USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 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 13 MET CE :methyl 158:sc= -1.47 (180deg=-3.23!) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -149:sc= 0.334 (180deg=0.0798) USER MOD Set 2.1: A 1 MET CE :methyl -174:sc= -0.133 (180deg=-0.313) USER MOD Set 2.2: A 43 ASN : amide:sc= -3.9! C(o=-4!,f=-7.9!) USER MOD Single : A 0 SER N :NH3+ 166:sc= 0.00157 (180deg=0) USER MOD Single : A 0 SER OG : rot 146:sc= 1.16 USER MOD Single : A 2 ASN :FLIP amide:sc= -0.529 F(o=-1.2,f=-0.53) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.06! C(o=-2.1!,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 33 MET CE :methyl -134:sc= 0 (180deg=-0.778) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.03) USER MOD Single : A 37 GLN : amide:sc= -1.03 K(o=-1,f=-4.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.046) USER MOD Single : A 40 SER OG : rot 27:sc= 0.223 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.83 K(o=0.83,f=-7.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -2.965 -11.471 0.663 1.00 0.00 N ATOM 2 CA SER A 0 -2.287 -10.233 0.355 1.00 0.00 C ATOM 3 C SER A 0 -3.043 -9.545 -0.749 1.00 0.00 C ATOM 4 O SER A 0 -3.382 -10.172 -1.761 1.00 0.00 O ATOM 5 CB SER A 0 -0.855 -10.513 -0.099 1.00 0.00 C ATOM 6 OG SER A 0 0.019 -9.434 0.206 1.00 0.00 O ATOM 0 H1 SER A 0 -2.345 -12.071 1.244 1.00 0.00 H new ATOM 0 H2 SER A 0 -3.840 -11.267 1.187 1.00 0.00 H new ATOM 0 H3 SER A 0 -3.199 -11.968 -0.220 1.00 0.00 H new ATOM 0 HA SER A 0 -2.249 -9.601 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.492 -11.421 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.844 -10.696 -1.173 1.00 0.00 H new ATOM 0 HG SER A 0 0.907 -9.785 0.427 1.00 0.00 H new ATOM 14 N MET A 1 -3.359 -8.290 -0.555 1.00 0.00 N ATOM 15 CA MET A 1 -4.037 -7.521 -1.564 1.00 0.00 C ATOM 16 C MET A 1 -3.112 -6.418 -2.006 1.00 0.00 C ATOM 17 O MET A 1 -2.256 -5.980 -1.233 1.00 0.00 O ATOM 18 CB MET A 1 -5.344 -6.918 -1.025 1.00 0.00 C ATOM 19 CG MET A 1 -6.068 -7.802 -0.017 1.00 0.00 C ATOM 20 SD MET A 1 -7.672 -7.151 0.503 1.00 0.00 S ATOM 21 CE MET A 1 -7.204 -5.584 1.254 1.00 0.00 C ATOM 0 H MET A 1 -3.155 -7.776 0.302 1.00 0.00 H new ATOM 0 HA MET A 1 -4.296 -8.171 -2.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.123 -5.958 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.012 -6.718 -1.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.211 -8.791 -0.452 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.435 -7.929 0.862 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.080 -5.125 1.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.444 -5.758 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.804 -4.919 0.489 1.00 0.00 H new ATOM 31 N ASN A 2 -3.238 -6.028 -3.231 1.00 0.00 N ATOM 32 CA ASN A 2 -2.454 -4.947 -3.794 1.00 0.00 C ATOM 33 C ASN A 2 -3.211 -3.646 -3.673 1.00 0.00 C ATOM 34 O ASN A 2 -4.444 -3.617 -3.797 1.00 0.00 O ATOM 35 CB ASN A 2 -2.120 -5.204 -5.270 1.00 0.00 C ATOM 36 CG ASN A 2 -1.072 -6.279 -5.478 1.00 0.00 C ATOM 37 OD1 ASN A 2 0.158 -5.883 -5.592 1.00 0.00 O flip ATOM 38 ND2 ASN A 2 -1.387 -7.474 -5.556 1.00 0.00 N flip ATOM 0 H ASN A 2 -3.894 -6.449 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.520 -4.888 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.031 -5.490 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.770 -4.276 -5.721 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.364 -7.751 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.669 -8.181 -5.714 1.00 0.00 H new ATOM 45 N ARG A 3 -2.490 -2.593 -3.436 1.00 0.00 N ATOM 46 CA ARG A 3 -3.053 -1.271 -3.309 1.00 0.00 C ATOM 47 C ARG A 3 -2.248 -0.335 -4.189 1.00 0.00 C ATOM 48 O ARG A 3 -1.096 -0.651 -4.543 1.00 0.00 O ATOM 49 CB ARG A 3 -2.995 -0.808 -1.850 1.00 0.00 C ATOM 50 CG ARG A 3 -4.165 0.060 -1.411 1.00 0.00 C ATOM 51 CD ARG A 3 -5.432 -0.765 -1.366 1.00 0.00 C ATOM 52 NE ARG A 3 -6.567 -0.073 -0.739 1.00 0.00 N ATOM 53 CZ ARG A 3 -7.705 -0.691 -0.368 1.00 0.00 C ATOM 54 NH1 ARG A 3 -7.884 -1.990 -0.629 1.00 0.00 N ATOM 55 NH2 ARG A 3 -8.664 -0.017 0.237 1.00 0.00 N ATOM 0 H ARG A 3 -1.477 -2.622 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.098 -1.274 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.950 -1.686 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.070 -0.252 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.964 0.486 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.289 0.894 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.707 -1.048 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.235 -1.688 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.489 0.931 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.157 -2.518 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.748 -2.453 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.546 0.978 0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.523 -0.491 0.515 1.00 0.00 H new ATOM 69 N LEU A 4 -2.828 0.781 -4.543 1.00 0.00 N ATOM 70 CA LEU A 4 -2.196 1.741 -5.419 1.00 0.00 C ATOM 71 C LEU A 4 -2.043 3.067 -4.708 1.00 0.00 C ATOM 72 O LEU A 4 -3.010 3.587 -4.133 1.00 0.00 O ATOM 73 CB LEU A 4 -3.042 1.937 -6.678 1.00 0.00 C ATOM 74 CG LEU A 4 -3.213 0.719 -7.590 1.00 0.00 C ATOM 75 CD1 LEU A 4 -4.185 1.030 -8.706 1.00 0.00 C ATOM 76 CD2 LEU A 4 -1.878 0.285 -8.168 1.00 0.00 C ATOM 0 H LEU A 4 -3.760 1.055 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.212 1.364 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.032 2.275 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.598 2.741 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.612 -0.100 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.296 0.155 -9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.153 1.295 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.807 1.865 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.025 -0.582 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.451 1.102 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.198 0.023 -7.357 1.00 0.00 H new ATOM 88 N GLY A 5 -0.857 3.610 -4.731 1.00 0.00 N ATOM 89 CA GLY A 5 -0.634 4.869 -4.089 1.00 0.00 C ATOM 90 C GLY A 5 0.474 5.635 -4.720 1.00 0.00 C ATOM 91 O GLY A 5 1.352 5.056 -5.341 1.00 0.00 O ATOM 0 H GLY A 5 -0.039 3.203 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.549 5.460 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.404 4.702 -3.037 1.00 0.00 H new ATOM 95 N