271 1.476 -15.118 1.00 0.00 C ATOM 909 O LEU A 57 -4.702 1.134 -16.136 1.00 0.00 O ATOM 910 CB LEU A 57 -5.184 3.957 -15.392 1.00 0.00 C ATOM 911 CG LEU A 57 -4.018 3.998 -14.406 1.00 0.00 C ATOM 912 CD1 LEU A 57 -2.935 3.017 -14.855 1.00 0.00 C ATOM 913 CD2 LEU A 57 -3.439 5.414 -14.365 1.00 0.00 C ATOM 0 H LEU A 57 -6.087 3.479 -13.056 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.898 2.709 -15.796 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.808 3.872 -16.412 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.752 4.886 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.370 3.719 -13.413 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.103 3.046 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.348 2.009 -14.887 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.581 3.295 -15.848 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.607 5.446 -13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.086 5.692 -15.358 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.211 6.114 -14.045 1.00 0.00 H new ATOM 925 N ASN A 58 -5.205 0.753 -14.034 1.00 0.00 N ATOM 926 CA ASN A 58 -4.421 -0.519 -14.042 1.00 0.00 C ATOM 927 C ASN A 58 -5.333 -1.673 -14.460 1.00 0.00 C ATOM 928 O ASN A 58 -6.520 -1.665 -14.199 1.00 0.00 O ATOM 929 CB ASN A 58 -3.846 -0.790 -12.649 1.00 0.00 C ATOM 930 CG ASN A 58 -2.431 -0.213 -12.568 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.513 -0.743 -13.161 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.214 0.857 -11.854 1.00 0.00 N ATOM 0 H ASN A 58 -5.655 0.984 -13.148 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.598 -0.430 -14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.480 -0.338 -11.886 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.826 -1.862 -12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.274 1.248 -11.794 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.984 1.303 -11.356 1.00 0.00 H new ATOM 939 N ARG A 59 -4.794 -2.660 -15.124 1.00 0.00 N ATOM 940 CA ARG A 59 -5.642 -3.801 -15.573 1.00 0.00 C ATOM 941 C ARG A 59 -5.671 -4.907 -14.511 1.00 0.00 C ATOM 942 O ARG A 59 -6.444 -5.839 -14.607 1.00 0.00 O ATOM 943 CB ARG A 59 -5.092 -4.361 -16.888 1.00 0.00 C ATOM 944 CG ARG A 59 -3.652 -4.837 -16.690 1.00 0.00 C ATOM 945 CD ARG A 59 -3.109 -5.369 -18.018 1.00 0.00 C ATOM 946 NE ARG A 59 -1.714 -4.883 -18.217 1.00 0.00 N ATOM 947 CZ ARG A 59 -1.195 -4.862 -19.414 1.00 0.00 C ATOM 948 NH1 ARG A 59 -1.007 -5.978 -20.065 1.00 0.00 N ATOM 949 NH2 ARG A 59 -0.863 -3.725 -19.962 1.00 0.00 N ATOM 0 H ARG A 59 -3.807 -2.725 -15.374 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.660 -3.441 -15.724 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.714 -5.189 -17.229 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.128 -3.595 -17.663 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.031 -4.016 -16.333 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.616 -5.618 -15.930 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.129 -6.459 -18.021 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.742 -5.036 -18.841 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.165 -4.567 -17.418 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.266 -6.867 -19.638 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.601 -5.960 -21.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.009 -2.852 -19.455 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.457 -3.709 -20.898 1.00 0.00 H new ATOM 963 N TYR A 60 -4.850 -4.822 -13.495 1.00 0.00 N ATOM 964 CA TYR A 60 -4.874 -5.888 -12.449 1.00 0.00 C ATOM 965 C TYR A 60 -5.536 -5.360 -11.179 1.00 0.00 C ATOM 966 O TYR A 60 -6.105 -6.108 -10.415 1.00 0.00 O ATOM 967 CB TYR A 60 -3.453 -6.352 -12.106 1.00 0.00 C ATOM 968 CG TYR A 60 -2.450 -5.259 -12.389 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.511 -4.034 -11.707 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.453 -5.478 -13.341 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.571 -3.035 -11.989 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.515 -4.482 -13.621 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.574 -3.259 -12.946 1.00 0.00 C ATOM 974 OH TYR A 60 0.350 -2.273 -13.222 1.00 0.00 O ATOM 0 H TYR A 60 -4.174 -4.073 -13.346 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.441 -6.731 -12.845 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.402 -6.636 -11.055 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.205 -7.239 -12.688 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.280 -3.862 -10.968 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.407 -6.422 -13.863 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.615 -2.090 -11.467 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.255 -4.656 -14.358 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.117 -1.446 -13.466 1.00 0.00 H new ATOM 984 N PHE A 61 -5.459 -4.087 -10.934 1.00 0.00 N ATOM 985 CA PHE A 61 -6.075 -3.552 -9.694 1.00 0.00 C ATOM 986 C PHE A 61 -7.578 -3.401 -9.879 1.00 0.00 C ATOM 987 O PHE A 61 -8.062 -2.471 -10.492 1.00 0.00 O ATOM 988 CB PHE A 61 -5.434 -2.215 -9.344 1.00 0.00 C ATOM 989 CG PHE A 61 -4.031 -2.495 -8.879 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.819 -3.323 -7.770 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.942 -1.959 -9.569 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.522 -3.606 -7.351 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.643 -2.245 -9.152 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.431 -3.070 -8.041 1.00 0.00 C ATOM 0 H PHE A 61 -5.001 -3.399 -11.532 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.904 -4.248 -8.873 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.426 -1.555 -10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.003 -1.709 -8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.661 -3.742 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.106 -1.323 -10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.359 -4.240 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.801 -1.830 -9.686 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.425 -3.292 -7.717 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.310 -4.333 -9.343 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.793 -4.297 -9.458 1.00 0.00 C ATOM 1006 C ILE A 62 -10.378 -3.547 -8.259 1.00 0.00 C ATOM 1007 O ILE A 62 -9.679 -3.214 -7.322 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.332 -5.733 -9.484 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.323 -6.317 -8.067 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.445 -6.596 -10.384 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.748 -7.785 -8.116 1.00 0.00 C ATOM 0 H ILE A 62 -7.940 -5.129 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.079 -3.785 -10.377 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.352 -5.723 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.327 -6.230 -7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.000 -5.753 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.828 -7.616 -10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.448 -6.189 -11.395 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.426 -6.598 -9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.741 -8.200 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.753 -7.859 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.053 -8.344 -8.743 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.656 -3.285 -8.276 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.284 -2.566 -7.132 1.00 0.00 C ATOM 1025 C LYS A 63 -13.349 -3.462 -6.498 1.00 0.00 C ATOM 1026 O LYS A 63 -14.190 -4.017 -7.177 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.932 -1.275 -7.633 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.475 -0.103 -6.762 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.044 1.201 -7.324 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.776 1.961 -6.215 1.00 0.00 C ATOM 1031 NZ LYS A 63 -15.238 1.977 -6.506 1.00 0.00 N ATOM 0 H LYS A 63 -12.292 -3.538 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.523 -2.322 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.658 -1.098 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.018 -1.364 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.811 -0.246 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.386 -0.057 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.240 1.815 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.728 0.987 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.591 1.487 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.397 2.981 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.736 2.493 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.405 2.448 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.594 1.001 -6.550 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.319 -3.611 -5.202 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.330 -4.475 -4.532 1.00 0.00 C ATOM 1047 C VAL A 64 -14.955 -3.724 -3.352 1.00 0.00 C ATOM 1048 O VAL A 64 -14.475 -3.813 -2.239 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.650 -5.747 -4.022 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.546 -5.374 -3.032 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.683 -6.630 -3.320 1.00 0.00 C ATOM 0 H VAL A 64 -12.640 -3.173 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.111 -4.736 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.217 -6.289 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.062 -6.280 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.809 -4.743 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.979 -4.832 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.200 -7.537 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -15.115 -6.087 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.472 -6.897 -4.023 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.828 -0.788 -1.018 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.563 -1.507 -0.697 1.00 0.00 C ATOM 1220 C PHE A 76 -10.822 -1.830 -1.996 1.00 0.00 C ATOM 1221 O PHE A 76 -11.338 -2.506 -2.864 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.882 -2.807 0.044 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.800 -3.087 1.060 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.473 -3.249 0.645 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.125 -3.187 2.418 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.470 -3.510 1.587 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.124 -3.448 3.360 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.797 -3.610 2.945 1.00 0.00 C ATOM 0 HA PHE A 76 -10.938 -0.877 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.849 -2.727 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.954 -3.633 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.222 -3.173 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.149 -3.063 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.446 -3.634 1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.375 -3.524 4.408 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.025 -3.812 3.673 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.619 -1.348 -2.140 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.850 -1.622 -3.385 1.00 0.00 C ATOM 1240 C TRP A 77 -8.238 -3.025 -3.322 1.00 0.00 C ATOM 1241 O TRP A 77 -7.902 -3.518 -2.265 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.737 -0.585 -3.523 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.155 0.459 -4.505 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.329 1.771 -4.223 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.457 0.301 -5.920 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.714 2.428 -5.378 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.808 1.564 -6.450 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.460 -0.807 -6.785 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.148 1.722 -7.793 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.801 -0.652 -8.137 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.143 0.610 -8.640 1.00 0.00 C ATOM 0 H TRP A 77 -9.135 -0.776 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.518 -1.564 -4.244 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.528 -0.128 -2.556 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.816 -1.065 -3.855 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.190 2.230 -3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -8.905 3.429 -5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.198 -1.784 -6.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.413 2.696 -8.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.800 -1.510 -8.793 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.403 0.724 -9.682 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.097 -3.672 -4.448 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.510 -5.043 -4.455 1.00 0.00 C ATOM 1264 C ARG A 78 -7.016 -5.383 -5.861 1.00 0.00 C ATOM 1265 O ARG A 78 -7.496 -4.853 -6.841 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.580 -6.058 -4.051 1.00 0.00 C ATOM 1267 CG ARG A 78 -7.949 -7.442 -3.896 1.00 0.00 C ATOM 1268 CD ARG A 78 -8.998 -8.424 -3.369 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.058 -9.616 -4.261 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.109 -10.391 -4.244 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.309 -11.200 -3.239 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.962 -10.356 -5.231 1.00 0.00 N ATOM 0 H ARG A 78 -8.363 -3.310 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.678 -5.079 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.047 -5.754 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.367 -6.089 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.562 -7.787 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.103 -7.393 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.747 -8.729 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.974 -7.941 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.279 -9.827 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.644 -11.227 -2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.130 -11.805 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.808 -9.723 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.783 -10.961 -5.217 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.075 -6.279 -5.965 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.563 -6.680 -7.307 1.00 0.00 C ATOM 1288 C ILE A 79 -6.047 -8.103 -7.605 1.00 0.00 C ATOM 1289 O ILE A 79 -6.456 -8.822 -6.716 1.00 0.00 O ATOM 1290 CB ILE A 79 -4.032 -6.631 -7.316 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.526 -6.826 -8.744 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.471 -7.738 -6.429 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.384 -5.847 -9.017 1.00 0.00 C ATOM 0 H ILE A 79 -5.636 -6.753 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.934 -5.995 -8.070 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.704 -5.663 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.182 -7.851 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.337 -6.663 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.382 -7.697 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.828 -7.603 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.801 -8.707 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.022 -5.985 -10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.744 -4.825 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.571 -6.032 -8.315 1.00 0.00 H new ATOM 1305 N ASP A 80 -6.021 -8.514 -8.843 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.499 -9.885 -9.177 1.00 0.00 C ATOM 1307 C ASP A 80 -5.578 -10.922 -8.530 1.00 0.00 C ATOM 1308 O ASP A 80 -4.403 -10.678 -8.347 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.499 -10.076 -10.695 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.796 -9.516 -11.282 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.785 -10.231 -11.274 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.779 -8.381 -11.730 1.00 0.00 O ATOM 0 H ASP A 80 -5.691 -7.962 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.513 -10.014 -8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.640 -9.570 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.405 -11.134 -10.939 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.149 -12.051 -8.200 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.413 -13.158 -7.565 1.00 0.00 C ATOM 1319 C PRO A 81 -4.622 -13.943 -8.615 1.00 0.00 C ATOM 1320 O PRO A 81 -3.567 -14.480 -8.339 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.522 -14.022 -6.961 1.00 0.00 C ATOM 1322 CG PRO A 81 -7.815 -13.692 -7.748 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.583 -12.328 -8.428 1.00 0.00 C ATOM 0 HA PRO A 81 -4.687 -12.824 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.277 -15.081 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.648 -13.806 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.025 -14.463 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.675 -13.650 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.817 -12.368 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.213 -11.553 -7.992 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.123 -14.015 -9.819 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.402 -14.766 -10.883 1.00 0.00 C ATOM 1333 C ALA A 82 -3.439 -13.828 -11.616 1.00 0.00 C ATOM 1334 O ALA A 82 -2.506 -14.264 -12.259 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.413 -15.340 -11.878 1.00 0.00 C ATOM 0 H ALA A 82 -6.001 -13.585 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.836 -15.579 -10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.885 -15.890 -12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.094 -16.013 -11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.981 -14.527 -12.330 1.00 0.00 H new ATOM 1341 N SER A 83 -3.654 -12.542 -11.523 1.00 0.00 N ATOM 1342 CA SER A 83 -2.742 -11.588 -12.214 1.00 0.00 C ATOM 1343 C SER A 83 -1.596 -11.222 -11.278 1.00 0.00 C ATOM 1344 O SER A 83 -0.624 -10.623 -11.682 1.00 0.00 O ATOM 1345 CB SER A 83 -3.506 -10.313 -12.581 1.00 0.00 C ATOM 1346 OG SER A 83 -4.564 -10.636 -13.472 1.00 0.00 O ATOM 0 H SER A 83 -4.418 -12.114 -11.001 1.00 0.00 H new ATOM 0 HA SER A 83 -2.354 -12.055 -13.119 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.904 -9.843 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.832 -9.593 -13.045 1.00 0.00 H new ATOM 0 HG SER A 83 -5.055 -9.821 -13.706 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.704 -11.568 -10.027 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.619 -11.212 -9.072 1.00 0.00 C ATOM 1354 C GLU A 84 0.706 -11.801 -9.543 1.00 0.00 C ATOM 1355 O GLU A 84 1.619 -11.074 -9.870 1.00 0.00 O ATOM 1356 CB GLU A 84 -0.950 -11.754 -7.677 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.758 -10.711 -6.902 1.00 0.00 C ATOM 1358 CD GLU A 84 -2.923 -11.397 -6.186 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -2.833 -12.593 -5.961 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -3.886 -10.715 -5.876 1.00 0.00 O ATOM 0 H GLU A 84 -2.491 -12.078 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.535 -10.126 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.518 -12.681 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.031 -11.990 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.119 -10.205 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.134 -9.948 -7.583 1.00 0.00 H new ATOM 1367 N ALA A 85 0.819 -13.103 -9.578 1.00 0.00 N ATOM 1368 CA ALA A 85 2.096 -13.742 -10.024 1.00 0.00 C ATOM 1369 C ALA A 85 2.732 -12.925 -11.153 1.00 0.00 C ATOM 1370 O ALA A 85 3.937 -12.896 -11.306 1.00 0.00 O ATOM 1371 CB ALA A 85 1.807 -15.159 -10.523 1.00 0.00 C ATOM 0 H ALA A 85 0.080 -13.755 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 85 2.787 -13.780 -9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.736 -15.627 -10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.368 -15.746 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.110 -15.115 -11.360 1.00 0.00 H new ATOM 1377 N LYS A 86 1.935 -12.259 -11.944 