ILE A 6 0.447 6.915 -4.538 1.00 0.00 N ATOM 96 CA ILE A 6 1.418 7.811 -5.111 1.00 0.00 C ATOM 97 C ILE A 6 2.508 8.041 -4.106 1.00 0.00 C ATOM 98 O ILE A 6 2.218 8.336 -2.945 1.00 0.00 O ATOM 99 CB ILE A 6 0.770 9.182 -5.446 1.00 0.00 C ATOM 100 CG1 ILE A 6 -0.453 9.002 -6.354 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.783 10.126 -6.093 1.00 0.00 C ATOM 102 CD1 ILE A 6 -1.299 10.251 -6.474 1.00 0.00 C ATOM 0 H ILE A 6 -0.263 7.384 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 6 1.810 7.367 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 6 0.439 9.630 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.118 8.701 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.069 8.191 -5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.302 11.078 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.615 10.292 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.156 9.682 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.147 10.054 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.663 10.540 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.698 11.059 -6.890 1.00 0.00 H new ATOM 114 N ILE A 7 3.743 7.855 -4.528 1.00 0.00 N ATOM 115 CA ILE A 7 4.881 8.117 -3.675 1.00 0.00 C ATOM 116 C ILE A 7 4.908 9.594 -3.341 1.00 0.00 C ATOM 117 O ILE A 7 5.229 10.436 -4.179 1.00 0.00 O ATOM 118 CB ILE A 7 6.222 7.698 -4.327 1.00 0.00 C ATOM 119 CG1 ILE A 7 6.198 6.208 -4.710 1.00 0.00 C ATOM 120 CG2 ILE A 7 7.392 7.990 -3.386 1.00 0.00 C ATOM 121 CD1 ILE A 7 6.142 5.261 -3.530 1.00 0.00 C ATOM 0 H ILE A 7 3.983 7.522 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 7 4.770 7.518 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 7 6.357 8.284 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.335 6.023 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.086 5.982 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.325 7.689 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.425 9.057 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.261 7.432 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.128 4.232 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.018 5.413 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.240 5.455 -2.950 1.00 0.00 H new ATOM 133 N TYR A 8 4.526 9.881 -2.143 1.00 0.00 N ATOM 134 CA TYR A 8 4.409 11.210 -1.648 1.00 0.00 C ATOM 135 C TYR A 8 5.746 11.673 -1.105 1.00 0.00 C ATOM 136 O TYR A 8 6.111 12.832 -1.252 1.00 0.00 O ATOM 137 CB TYR A 8 3.352 11.214 -0.547 1.00 0.00 C ATOM 138 CG TYR A 8 2.814 12.568 -0.181 1.00 0.00 C ATOM 139 CD1 TYR A 8 3.264 13.233 0.952 1.00 0.00 C ATOM 140 CD2 TYR A 8 1.838 13.172 -0.956 1.00 0.00 C ATOM 141 CE1 TYR A 8 2.754 14.462 1.299 1.00 0.00 C ATOM 142 CE2 TYR A 8 1.326 14.402 -0.619 1.00 0.00 C ATOM 143 CZ TYR A 8 1.783 15.043 0.508 1.00 0.00 C ATOM 144 OH TYR A 8 1.255 16.267 0.853 1.00 0.00 O ATOM 0 H TYR A 8 4.277 9.169 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 8 4.113 11.892 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.520 10.583 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.779 10.757 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.025 12.779 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.473 12.668 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.110 14.969 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.569 14.863 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 8 0.585 16.533 0.189 1.00 0.00 H new ATOM 154 N GLU A 9 6.473 10.752 -0.498 1.00 0.00 N ATOM 155 CA GLU A 9 7.756 11.055 0.110 1.00 0.00 C ATOM 156 C GLU A 9 8.517 9.743 0.337 1.00 0.00 C ATOM 157 O GLU A 9 7.902 8.669 0.350 1.00 0.00 O ATOM 158 CB GLU A 9 7.535 11.789 1.450 1.00 0.00 C ATOM 159 CG GLU A 9 8.774 12.468 2.007 1.00 0.00 C ATOM 160 CD GLU A 9 8.557 13.019 3.388 1.00 0.00 C ATOM 161 OE1 GLU A 9 8.018 14.139 3.529 1.00 0.00 O ATOM 162 OE2 GLU A 9 8.918 12.356 4.356 1.00 0.00 O ATOM 0 H GLU A 9 6.191 9.775 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 9 8.339 11.702 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.755 12.538 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.166 11.074 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.597 11.753 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.072 13.276 1.340 1.00 0.00 H new ATOM 169 N ILE A 10 9.818 9.826 0.497 1.00 0.00 N ATOM 170 CA ILE A 10 10.672 8.666 0.734 1.00 0.00 C ATOM 171 C ILE A 10 11.369 8.812 2.097 1.00 0.00 C ATOM 172 O ILE A 10 11.759 9.910 2.479 1.00 0.00 O ATOM 173 CB ILE A 10 11.756 8.535 -0.401 1.00 0.00 C ATOM 174 CG1 ILE A 10 11.109 8.214 -1.763 1.00 0.00 C ATOM 175 CG2 ILE A 10 12.840 7.503 -0.061 1.00 0.00 C ATOM 176 CD1 ILE A 10 10.488 6.831 -1.866 1.00 0.00 C ATOM 0 H ILE A 10 10.327 10.709 0.467 1.00 0.00 H new ATOM 0 HA ILE A 10 10.053 7.769 0.730 1.00 0.00 H new ATOM 0 HB ILE A 10 12.245 9.506 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.339 8.958 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.865 8.316 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.562 7.452 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.349 7.799 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.380 6.525 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.059 6.698 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.254 6.075 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.705 6.727 -1.115 1.00 0.00 H new ATOM 188 N GLN A 11 11.458 7.727 2.839 1.00 0.00 N ATOM 189 CA GLN A 11 12.188 7.696 4.096 1.00 0.00 C ATOM 190 C GLN A 11 13.202 6.583 4.028 1.00 0.00 C ATOM 191 O GLN A 11 12.974 5.497 4.562 1.00 0.00 O ATOM 192 CB GLN A 11 11.282 7.460 5.314 1.00 0.00 C ATOM 193 CG GLN A 11 10.518 8.661 5.806 1.00 0.00 C ATOM 194 CD GLN A 11 9.148 8.743 5.202 1.00 0.00 C ATOM 195 OE1 GLN A 11 8.201 8.146 5.703 1.00 0.00 O ATOM 196 NE2 GLN A 11 9.020 9.486 4.156 1.00 0.00 N ATOM 0 H GLN A 11 11.026 6.838 2.589 1.00 0.00 H new ATOM 0 HA GLN A 11 12.657 8.671 4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.567 6.676 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.896 7.084 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.433 8.616 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.074 9.567 5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.832 9.966 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.106 9.593 3.715 1.00 0.00 H new ATOM 205 N GLY A 12 14.284 6.824 3.322 1.00 0.00 N ATOM 206 CA GLY A 12 15.310 5.823 3.168 1.00 0.00 C ATOM 207 C GLY A 12 14.813 4.629 2.385 1.00 0.00 C ATOM 208 O GLY A 12 14.693 4.676 1.144 1.00 0.00 O ATOM 0 H GLY A 12 14.474 7.706 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.170 6.259 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.651 5.497 4.151 1.00 0.00 H new ATOM 212 N MET A 13 14.489 3.573 3.102 1.00 0.00 N ATOM 213 CA MET A 13 13.982 2.365 2.499 1.00 0.00 C ATOM 214 C MET A 13 12.482 2.248 2.683 1.00 0.00 C ATOM 215 O MET A 13 11.880 1.226 2.346 1.00 0.00 O ATOM 216 CB MET A 13 14.698 1.123 3.023 1.00 0.00 C ATOM 217 CG MET A 13 16.043 0.849 2.358 1.00 0.00 C ATOM 218 SD MET A 13 15.927 -0.140 0.827 1.00 0.00 S ATOM 219 CE MET A 13 15.280 1.052 -0.351 1.00 0.00 C ATOM 0 H MET A 13 14.571 3.531 4.118 1.00 0.00 H new ATOM 0 HA MET A 13 14.187 2.429 1.430 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.852 1.232 4.097 1.00 0.00 H new ATOM 0 HB3 MET A 13 14.052 0.257 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 13 16.524 1.800 2.128 1.00 0.00 H new ATOM 0 HG3 MET A 13 16.688 0.329 3.066 1.00 0.00 H new ATOM 0 HE1 MET A 13 15.521 0.730 -1.364 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.198 1.122 -0.240 1.00 0.00 H new ATOM 0 HE3 MET A 13 15.728 2.028 -0.164 1.00 0.00 H new ATOM 229 N LYS A 14 11.880 3.277 3.215 1.00 0.00 N ATOM 230 CA LYS A 14 10.443 3.337 3.346 1.00 0.00 C ATOM 231 C LYS A 14 9.917 4.368 2.374 1.00 0.00 C ATOM 232 O LYS A 14 10.663 5.250 1.932 1.00 0.00 O ATOM 233 CB LYS A 14 10.025 3.759 4.746 1.00 0.00 C ATOM 234 CG LYS A 14 10.513 2.892 5.884 1.00 0.00 C ATOM 235 CD LYS A 14 9.966 3.443 7.181 1.00 0.00 C ATOM 236 CE LYS A 14 10.587 2.807 8.399 1.00 0.00 C ATOM 237 NZ LYS A 14 10.149 3.491 9.637 1.00 0.00 N ATOM 0 H LYS A 14 12.368 4.099 3.571 1.00 0.00 H new ATOM 0 HA LYS A 14 10.041 2.344 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.378 4.776 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.936 3.790 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.185 1.862 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.603 2.879 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.136 4.519 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.887 3.290 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.311 1.754 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.673 2.849 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.590 3.034 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.434 4.490 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.114 3.429 9.720 1.00 0.00 H new ATOM 251 N ALA A 15 8.671 4.265 2.034 1.00 0.00 N ATOM 252 CA ALA A 15 8.036 5.220 1.171 1.00 0.00 C ATOM 253 C ALA A 15 6.666 5.568 1.704 1.00 0.00 C ATOM 254 O ALA A 15 6.001 4.728 2.300 1.00 0.00 O ATOM 255 CB ALA A 15 7.922 4.671 -0.241 1.00 0.00 C ATOM 0 H ALA A 15 8.058 3.512 2.348 1.00 0.00 H new ATOM 0 HA ALA A 15 8.647 6.122 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.438 5.409 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.917 4.453 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.329 3.757 -0.229 1.00 0.00 H new ATOM 261 N VAL A 16 6.269 6.800 1.518 1.00 0.00 N ATOM 262 CA VAL A 16 4.949 7.261 1.890 1.00 0.00 C ATOM 263 C VAL A 16 4.098 7.233 0.652 1.00 0.00 C ATOM 264 O VAL A 16 4.441 7.876 -0.342 1.00 0.00 O ATOM 265 CB VAL A 16 4.959 8.724 2.432 1.00 0.00 C ATOM 266 CG1 VAL A 16 3.542 9.221 2.711 1.00 0.00 C ATOM 267 CG2 VAL A 16 5.777 8.825 3.682 1.00 0.00 C ATOM 0 H VAL A 16 6.856 7.522 1.100 1.00 0.00 H new ATOM 0 HA VAL A 16 4.569 6.614 2.681 1.00 0.00 H new ATOM 0 HB VAL A 16 5.406 9.351 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.582 10.243 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.960 9.196 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.071 8.579 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.768 9.854 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.356 8.171 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.803 8.523 3.471 1.00 0.00 H new ATOM 277 N VAL A 17 3.044 6.496 0.682 1.00 0.00 N ATOM 278 CA VAL A 17 2.150 6.445 -0.435 1.00 0.00 C ATOM 279 C VAL A 17 0.835 7.075 -0.097 1.00 0.00 C ATOM 280 O VAL A 17 0.243 6.788 0.941 1.00 0.00 O ATOM 281 CB VAL A 17 1.892 5.014 -0.958 1.00 0.00 C ATOM 282 CG1 VAL A 17 3.052 4.541 -1.795 1.00 0.00 C ATOM 283 CG2 VAL A 17 1.623 4.051 0.185 1.00 0.00 C ATOM 0 H VAL A 17 2.773 5.912 1.473 1.00 0.00 H new ATOM 0 HA VAL A 17 2.650 7.002 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 17 1.001 5.040 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.853 3.532 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.184 5.210 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.959 4.539 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.445 3.053 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.485 4.027 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.745 4.381 0.740 1.00 0.00 H new ATOM 293 N LEU A 18 0.417 7.949 -0.936 1.00 0.00 N ATOM 294 CA LEU A 18 -0.876 8.524 -0.857 1.00 0.00 C ATOM 295 C LEU A 18 -1.741 7.709 -1.787 1.00 0.00 C ATOM 296 O LEU A 18 -1.613 7.819 -3.008 1.00 0.00 O ATOM 297 CB LEU A 18 -0.819 9.993 -1.296 1.00 0.00 C ATOM 298 CG LEU A 18 -2.158 10.732 -1.413 1.00 0.00 C ATOM 299 CD1 LEU A 18 -2.860 10.802 -0.072 1.00 0.00 C ATOM 300 CD2 LEU A 18 -1.945 12.125 -1.978 1.00 0.00 C ATOM 0 H LEU A 18 0.977 8.293 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.274 8.512 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.192 10.535 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.320 10.039 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.796 10.173 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.806 11.331 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.049 9.792 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.230 11.333 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.904 12.637 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.285 12.688 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.493 12.051 -2.967 1.00 0.00 H new ATOM 312 N THR A 19 -2.553 6.844 -1.228 1.00 0.00 N ATOM 313 CA THR A 19 -3.354 5.942 -2.026 1.00 0.00 C ATOM 314 C THR A 19 -4.397 6.678 -2.841 1.00 0.00 C ATOM 315 O THR A 19 -4.638 7.885 -2.636 1.00 0.00 O ATOM 316 CB THR A 19 -4.050 4.866 -1.165 1.00 0.00 C ATOM 317 OG1 THR A 19 -4.870 5.479 -0.158 1.00 0.00 O ATOM 318 CG2 THR A 19 -3.026 3.957 -0.515 1.00 0.00 C ATOM 0 H THR A 19 -2.678 6.744 -0.221 1.00 0.00 H new ATOM 0 HA THR A 19 -2.657 5.451 -2.706 1.00 0.00 