1.00 0.00 N ATOM 1378 CA LYS A 86 2.501 -11.444 -13.054 1.00 0.00 C ATOM 1379 C LYS A 86 2.948 -10.080 -12.521 1.00 0.00 C ATOM 1380 O LYS A 86 4.117 -9.749 -12.546 1.00 0.00 O ATOM 1381 CB LYS A 86 1.437 -11.242 -14.135 1.00 0.00 C ATOM 1382 CG LYS A 86 2.055 -10.512 -15.329 1.00 0.00 C ATOM 1383 CD LYS A 86 0.961 -10.173 -16.343 1.00 0.00 C ATOM 1384 CE LYS A 86 0.062 -9.073 -15.777 1.00 0.00 C ATOM 1385 NZ LYS A 86 0.567 -7.741 -16.214 1.00 0.00 N ATOM 0 H LYS A 86 0.918 -12.245 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 86 3.359 -11.965 -13.478 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.037 -12.205 -14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.602 -10.666 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.550 -9.601 -14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.817 -11.136 -15.796 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.409 -9.844 -17.281 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.370 -11.061 -16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.963 -9.215 -16.120 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.045 -9.128 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.045 -6.994 -15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.538 -7.607 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.561 -7.691 -17.253 1.00 0.00 H new ATOM 1399 N LEU A 87 2.029 -9.277 -12.053 1.00 0.00 N ATOM 1400 CA LEU A 87 2.417 -7.930 -11.536 1.00 0.00 C ATOM 1401 C LEU A 87 3.519 -8.065 -10.498 1.00 0.00 C ATOM 1402 O LEU A 87 4.593 -7.518 -10.638 1.00 0.00 O ATOM 1403 CB LEU A 87 1.217 -7.220 -10.889 1.00 0.00 C ATOM 1404 CG LEU A 87 0.191 -8.227 -10.356 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.169 -7.872 -8.913 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.078 -8.162 -11.211 1.00 0.00 C ATOM 0 H LEU A 87 1.033 -9.493 -12.006 1.00 0.00 H new ATOM 0 HA LEU A 87 2.769 -7.340 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.564 -6.586 -10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.741 -6.567 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 87 0.616 -9.230 -10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.898 -8.588 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.728 -7.906 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.594 -6.869 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.808 -8.877 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.497 -7.157 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.833 -8.405 -12.245 1.00 0.00 H new ATOM 1418 N VAL A 88 3.251 -8.777 -9.454 1.00 0.00 N ATOM 1419 CA VAL A 88 4.260 -8.949 -8.384 1.00 0.00 C ATOM 1420 C VAL A 88 5.651 -9.161 -8.981 1.00 0.00 C ATOM 1421 O VAL A 88 6.653 -8.839 -8.374 1.00 0.00 O ATOM 1422 CB VAL A 88 3.904 -10.175 -7.587 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.596 -9.941 -6.829 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.746 -11.352 -8.545 1.00 0.00 C ATOM 0 H VAL A 88 2.365 -9.255 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 88 4.268 -8.055 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 88 4.692 -10.389 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.344 -10.832 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.714 -9.094 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.797 -9.729 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.488 -12.248 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.954 -11.134 -9.262 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.683 -11.516 -9.078 1.00 0.00 H new ATOM 1434 N GLU A 89 5.726 -9.716 -10.154 1.00 0.00 N ATOM 1435 CA GLU A 89 7.060 -9.959 -10.771 1.00 0.00 C ATOM 1436 C GLU A 89 7.834 -8.645 -10.771 1.00 0.00 C ATOM 1437 O GLU A 89 8.931 -8.560 -10.256 1.00 0.00 O ATOM 1438 CB GLU A 89 6.882 -10.446 -12.211 1.00 0.00 C ATOM 1439 CG GLU A 89 6.133 -11.778 -12.211 1.00 0.00 C ATOM 1440 CD GLU A 89 6.783 -12.727 -13.220 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.811 -13.296 -12.890 1.00 0.00 O ATOM 1442 OE2 GLU A 89 6.243 -12.868 -14.304 1.00 0.00 O ATOM 0 H GLU A 89 4.926 -10.012 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 89 7.601 -10.718 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.330 -9.706 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.855 -10.564 -12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.154 -12.219 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.086 -11.619 -12.467 1.00 0.00 H new ATOM 1449 N GLN A 90 7.263 -7.614 -11.321 1.00 0.00 N ATOM 1450 CA GLN A 90 7.957 -6.302 -11.323 1.00 0.00 C ATOM 1451 C GLN A 90 7.951 -5.749 -9.896 1.00 0.00 C ATOM 1452 O GLN A 90 8.700 -4.853 -9.559 1.00 0.00 O ATOM 1453 CB GLN A 90 7.221 -5.332 -12.251 1.00 0.00 C ATOM 1454 CG GLN A 90 7.543 -5.673 -13.709 1.00 0.00 C ATOM 1455 CD GLN A 90 8.986 -5.274 -14.021 1.00 0.00 C ATOM 1456 OE1 GLN A 90 9.792 -6.104 -14.390 1.00 0.00 O ATOM 1457 NE2 GLN A 90 9.347 -4.027 -13.890 1.00 0.00 N ATOM 0 H GLN A 90 6.347 -7.623 -11.769 1.00 0.00 H new ATOM 0 HA GLN A 90 8.982 -6.421 