H new ATOM 0 HB THR A 19 -4.684 4.267 -1.819 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.305 4.783 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.537 3.206 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.436 3.463 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.368 4.547 0.123 1.00 0.00 H new ATOM 326 N SER A 20 -5.043 5.954 -3.728 1.00 0.00 N ATOM 327 CA SER A 20 -6.111 6.481 -4.545 1.00 0.00 C ATOM 328 C SER A 20 -7.302 6.876 -3.660 1.00 0.00 C ATOM 329 O SER A 20 -8.186 7.611 -4.068 1.00 0.00 O ATOM 330 CB SER A 20 -6.521 5.398 -5.526 1.00 0.00 C ATOM 331 OG SER A 20 -6.666 4.156 -4.835 1.00 0.00 O ATOM 0 H SER A 20 -4.838 4.970 -3.904 1.00 0.00 H new ATOM 0 HA SER A 20 -5.779 7.370 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.459 5.668 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.772 5.303 -6.312 1.00 0.00 H new ATOM 0 HG SER A 20 -6.932 3.458 -5.469 1.00 0.00 H new ATOM 337 N GLU A 21 -7.287 6.368 -2.436 1.00 0.00 N ATOM 338 CA GLU A 21 -8.310 6.621 -1.449 1.00 0.00 C ATOM 339 C GLU A 21 -7.981 7.885 -0.661 1.00 0.00 C ATOM 340 O GLU A 21 -8.803 8.375 0.116 1.00 0.00 O ATOM 341 CB GLU A 21 -8.368 5.455 -0.483 1.00 0.00 C ATOM 342 CG GLU A 21 -8.264 4.098 -1.129 1.00 0.00 C ATOM 343 CD GLU A 21 -7.866 3.059 -0.136 1.00 0.00 C ATOM 344 OE1 GLU A 21 -8.735 2.593 0.630 1.00 0.00 O ATOM 345 OE2 GLU A 21 -6.691 2.685 -0.093 1.00 0.00 O ATOM 0 H GLU A 21 -6.544 5.755 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.266 6.746 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.561 5.560 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.304 5.507 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.221 3.830 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.533 4.132 -1.937 1.00 0.00 H new ATOM 352 N GLY A 22 -6.780 8.390 -0.842 1.00 0.00 N ATOM 353 CA GLY A 22 -6.362 9.569 -0.130 1.00 0.00 C ATOM 354 C GLY A 22 -5.805 9.248 1.243 1.00 0.00 C ATOM 355 O GLY A 22 -5.854 10.077 2.140 1.00 0.00 O ATOM 0 H GLY A 22 -6.081 8.001 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.604 10.093 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.209 10.247 -0.026 1.00 0.00 H new ATOM 359 N GLU A 23 -5.282 8.059 1.408 1.00 0.00 N ATOM 360 CA GLU A 23 -4.718 7.653 2.678 1.00 0.00 C ATOM 361 C GLU A 23 -3.206 7.638 2.550 1.00 0.00 C ATOM 362 O GLU A 23 -2.688 7.295 1.490 1.00 0.00 O ATOM 363 CB GLU A 23 -5.206 6.249 3.039 1.00 0.00 C ATOM 364 CG GLU A 23 -6.705 6.060 2.957 1.00 0.00 C ATOM 365 CD GLU A 23 -7.440 6.810 4.022 1.00 0.00 C ATOM 366 OE1 GLU A 23 -7.906 7.930 3.767 1.00 0.00 O ATOM 367 OE2 GLU A 23 -7.602 6.276 5.132 1.00 0.00 O ATOM 0 H GLU A 23 -5.233 7.349 0.677 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.027 8.349 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.726 5.530 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.879 6.015 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.056 6.389 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.938 4.998 3.039 1.00 0.00 H new ATOM 374 N PHE A 24 -2.507 8.006 3.592 1.00 0.00 N ATOM 375 CA PHE A 24 -1.056 7.979 3.562 1.00 0.00 C ATOM 376 C PHE A 24 -0.582 6.753 4.295 1.00 0.00 C ATOM 377 O PHE A 24 -0.774 6.622 5.511 1.00 0.00 O ATOM 378 CB PHE A 24 -0.417 9.224 4.207 1.00 0.00 C ATOM 379 CG PHE A 24 -0.752 10.543 3.571 1.00 0.00 C ATOM 380 CD1 PHE A 24 0.084 11.099 2.620 1.00 0.00 C ATOM 381 CD2 PHE A 24 -1.889 11.238 3.942 1.00 0.00 C ATOM 382 CE1 PHE A 24 -0.208 12.321 2.056 1.00 0.00 C ATOM 383 CE2 PHE A 24 -2.186 12.459 3.378 1.00 0.00 C ATOM 384 CZ PHE A 24 -1.346 13.002 2.434 1.00 0.00 C ATOM 0 H PHE A 24 -2.911 8.328 4.472 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.751 7.965 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.719 9.261 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.666 9.101 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.975 10.569 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.552 10.818 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.455 12.746 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.078 12.990 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.577 13.959 1.990 1.00 0.00 H new ATOM 394 N LEU A 25 -0.001 5.856 3.576 1.00 0.00 N ATOM 395 CA LEU A 25 0.509 4.650 4.156 1.00 0.00 C ATOM 396 C LEU A 25 2.002 4.607 3.972 1.00 0.00 C ATOM 397 O LEU A 25 2.526 5.146 3.001 1.00 0.00 O ATOM 398 CB LEU A 25 -0.150 3.390 3.542 1.00 0.00 C ATOM 399 CG LEU A 25 -1.615 3.102 3.950 1.00 0.00 C ATOM 400 CD1 LEU A 25 -2.583 4.001 3.220 1.00 0.00 C ATOM 401 CD2 LEU A 25 -1.967 1.658 3.691 1.00 0.00 C ATOM 0 H LEU A 25 0.137 5.932 2.568 1.00 0.00 H new ATOM 0 HA LEU A 25 0.267 4.650 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.111 3.480 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.455 2.524 3.812 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.698 3.306 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.601 3.769 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.360 5.042 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.488 3.842 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.001 1.477 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.848 1.439 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.307 1.013 4.271 1.00 0.00 H new ATOM 413 N ILE A 26 2.678 4.029 4.902 1.00 0.00 N ATOM 414 CA ILE A 26 4.096 3.871 4.813 1.00 0.00 C ATOM 415 C ILE A 26 4.337 2.468 4.320 1.00 0.00 C ATOM 416 O ILE A 26 3.780 1.523 4.866 1.00 0.00 O ATOM 417 CB ILE A 26 4.787 4.053 6.197 1.00 0.00 C ATOM 418 CG1 ILE A 26 4.245 5.294 6.945 1.00 0.00 C ATOM 419 CG2 ILE A 26 6.303 4.139 6.036 1.00 0.00 C ATOM 420 CD1 ILE A 26 4.416 6.609 6.209 1.00 0.00 C ATOM 0 H ILE A 26 2.265 3.648 5.753 1.00 0.00 H new ATOM 0 HA ILE A 26 4.512 4.625 4.145 1.00 0.00 H new ATOM 0 HB ILE A 26 4.552 3.176 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.185 5.143 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.747 5.366 7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.766 4.266 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.673 3.223 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.554 4.990 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.006 7.419 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.476 6.790 6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.889 6.564 5.256 1.00 0.00 H new ATOM 432 N ILE A 27 5.093 2.325 3.288 1.00 0.00 N ATOM 433 CA ILE A 27 5.349 1.025 2.720 1.00 0.00 C ATOM 434 C ILE A 27 6.829 0.798 2.536 1.00 0.00 C ATOM 435 O ILE A 27 7.642 1.724 2.700 1.00 0.00 O ATOM 436 CB ILE A 27 4.662 0.843 1.334 1.00 0.00 C ATOM 437 CG1 ILE A 27 5.160 1.910 0.347 1.00 0.00 C ATOM 438 CG2 ILE A 27 3.145 0.886 1.465 1.00 0.00 C ATOM 439 CD1 ILE A 27 4.962 1.550 -1.104 1.00 0.00 C ATOM 0 H ILE A 27 5.555 3.096 2.807 1.00 0.00 H new ATOM 0 HA ILE A 27 4.936 0.302 3.424 1.00 0.00 H new ATOM 0 HB ILE A 27 4.932 -0.139 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.643 2.847 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.221 2.086 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.691 0.756 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.814 0.085 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.843 1.847 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.340 2.356 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.503 0.630 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.900 1.403 -1.301 1.00 0.00 H new ATOM 451 N ARG A 28 7.174 -0.437 2.251 1.00 0.00 N ATOM 452 CA ARG A 28 8.519 -0.802 1.866 1.00 0.00 C ATOM 453 C ARG A 28 8.824 -0.130 0.537 1.00 0.00 C ATOM 454 O ARG A 28 8.061 -0.273 -0.428 1.00 0.00 O ATOM 455 CB ARG A 28 8.655 -2.310 1.637 1.00 0.00 C ATOM 456 CG ARG A 28 8.202 -3.229 2.759 1.00 0.00 C ATOM 457 CD ARG A 28 8.422 -4.667 2.323 1.00 0.00 C ATOM 458 NE ARG A 28 7.840 -5.672 3.222 1.00 0.00 N ATOM 459 CZ ARG A 28 7.255 -6.811 2.798 1.00 0.00 C ATOM 460 NH1 ARG A 28 6.881 -6.943 1.519 1.00 0.00 N ATOM 461 NH2 ARG A 28 6.977 -7.779 3.664 1.00 0.00 N ATOM 0 H ARG A 28 6.524 -1.223 2.280 1.00 0.00 H new ATOM 0 HA ARG A 28 9.195 -0.496 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.090 -2.567 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.702 -2.526 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.763 -3.019 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.150 -3.059 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.999 -4.800 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.494 -4.849 2.241 1.00 0.00 H new ATOM 0 HE ARG A 28 7.881 -5.498 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.038 -6.180 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.439 -7.806 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.206 -7.662 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.535 -8.640 3.342 1.00 0.00 H new ATOM 475 N ARG A 29 9.890 0.596 0.475 1.00 0.00 N ATOM 476 CA ARG A 29 10.277 1.204 -0.761 1.00 0.00 C ATOM 477 C ARG A 29 11.077 0.200 -1.556 1.00 0.00 C ATOM 478 O ARG A 29 11.995 -0.428 -1.030 1.00 0.00 O ATOM 479 CB ARG A 29 11.108 2.457 -0.530 1.00 0.00 C ATOM 480 CG ARG A 29 11.632 3.093 -1.804 1.00 0.00 C ATOM 481 CD ARG A 29 12.917 3.824 -1.543 1.00 0.00 C ATOM 482 NE ARG A 29 13.492 4.405 -2.759 1.00 0.00 N ATOM 483 CZ ARG A 29 14.582 5.189 -2.780 1.00 0.00 C ATOM 484 NH1 ARG A 29 15.213 5.496 -1.638 1.00 0.00 N ATOM 485 NH2 ARG A 29 15.038 5.663 -3.937 1.00 0.00 N ATOM 0 H ARG A 29 10.510 0.785 1.262 1.00 0.00 H new ATOM 0 HA ARG A 29 9.380 1.500 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.503 3.188 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.952 2.208 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.792 2.325 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.890 3.784 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.739 4.616 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.637 3.138 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 29 13.035 4.201 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.865 5.134 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.041 6.092 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.560 5.431 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.866 6.259 -3.953 1.00 0.00 H new ATOM 499 N ARG A 30 10.717 0.030 -2.785 1.00 0.00 N ATOM 500 CA ARG A 30 11.425 -0.860 -3.660 1.00 0.00 C ATOM 501 C ARG A 30 12.379 -0.021 -4.497 1.00 0.00 C ATOM 502 O ARG A 30 12.250 1.211 -4.529 1.00 0.00 O ATOM 503 CB ARG A 30 10.444 -1.640 -4.540 1.00 0.00 C ATOM 504 CG ARG A 30 9.380 -2.406 -3.753 1.00 0.00 C ATOM 505 CD ARG A 30 8.355 -3.046 -4.675 1.00 0.00 C ATOM 506 NE ARG A 30 7.247 -3.677 -3.931 1.00 0.00 N ATOM 507 CZ ARG A 30 6.047 -3.990 -4.456 1.00 0.00 C ATOM 508 NH1 ARG A 30 5.795 -3.747 -5.733 1.00 0.00 N ATOM 509 NH2 ARG A 30 5.114 -4.534 -3.705 1.00 0.00 N ATOM 0 H ARG A 30 9.923 0.503 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 30 11.989 -1.597 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.950 -0.946 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.004 -2.344 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.858 -3.177 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.877 -1.727 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.953 -2.289 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.846 -3.796 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 30 7.402 -3.892 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.511 -3.322 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.885 -3.985 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.297 -4.721 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.207 -4.769 -4.108 1.00 0.00 H new ATOM 523 N LYS A 31 13.294 -0.656 -5.194 1.00 0.00 N ATOM 524 CA LYS A 31 14.343 0.063 -5.938 1.00 0.00 C ATOM 525 C LYS A 31 13.786 0.818 -7.156 1.00 0.00 C ATOM 526 O LYS A 31 14.461 1.659 -7.738 1.00 0.00 O ATOM 527 CB LYS A 31 15.464 -0.898 -6.379 1.00 0.00 C ATOM 528 CG LYS A 31 15.996 -1.827 -5.281 1.00 0.00 C ATOM 529 CD LYS A 31 16.655 -1.076 -4.130 1.00 0.00 C ATOM 530 CE LYS A 31 17.069 -2.042 -3.026 1.00 0.00 C ATOM 531 NZ LYS A 31 17.766 -1.365 -1.903 1.00 0.00 N ATOM 0 H LYS A 31 13.346 -1.672 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 31 14.757 0.804 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.094 -1.509 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.294 -0.308 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.174 -2.428 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.718 -2.518 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.529 -0.536 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.964 -0.333 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.184 -2.552 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.722 -2.807 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.454 -2.018 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.262 -0.523 