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.146 -5.395 -12.081 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.519 -4.307 -12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.404 -6.740 -13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.858 -5.149 -14.376 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.670 -3.330 -13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.306 -3.749 -14.098 1.00 0.00 H new ATOM 1466 N ALA A 91 7.102 -6.281 -9.054 1.00 0.00 N ATOM 1467 CA ALA A 91 7.032 -5.796 -7.646 1.00 0.00 C ATOM 1468 C ALA A 91 8.286 -6.230 -6.884 1.00 0.00 C ATOM 1469 O ALA A 91 9.193 -5.452 -6.670 1.00 0.00 O ATOM 1470 CB ALA A 91 5.796 -6.379 -6.963 1.00 0.00 C ATOM 0 H ALA A 91 6.453 -7.033 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 91 6.969 -4.708 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.747 -6.023 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.901 -6.063 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.857 -7.467 -6.968 1.00 0.00 H new ATOM 1476 N PHE A 92 8.344 -7.467 -6.472 1.00 0.00 N ATOM 1477 CA PHE A 92 9.540 -7.946 -5.721 1.00 0.00 C ATOM 1478 C PHE A 92 10.813 -7.486 -6.437 1.00 0.00 C ATOM 1479 O PHE A 92 11.797 -7.143 -5.811 1.00 0.00 O ATOM 1480 CB PHE A 92 9.518 -9.475 -5.644 1.00 0.00 C ATOM 1481 CG PHE A 92 8.221 -9.940 -5.023 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.486 -9.078 -4.196 1.00 0.00 C ATOM 1483 CD2 PHE A 92 7.753 -11.236 -5.271 1.00 0.00 C ATOM 1484 CE1 PHE A 92 6.285 -9.513 -3.622 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.553 -11.670 -4.697 1.00 0.00 C ATOM 1486 CZ PHE A 92 5.819 -10.810 -3.872 1.00 0.00 C ATOM 0 H PHE A 92 7.616 -8.166 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 92 9.524 -7.533 -4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.626 -9.900 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.362 -9.830 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.846 -8.079 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.319 -11.902 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.718 -8.849 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.193 -12.670 -4.891 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.894 -11.146 -3.428 1.00 0.00 H new ATOM 1496 N ARG A 93 10.804 -7.476 -7.742 1.00 0.00 N ATOM 1497 CA ARG A 93 12.015 -7.037 -8.492 1.00 0.00 C ATOM 1498 C ARG A 93 11.889 -5.554 -8.847 1.00 0.00 C ATOM 1499 O ARG A 93 11.166 -5.182 -9.749 1.00 0.00 O ATOM 1500 CB ARG A 93 12.146 -7.860 -9.776 1.00 0.00 C ATOM 1501 CG ARG A 93 13.502 -7.578 -10.427 1.00 0.00 C ATOM 1502 CD ARG A 93 13.534 -8.182 -11.831 1.00 0.00 C ATOM 1503 NE ARG A 93 13.890 -9.627 -11.745 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.212 -10.422 -10.962 1.00 0.00 C ATOM 1505 NH1 ARG A 93 11.943 -10.628 -11.183 1.00 0.00 N ATOM 1506 NH2 ARG A 93 13.803 -11.011 -9.960 1.00 0.00 N ATOM 0 H ARG A 93 10.011 -7.753 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 93 12.899 -7.187 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.053 -8.922 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.340 -7.608 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.675 -6.503 -10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.303 -8.001 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.562 -8.064 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.261 -7.654 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 93 14.664 -9.995 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.481 -10.168 -11.967 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.413 -11.249 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.795 -10.851 -9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.273 -11.632 -9.349 1.00 0.00 H new ATOM 1520 N LYS A 94 12.587 -4.703 -8.144 1.00 0.00 N ATOM 1521 CA LYS A 94 12.506 -3.246 -8.443 1.00 0.00 C ATOM 1522 C LYS A 94 12.979 -2.989 -9.876 1.00 0.00 C ATOM 1523 O LYS A 94 13.668 -3.799 -10.466 1.00 0.00 O ATOM 1524 CB LYS A 94 13.396 -2.474 -7.466 1.00 0.00 C ATOM 1525 CG LYS A 94 13.100 -2.926 -6.035 1.00 0.00 C ATOM 1526 CD LYS A 94 14.386 -3.442 -5.384 1.00 0.00 C ATOM 1527 CE LYS A 94 14.814 -2.485 -4.268 1.00 0.00 C ATOM 1528 NZ LYS A 94 14.930 -1.103 -4.815 1.00 0.00 N ATOM 0 H LYS A 94 13.209 -4.955 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 94 11.474 -2.912 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.446 -2.645 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.218 -1.403 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.695 -2.095 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.343 -3.710 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.225 -4.441 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.176 -3.524 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.086 -2.507 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.768 -2.803 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.702 -0.602 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.132 -1.149 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.037 -0.593 -4.662 1.00 0.00 H new