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.070 -1.079 -1.185 1.00 0.00 H new ATOM 545 N ASP A 32 12.556 0.531 -7.517 1.00 0.00 N ATOM 546 CA ASP A 32 11.920 1.179 -8.665 1.00 0.00 C ATOM 547 C ASP A 32 11.009 2.346 -8.215 1.00 0.00 C ATOM 548 O ASP A 32 10.370 3.012 -9.033 1.00 0.00 O ATOM 549 CB ASP A 32 11.130 0.130 -9.477 1.00 0.00 C ATOM 550 CG ASP A 32 10.552 0.645 -10.781 1.00 0.00 C ATOM 551 OD1 ASP A 32 9.324 0.528 -10.986 1.00 0.00 O ATOM 552 OD2 ASP A 32 11.302 1.176 -11.621 1.00 0.00 O ATOM 0 H ASP A 32 11.966 -0.148 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 32 12.694 1.606 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.787 -0.712 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.316 -0.251 -8.860 1.00 0.00 H new ATOM 557 N MET A 33 10.990 2.620 -6.919 1.00 0.00 N ATOM 558 CA MET A 33 10.128 3.677 -6.361 1.00 0.00 C ATOM 559 C MET A 33 10.700 5.071 -6.568 1.00 0.00 C ATOM 560 O MET A 33 11.761 5.397 -6.038 1.00 0.00 O ATOM 561 CB MET A 33 9.890 3.471 -4.862 1.00 0.00 C ATOM 562 CG MET A 33 8.575 2.801 -4.500 1.00 0.00 C ATOM 563 SD MET A 33 8.506 1.077 -4.993 1.00 0.00 S ATOM 564 CE MET A 33 6.947 0.568 -4.267 1.00 0.00 C ATOM 0 H MET A 33 11.557 2.131 -6.226 1.00 0.00 H new ATOM 0 HA MET A 33 9.186 3.601 -6.904 1.00 0.00 H new ATOM 0 HB2 MET A 33 10.707 2.872 -4.460 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.933 4.441 -4.367 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.422 2.871 -3.423 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.756 3.342 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.078 -0.386 -3.756 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.616 1.321 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.198 0.459 -5.052 1.00 0.00 H new ATOM 574 N LYS A 34 9.990 5.883 -7.336 1.00 0.00 N ATOM 575 CA LYS A 34 10.330 7.276 -7.528 1.00 0.00 C ATOM 576 C LYS A 34 9.192 8.132 -6.985 1.00 0.00 C ATOM 577 O LYS A 34 8.036 7.706 -7.010 1.00 0.00 O ATOM 578 CB LYS A 34 10.557 7.596 -9.011 1.00 0.00 C ATOM 579 CG LYS A 34 11.966 7.297 -9.529 1.00 0.00 C ATOM 580 CD LYS A 34 12.156 5.829 -9.882 1.00 0.00 C ATOM 581 CE LYS A 34 11.417 5.464 -11.161 1.00 0.00 C ATOM 582 NZ LYS A 34 11.449 4.020 -11.421 1.00 0.00 N ATOM 0 H LYS A 34 9.157 5.588 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 34 11.257 7.490 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.840 7.028 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.342 8.652 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.163 7.908 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.696 7.583 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.218 5.617 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.796 5.207 -9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.381 5.797 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.864 5.994 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.949 3.816 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.436 3.703 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.984 3.516 -10.639 1.00 0.00 H new ATOM 596 N VAL A 35 9.507 9.315 -6.513 1.00 0.00 N ATOM 597 CA VAL A 35 8.520 10.215 -5.913 1.00 0.00 C ATOM 598 C VAL A 35 7.583 10.781 -6.988 1.00 0.00 C ATOM 599 O VAL A 35 8.035 11.226 -8.044 1.00 0.00 O ATOM 600 CB VAL A 35 9.213 11.395 -5.161 1.00 0.00 C ATOM 601 CG1 VAL A 35 8.216 12.173 -4.305 1.00 0.00 C ATOM 602 CG2 VAL A 35 10.361 10.893 -4.300 1.00 0.00 C ATOM 0 H VAL A 35 10.455 9.692 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 35 7.941 9.633 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 35 9.613 12.070 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.731 12.987 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.432 12.582 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.772 11.506 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.826 11.735 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.981 10.185 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.100 10.399 -4.931 1.00 0.00 H new ATOM 612 N GLY A 36 6.294 10.746 -6.733 1.00 0.00 N ATOM 613 CA GLY A 36 5.334 11.299 -7.664 1.00 0.00 C ATOM 614 C GLY A 36 4.566 10.255 -8.435 1.00 0.00 C ATOM 615 O GLY A 36 3.481 10.532 -8.943 1.00 0.00 O ATOM 0 H GLY A 36 5.886 10.341 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.629 11.925 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.856 11.947 -8.368 1.00 0.00 H new ATOM 619 N GLN A 37 5.100 9.060 -8.519 1.00 0.00 N ATOM 620 CA GLN A 37 4.447 8.020 -9.291 1.00 0.00 C ATOM 621 C GLN A 37 3.530 7.158 -8.424 1.00 0.00 C ATOM 622 O GLN A 37 3.791 6.958 -7.225 1.00 0.00 O ATOM 623 CB GLN A 37 5.479 7.152 -10.033 1.00 0.00 C ATOM 624 CG GLN A 37 6.262 6.197 -9.149 1.00 0.00 C ATOM 625 CD GLN A 37 7.424 5.550 -9.859 1.00 0.00 C ATOM 626 OE1 GLN A 37 8.025 6.133 -10.758 1.00 0.00 O ATOM 627 NE2 GLN A 37 7.749 4.349 -9.471 1.00 0.00 N ATOM 0 H GLN A 37 5.973 8.782 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 37 3.821 8.514 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.963 6.574 -10.800 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.182 7.808 -10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.632 6.738 -8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.592 5.421 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.227 3.897 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.526 3.862 -9.917 1.00 0.00 H new ATOM 636 N GLN A 38 2.447 6.701 -9.017 1.00 0.00 N ATOM 637 CA GLN A 38 1.548 5.770 -8.377 1.00 0.00 C ATOM 638 C GLN A 38 2.123 4.371 -8.526 1.00 0.00 C ATOM 639 O GLN A 38 2.330 3.896 -9.641 1.00 0.00 O ATOM 640 CB GLN A 38 0.144 5.843 -9.001 1.00 0.00 C ATOM 641 CG GLN A 38 -0.871 4.909 -8.346 1.00 0.00 C ATOM 642 CD GLN A 38 -2.162 4.796 -9.132 1.00 0.00 C ATOM 643 OE1 GLN A 38 -2.286 3.954 -10.023 1.00 0.00 O ATOM 644 NE2 GLN A 38 -3.134 5.617 -8.810 1.00 0.00 N ATOM 0 H GLN A 38 2.166 6.967 -9.961 1.00 0.00 H new ATOM 0 HA GLN A 38 1.450 6.024 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.221 6.868 -8.932 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.215 5.601 -10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.429 3.918 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.093 5.269 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.998 6.302 -8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.026 5.570 -9.303 1.00 0.00 H new ATOM 653 N VAL A 39 2.398 3.743 -7.430 1.00 0.00 N ATOM 654 CA VAL A 39 2.979 2.423 -7.414 1.00 0.00 C ATOM 655 C VAL A 39 1.968 1.418 -6.897 1.00 0.00 C ATOM 656 O VAL A 39 0.957 1.799 -6.276 1.00 0.00 O ATOM 657 CB VAL A 39 4.242 2.357 -6.510 1.00 0.00 C ATOM 658 CG1 VAL A 39 5.349 3.244 -7.046 1.00 0.00 C ATOM 659 CG2 VAL A 39 3.902 2.742 -5.073 1.00 0.00 C ATOM 0 H VAL A 39 2.226 4.131 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 39 3.268 2.187 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 39 4.599 1.327 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.218 3.176 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.623 2.918 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.002 4.277 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.801 2.688 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.508 3.758 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.153 2.055 -4.680 1.00 0.00 H new ATOM 669 N SER A 40 2.226 0.169 -7.158 1.00 0.00 N ATOM 670 CA SER A 40 1.423 -0.891 -6.664 1.00 0.00 C ATOM 671 C SER A 40 2.209 -1.598 -5.587 1.00 0.00 C ATOM 672 O SER A 40 3.367 -1.970 -5.803 1.00 0.00 O ATOM 673 CB SER A 40 1.069 -1.862 -7.803 1.00 0.00 C ATOM 674 OG SER A 40 2.244 -2.329 -8.463 1.00 0.00 O ATOM 0 H SER A 40 3.014 -0.137 -7.729 1.00 0.00 H new ATOM 0 HA SER A 40 0.489 -0.506 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.512 -2.709 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.418 -1.363 -8.521 1.00 0.00 H new ATOM 0 HG SER A 40 3.001 -2.303 -7.841 1.00 0.00 H new ATOM 680 N PHE A 41 1.624 -1.744 -4.452 1.00 0.00 N ATOM 681 CA PHE A 41 2.260 -2.415 -3.352 1.00 0.00 C ATOM 682 C PHE A 41 1.306 -3.402 -2.786 1.00 0.00 C ATOM 683 O PHE A 41 0.116 -3.381 -3.129 1.00 0.00 O ATOM 684 CB PHE A 41 2.707 -1.422 -2.268 1.00 0.00 C ATOM 685 CG PHE A 41 1.630 -0.464 -1.810 1.00 0.00 C ATOM 686 CD1 PHE A 41 0.846 -0.758 -0.707 1.00 0.00 C ATOM 687 CD2 PHE A 41 1.406 0.726 -2.484 1.00 0.00 C ATOM 688 CE1 PHE A 41 -0.134 0.114 -0.286 1.00 0.00 C ATOM 689 CE2 PHE A 41 0.427 1.597 -2.069 1.00 0.00 C ATOM 690 CZ PHE A 41 -0.344 1.291 -0.967 1.00 0.00 C ATOM 0 H PHE A 41 0.684 -1.403 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 41 3.155 -2.921 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.067 -1.983 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.551 -0.845 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.005 -1.682 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.008 0.972 -3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.737 -0.126 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.262 2.520 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.112 1.975 -0.639 1.00 0.00 H new ATOM 700 N GLU A 42 1.783 -4.247 -1.939 1.00 0.00 N ATOM 701 CA GLU A 42 0.946 -5.231 -1.346 1.00 0.00 C ATOM 702 C GLU A 42 0.734 -4.920 0.118 1.00 0.00 C ATOM 703 O GLU A 42 1.434 -4.086 0.694 1.00 0.00 O ATOM 704 CB GLU A 42 1.507 -6.643 -1.512 1.00 0.00 C ATOM 705 CG GLU A 42 1.578 -7.150 -2.949 1.00 0.00 C ATOM 706 CD GLU A 42 2.795 -6.684 -3.737 1.00 0.00 C ATOM 707 OE1 GLU A 42 2.753 -5.624 -4.408 1.00 0.00 O ATOM 708 OE2 GLU A 42 3.812 -7.396 -3.735 1.00 0.00 O ATOM 0 H GLU A 42 2.758 -4.276 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.012 -5.201 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.509 -6.671 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.893 -7.331 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.569 -8.240 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.679 -6.831 -3.476 1.00 0.00 H new ATOM 715 N ASN A 43 -0.228 -5.596 0.712 1.00 0.00 N ATOM 716 CA ASN A 43 -0.571 -5.427 2.132 1.00 0.00 C ATOM 717 C ASN A 43 0.603 -5.756 3.037 1.00 0.00 C ATOM 718 O ASN A 43 0.757 -5.179 4.112 1.00 0.00 O ATOM 719 CB ASN A 43 -1.788 -6.285 2.508 1.00 0.00 C ATOM 720 CG ASN A 43 -3.106 -5.659 2.147 1.00 0.00 C ATOM 721 OD1 ASN A 43 -4.013 -6.354 1.747 1.00 0.00 O ATOM 722 ND2 ASN A 43 -3.242 -4.379 2.315 1.00 0.00 N ATOM 0 H ASN A 43 -0.805 -6.286 0.230 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.823 -4.377 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.707 -7.252 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.769 -6.476 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.134 -3.929 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.457 -3.823 2.654 1.00 0.00 H new ATOM 729 N GLU A 44 1.438 -6.661 2.581 1.00 0.00 N ATOM 730 CA GLU A 44 2.617 -7.065 3.314 1.00 0.00 C ATOM 731 C GLU A 44 3.676 -5.972 3.297 1.00 0.00 C ATOM 732 O GLU A 44 4.488 -5.877 4.208 1.00 0.00 O ATOM 733 CB GLU A 44 3.172 -8.339 2.719 1.00 0.00 C ATOM 734 CG GLU A 44 2.205 -9.491 2.802 1.00 0.00 C ATOM 735 CD GLU A 44 2.665 -10.692 2.038 1.00 0.00 C ATOM 736 OE1 GLU A 44 3.651 -11.328 2.442 1.00 0.00 O ATOM 737 OE2 GLU A 44 2.025 -11.045 1.039 1.00 0.00 O ATOM 0 H GLU A 44 1.319 -7.140 1.688 1.00 0.00 H new ATOM 0 HA GLU A 44 2.335 -7.241 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.433 -8.164 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.093 -8.606 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.062 -9.764 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.235 -9.173 2.420 1.00 0.00 H new ATOM 744 N ASP A 45 3.644 -5.134 2.270 1.00 0.00 N ATOM 745 CA ASP A 45 4.617 -4.044 2.137 1.00 0.00 C ATOM 746 C ASP A 45 4.252 -2.898 3.027 1.00 0.00 C ATOM 747 O ASP A 45 5.069 -2.012 3.280 1.00 0.00 O ATOM 748 CB ASP A 45 4.703 -3.517 0.705 1.00 0.00 C ATOM 749 CG ASP A 45 5.320 -4.481 -0.248 1.00 0.00 C ATOM 750 OD1 ASP A 45 6.512 -4.791 -0.119 1.00 0.00 O ATOM 751 OD2 ASP A 45 4.627 -4.946 -1.154 1.00 0.00 O ATOM 0 H ASP A 45 2.959 -5.183 1.516 1.00 0.00 H new ATOM 0 HA ASP A 45 5.583 -4.461 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.701 -3.267 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.282 -2.593 0.701 1.00 0.00 H new ATOM 756 N ILE A 46 3.029 -2.904 3.494 1.00 0.00 N ATOM 757 CA ILE A 46 2.523 -1.827 4.294 1.00 0.00 C ATOM 758 C ILE A 46 3.087 -1.869 5.707 1.00 0.00 C ATOM 759 O ILE A 46 2.765 -2.753 6.509 1.00 0.00 O ATOM 760 CB ILE A 46 0.981 -1.809 4.331 1.00 0.00 C ATOM 761 CG1 ILE A 46 0.418 -1.764 2.903 1.00 0.00 C ATOM 762 CG2 ILE A 46 0.500 -0.615 5.127 1.00 0.00 C ATOM 763 CD1 ILE A 46 -1.095 -1.800 2.830 1.00 0.00 C ATOM 0 H ILE A 46 2.360 -3.656 3.329 1.00 0.00 H new ATOM 0 HA ILE A 46 2.855 -0.904 3.819 1.00 0.00 H new ATOM 0 HB ILE A 46 0.625 -2.719 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.773 -0.857 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.818 -2.607 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.590 -0.608 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.884 -0.678 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.859 0.302 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.410 -1.765 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.460 -2.719 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.505 -0.942 3.362 1.00 0.00 H new ATOM 775 N TYR A 47 3.866 -0.867 6.018 1.00 0.00 N ATOM 776 CA TYR A 47 4.528 -0.733 7.300 1.00 0.00 C ATOM 777 C TYR A 47 3.582 -0.159 8.342 1.00 0.00 C ATOM 778 O TYR A 47 3.927 -0.022 9.512 1.00 0.00 O ATOM 779 CB TYR A 47 5.785 0.125 7.170 1.00 0.00 C ATOM 780 CG TYR A 47 7.030 -0.644 6.799 1.00 0.00 C ATOM 781 CD1 TYR A 47 7.319 -1.869 7.386 1.00 0.00 C ATOM 782 CD2 TYR A 47 7.925 -0.137 5.869 1.00 0.00 C ATOM 783 CE1 TYR A 47 8.457 -2.562 7.056 1.00 0.00 C ATOM 784 CE2 TYR A 47 9.069 -0.828 5.533 1.00 0.00 C ATOM 785 CZ TYR A 47 9.329 -2.038 6.131 1.00 0.00 C ATOM 786 OH TYR A 47 10.472 -2.734 5.804 1.00 0.00 O ATOM 0 H TYR A 47 4.066 -0.100 5.376 1.00 0.00 H new ATOM 0 HA TYR A 47 4.829 -1.726 7.633 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.609 0.893 6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.959 0.639 8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.637 -2.283 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.722 0.815 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.666 -3.514 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.756 -0.422 4.805 1.00 0.00 H new ATOM 0 HH TYR A 47 10.982 -2.230 5.135 1.00 0.00 H new ATOM 796 N ASN A 48 2.408 0.218 7.899 1.00 0.00 N ATOM 797 CA ASN A 48 1.353 0.614 8.815 1.00 0.00 C ATOM 798 C ASN A 48 0.846 -0.638 9.496 1.00 0.00 C ATOM 799 O ASN A 48 0.670 -0.678 10.694 1.00 0.00 O ATOM 800 CB ASN A 48 0.184 1.336 8.100 1.00 0.00 C ATOM 801 CG ASN A 48 0.544 2.713 7.564 1.00 0.00 C ATOM 802 OD1 ASN A 48 1.666 2.958 7.165 1.00 0.00 O ATOM 803 ND2 ASN A 48 -0.406 3.609 7.538 1.00 0.00 N ATOM 0 H ASN A 48 2.154 0.261 6.912 1.00 0.00 H new ATOM 0 HA ASN A 48 1.760 1.324 9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.163 0.715 7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.649 1.434 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.216 4.543 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.338 3.374 7.880 1.00 0.00 H new ATOM 810 N VAL A 49 0.693 -1.692 8.709 1.00 0.00 N ATOM 811 CA VAL A 49 0.229 -2.973 9.209 1.00 0.00 C ATOM 812 C VAL A 49 1.405 -3.725 9.821 1.00 0.00 C ATOM 813 O VAL A 49 1.320 -4.274 10.918 1.00 0.00 O ATOM 814 CB VAL A 49 -0.393 -3.835 8.072 1.00 0.00 C ATOM 815 CG1 VAL A 49 -0.925 -5.161 8.606 1.00 0.00 C ATOM 816 CG2 VAL A 49 -1.496 -3.073 7.357 1.00 0.00 C ATOM 0 H VAL A 49 0.887 -1.682 7.708 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.541 -2.790 9.959 1.00 0.00 H new ATOM 0 HB VAL A 49 0.399 -4.053 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.352 -5.738 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.109 -5.724 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.694 -4.970 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.915 -3.696 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.280 -2.814 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.086 -2.162 6.922 1.00 0.00 H new ATOM 826 N ARG A 50 2.509 -3.712 9.124 1.00 0.00 N ATOM 827 CA ARG A 50 3.709 -4.393 9.568 1.00 0.00 C ATOM 828 C ARG A 50 4.621 -3.443 10.343 1.00 0.00 C ATOM 829 O ARG A 50 5.841 -3.443 10.169 1.00 0.00 O ATOM 830 CB ARG A 50 4.437 -5.017 8.369 1.00 0.00 C ATOM 831 CG ARG A 50 3.632 -6.101 7.636 1.00 0.00 C ATOM 832 CD ARG A 50 3.575 -7.421 8.418 1.00 0.00 C ATOM 833 NE ARG A 50 2.815 -7.320 9.686 1.00 0.00 N ATOM 834 CZ ARG A 50 3.260 -7.741 10.888 1.00 0.00 C ATOM 835 NH1 ARG A 50 4.425 -8.390 10.987 1.00 0.00 N ATOM 836 NH2 ARG A 50 2.532 -7.534 11.981 1.00 0.00 N ATOM 0 H ARG A 50 2.608 -3.230 8.230 1.00 0.00 H new ATOM 0 HA ARG A 50 3.424 -5.196 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.690 -4.228 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.376 -5.449 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.618 -5.741 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.078 -6.281 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.120 -8.187 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.591 -7.750 8.637 1.00 0.00 H new ATOM 0 HE ARG A 50 1.886 -6.901 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.982 -8.569 10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.757 -8.706 11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.634 -7.056 11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.872 -7.854 12.888 1.00 0.00 H new ATOM 850 N GLY A 51 4.022 -2.656 11.207 1.00 0.00 N ATOM 851 CA GLY A 51 4.766 -1.719 12.012 1.00 0.00 C ATOM 852 C GLY A 51 3.964 -1.280 13.204 1.00 0.00 C ATOM 853 O GLY A 51 3.938 -0.092 13.556 1.00 0.00 O ATOM 0 H GLY A 51 3.015 -2.648 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.697 -2.178 12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.036 -0.851 11.411 1.00 0.00 H new ATOM 857 N LYS A 52 3.284 -2.219 13.806 1.00 0.00 N ATOM 858 CA LYS A 52 2.480 -1.966 14.972 1.00 0.00 C ATOM 859 C LYS A 52 2.856 -2.968 16.028 1.00 0.00 C ATOM 860 O LYS A 52 3.464 -2.579 17.048 1.00 0.00 O ATOM 861 CB LYS A 52 0.978 -2.045 14.644 1.00 0.00 C ATOM 862 CG LYS A 52 0.455 -0.834 13.889 1.00 0.00 C ATOM 863 CD LYS A 52 -1.009 -0.986 13.499 1.00 0.00 C ATOM 864 CE LYS A 52 -1.502 0.250 12.755 1.00 0.00 C ATOM 865 NZ LYS A 52 -2.903 0.126 12.302 1.00 0.00 N ATOM 866 OXT LYS A 52 2.625 -4.164 15.812 1.00 0.00 O ATOM 0 H LYS A 52 3.272 -3.191 13.498 1.00 0.00 H new ATOM 0 HA LYS A 52 2.669 -0.956 15.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.791 -2.941 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.417 -2.154 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.574 0.056 14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.054 -0.681 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.133 -1.868 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.614 -1.144 14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.411 1.120 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.861 0.429 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.185 0.994 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.989 -0.687 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.523 -0.017 13.125 1.00 0.00 H new TER 880 LYS A 52