USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 5 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Set 1.2: A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -157:sc=-0.00599 (180deg=-0.00951) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 9 SER OG : rot -43:sc= -0.521! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -4.65! K(o=-4.7!,f=-0.95) USER MOD Single : A 18 ASN : amide:sc= -3.64! K(o=-3.6!,f=-2.2) USER MOD Single : A 21 ASN : amide:sc= -6.29! C(o=-6.3!,f=-11!) USER MOD Single : B 24 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.56) USER MOD Single : B 25 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : B 26 HIS : no HD1:sc= -5.3 K(o=-5.3,f=-4.3!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 150:sc= -0.884 USER MOD Single : B 47 TYR OH : rot 180:sc= -1.3 USER MOD Single : B 48 THR OG1 : rot 180:sc= -1.87! USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= -0.0329 (180deg=-0.321) USER MOD Single : B 51 THR OG1 : rot -9:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.317 4.579 2.105 1.00 0.00 N ATOM 2 CA GLY A 1 -8.534 3.622 1.204 1.00 0.00 C ATOM 3 C GLY A 1 -7.088 3.868 0.942 1.00 0.00 C ATOM 4 O GLY A 1 -6.550 4.899 1.293 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.148 4.089 2.493 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.708 4.898 2.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.629 5.402 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.621 2.625 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.040 3.597 0.239 1.00 0.00 H new ATOM 10 N ILE A 2 -6.422 2.931 0.325 1.00 0.00 N ATOM 11 CA ILE A 2 -4.973 3.112 0.037 1.00 0.00 C ATOM 12 C ILE A 2 -4.783 4.266 -0.949 1.00 0.00 C ATOM 13 O ILE A 2 -3.825 5.008 -0.877 1.00 0.00 O ATOM 14 CB ILE A 2 -4.413 1.814 -0.560 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.902 1.969 -0.792 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.110 1.504 -1.890 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.248 0.613 -1.130 1.00 0.00 C ATOM 0 H ILE A 2 -6.820 2.047 0.008 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.441 3.346 0.959 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.594 0.993 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.727 2.673 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.436 2.389 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.706 0.581 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.181 1.388 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.940 2.322 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.179 0.754 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.404 -0.082 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.699 0.207 -2.036 1.00 0.00 H new ATOM 29 N VAL A 3 -5.690 4.417 -1.869 1.00 0.00 N ATOM 30 CA VAL A 3 -5.579 5.511 -2.865 1.00 0.00 C ATOM 31 C VAL A 3 -5.463 6.852 -2.153 1.00 0.00 C ATOM 32 O VAL A 3 -4.742 7.734 -2.572 1.00 0.00 O ATOM 33 CB VAL A 3 -6.841 5.517 -3.720 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.615 6.393 -4.939 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.164 4.092 -4.162 1.00 0.00 C ATOM 0 H VAL A 3 -6.512 3.822 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.695 5.354 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.676 5.910 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.515 6.400 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.386 7.409 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.782 5.999 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.066 4.096 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.333 3.695 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.324 3.466 -3.284 1.00 0.00 H new ATOM 45 N GLU A 4 -6.188 7.017 -1.093 1.00 0.00 N ATOM 46 CA GLU A 4 -6.147 8.313 -0.362 1.00 0.00 C ATOM 47 C GLU A 4 -4.850 8.427 0.445 1.00 0.00 C ATOM 48 O GLU A 4 -4.441 9.505 0.823 1.00 0.00 O ATOM 49 CB GLU A 4 -7.354 8.403 0.576 1.00 0.00 C ATOM 50 CG GLU A 4 -8.593 7.844 -0.133 1.00 0.00 C ATOM 51 CD GLU A 4 -9.855 8.292 0.607 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.990 9.482 0.840 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.665 7.438 0.927 1.00 0.00 O ATOM 0 H GLU A 4 -6.810 6.313 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.181 9.131 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.161 7.842 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.525 9.439 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.622 8.193 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.546 6.756 -0.165 1.00 0.00 H new ATOM 60 N GLN A 5 -4.205 7.329 0.726 1.00 0.00 N ATOM 61 CA GLN A 5 -2.942 7.387 1.523 1.00 0.00 C ATOM 62 C GLN A 5 -1.722 7.509 0.601 1.00 0.00 C ATOM 63 O GLN A 5 -0.752 8.163 0.930 1.00 0.00 O ATOM 64 CB GLN A 5 -2.814 6.107 2.351 1.00 0.00 C ATOM 65 CG GLN A 5 -4.026 5.970 3.274 1.00 0.00 C ATOM 66 CD GLN A 5 -3.889 4.696 4.106 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.754 4.375 4.897 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.830 3.951 3.959 1.00 0.00 N ATOM 0 H GLN A 5 -4.495 6.394 0.440 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.979 8.261 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.746 5.241 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.897 6.133 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.099 6.839 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.943 5.936 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.105 4.221 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.727 3.098 4.508 1.00 0.00 H new ATOM 77 N CYS A 6 -1.740 6.854 -0.533 1.00 0.00 N ATOM 78 CA CYS A 6 -0.567 6.895 -1.450 1.00 0.00 C ATOM 79 C CYS A 6 -0.731 7.960 -2.540 1.00 0.00 C ATOM 80 O CYS A 6 0.245 8.464 -3.060 1.00 0.00 O ATOM 81 CB CYS A 6 -0.439 5.522 -2.089 1.00 0.00 C ATOM 82 SG CYS A 6 -0.735 4.265 -0.824 1.00 0.00 S ATOM 0 H CYS A 6 -2.523 6.290 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 6 0.326 7.155 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.156 5.415 -2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.554 5.397 -2.521 1.00 0.00 H new ATOM 87 N CYS A 7 -1.933 8.316 -2.899 1.00 0.00 N ATOM 88 CA CYS A 7 -2.107 9.356 -3.963 1.00 0.00 C ATOM 89 C CYS A 7 -2.166 10.737 -3.316 1.00 0.00 C ATOM 90 O CYS A 7 -1.358 11.599 -3.598 1.00 0.00 O ATOM 91 CB CYS A 7 -3.398 9.084 -4.741 1.00 0.00 C ATOM 92 SG CYS A 7 -3.400 9.997 -6.315 1.00 0.00 S ATOM 0 H CYS A 7 -2.797 7.939 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.264 9.320 -4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.495 8.016 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.259 9.379 -4.142 1.00 0.00 H new ATOM 97 N THR A 8 -3.102 10.952 -2.441 1.00 0.00 N ATOM 98 CA THR A 8 -3.197 12.267 -1.769 1.00 0.00 C ATOM 99 C THR A 8 -1.957 12.463 -0.909 1.00 0.00 C ATOM 100 O THR A 8 -1.695 13.535 -0.400 1.00 0.00 O ATOM 101 CB THR A 8 -4.427 12.269 -0.865 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.532 11.711 -1.563 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.746 13.696 -0.456 1.00 0.00 C ATOM 0 H THR A 8 -3.807 10.270 -2.163 1.00 0.00 H new ATOM 0 HA THR A 8 -3.274 13.064 -2.508 1.00 0.00 H new ATOM 0 HB THR A 8 -4.228 11.672 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.320 11.711 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.624 13.702 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.897 14.119 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.946 14.293 -1.346 1.00 0.00 H new ATOM 111 N SER A 9 -1.212 11.416 -0.717 1.00 0.00 N ATOM 112 CA SER A 9 -0.009 11.509 0.140 1.00 0.00 C ATOM 113 C SER A 9 0.937 10.350 -0.194 1.00 0.00 C ATOM 114 O SER A 9 0.600 9.470 -0.950 1.00 0.00 O ATOM 115 CB SER A 9 -0.473 11.421 1.593 1.00 0.00 C ATOM 116 OG SER A 9 -1.721 12.088 1.721 1.00 0.00 O ATOM 0 H SER A 9 -1.387 10.496 -1.120 1.00 0.00 H new ATOM 0 HA SER A 9 0.524 12.445 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.571 10.378 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.266 11.876 2.253 1.00 0.00 H new ATOM 0 HG SER A 9 -1.695 12.930 1.220 1.00 0.00 H new ATOM 122 N ILE A 10 2.119 10.339 0.357 1.00 0.00 N ATOM 123 CA ILE A 10 3.072 9.227 0.052 1.00 0.00 C ATOM 124 C ILE A 10 2.872 8.091 1.057 1.00 0.00 C ATOM 125 O ILE A 10 2.741 8.311 2.245 1.00 0.00 O ATOM 126 CB ILE A 10 4.502 9.767 0.131 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.667 10.873 -0.911 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.510 8.651 -0.163 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.926 11.681 -0.609 1.00 0.00 C ATOM 0 H ILE A 10 2.468 11.047 1.003 1.00 0.00 H new ATOM 0 HA ILE A 10 2.889 8.839 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 10 4.685 10.154 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.732 10.439 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.794 11.526 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.523 9.050 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.391 7.852 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.334 8.256 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.040 12.468 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.843 12.128 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.796 11.024 -0.639 1.00 0.00 H new ATOM 141 N CYS A 11 2.838 6.874 0.581 1.00 0.00 N ATOM 142 CA CYS A 11 2.634 5.703 1.492 1.00 0.00 C ATOM 143 C CYS A 11 3.985 5.083 1.851 1.00 0.00 C ATOM 144 O CYS A 11 5.007 5.417 1.285 1.00 0.00 O ATOM 145 CB CYS A 11 1.786 4.641 0.777 1.00 0.00 C ATOM 146 SG CYS A 11 0.036 5.086 0.854 1.00 0.00 S ATOM 0 H CYS A 11 2.943 6.637 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 11 2.130 6.043 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.101 4.553 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.942 3.667 1.241 1.00 0.00 H new ATOM 151 N SER A 12 3.979 4.157 2.777 1.00 0.00 N ATOM 152 CA SER A 12 5.236 3.460 3.186 1.00 0.00 C ATOM 153 C SER A 12 5.075 1.972 2.884 1.00 0.00 C ATOM 154 O SER A 12 3.998 1.420 2.993 1.00 0.00 O ATOM 155 CB SER A 12 5.472 3.660 4.683 1.00 0.00 C ATOM 156 OG SER A 12 5.777 5.025 4.932 1.00 0.00 O ATOM 0 H SER A 12 3.143 3.850 3.274 1.00 0.00 H new ATOM 0 HA SER A 12 6.088 3.866 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.586 3.365 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.290 3.025 5.022 1.00 0.00 H new ATOM 0 HG SER A 12 5.927 5.157 5.891 1.00 0.00 H new ATOM 162 N LEU A 13 6.132 1.322 2.490 1.00 0.00 N ATOM 163 CA LEU A 13 6.052 -0.126 2.161 1.00 0.00 C ATOM 164 C LEU A 13 5.232 -0.868 3.223 1.00 0.00 C ATOM 165 O LEU A 13 4.540 -1.816 2.928 1.00 0.00 O ATOM 166 CB LEU A 13 7.490 -0.686 2.109 1.00 0.00 C ATOM 167 CG LEU A 13 7.640 -1.733 0.992 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.373 -1.095 -0.391 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.063 -2.302 1.046 1.00 0.00 C ATOM 0 H LEU A 13 7.057 1.737 2.381 1.00 0.00 H new ATOM 0 HA LEU A 13 5.560 -0.265 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.195 0.129 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.743 -1.136 3.069 1.00 0.00 H new ATOM 0 HG LEU A 13 6.913 -2.531 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.484 -1.851 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.360 -0.694 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.087 -0.290 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.187 -3.047 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.783 -1.497 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.232 -2.768 2.017 1.00 0.00 H new ATOM 181 N TYR A 14 5.298 -0.451 4.454 1.00 0.00 N ATOM 182 CA TYR A 14 4.510 -1.166 5.497 1.00 0.00 C ATOM 183 C TYR A 14 3.019 -1.016 5.174 1.00 0.00 C ATOM 184 O TYR A 14 2.231 -1.911 5.405 1.00 0.00 O ATOM 185 CB TYR A 14 4.855 -0.592 6.897 1.00 0.00 C ATOM 186 CG TYR A 14 3.693 0.189 7.480 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.748 1.578 7.543 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.571 -0.489 7.958 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.680 2.300 8.088 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.499 0.225 8.501 1.00 0.00 C ATOM 191 CZ TYR A 14 1.553 1.623 8.569 1.00 0.00 C ATOM 192 OH TYR A 14 0.498 2.330 9.106 1.00 0.00 O ATOM 0 H TYR A 14 5.853 0.340 4.782 1.00 0.00 H new ATOM 0 HA TYR A 14 4.758 -2.227 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.121 -1.407 7.570 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.728 0.056 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.617 2.100 7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.531 -1.567 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.725 3.378 8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.630 -0.301 8.868 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.203 1.707 9.391 1.00 0.00 H new ATOM 202 N GLN A 15 2.632 0.108 4.641 1.00 0.00 N ATOM 203 CA GLN A 15 1.204 0.312 4.305 1.00 0.00 C ATOM 204 C GLN A 15 0.899 -0.453 3.023 1.00 0.00 C ATOM 205 O GLN A 15 -0.180 -0.969 2.834 1.00 0.00 O ATOM 206 CB GLN A 15 0.931 1.800 4.076 1.00 0.00 C ATOM 207 CG GLN A 15 1.469 2.619 5.247 1.00 0.00 C ATOM 208 CD GLN A 15 1.357 4.105 4.912 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.702 4.951 5.712 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.884 4.457 3.749 1.00 0.00 N ATOM 0 H GLN A 15 3.246 0.893 4.425 1.00 0.00 H new ATOM 0 HA GLN A 15 0.577 -0.044 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.402 2.125 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.140 1.968 3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.906 2.394 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.508 2.355 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.595 3.744 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.803 5.445 3.509 1.00 0.00 H new ATOM 219 N LEU A 16 1.852 -0.519 2.138 1.00 0.00 N ATOM 220 CA LEU A 16 1.649 -1.238 0.858 1.00 0.00 C ATOM 221 C LEU A 16 1.634 -2.745 1.123 1.00 0.00 C ATOM 222 O LEU A 16 0.738 -3.452 0.706 1.00 0.00 O ATOM 223 CB LEU A 16 2.816 -0.869 -0.077 1.00 0.00 C ATOM 224 CG LEU A 16 2.382 -0.863 -1.551 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.231 0.137 -1.778 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.589 -0.488 -2.437 1.00 0.00 C ATOM 0 H LEU A 16 2.774 -0.099 2.252 1.00 0.00 H new ATOM 0 HA LEU A 16 0.701 -0.959 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.202 0.114 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.631 -1.580 0.060 1.00 0.00 H new ATOM 0 HG LEU A 16 2.026 -1.858 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.940 0.124 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.377 -0.145 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.561 1.139 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.284 -0.483 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.950 0.502 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.386 -1.218 -2.295 1.00 0.00 H new ATOM 238 N GLU A 17 2.616 -3.237 1.823 1.00 0.00 N ATOM 239 CA GLU A 17 2.653 -4.695 2.123 1.00 0.00 C ATOM 240 C GLU A 17 1.414 -5.045 2.938 1.00 0.00 C ATOM 241 O GLU A 17 0.983 -6.179 3.002 1.00 0.00 O ATOM 242 CB GLU A 17 3.901 -5.018 2.954 1.00 0.00 C ATOM 243 CG GLU A 17 5.166 -4.591 2.193 1.00 0.00 C ATOM 244 CD GLU A 17 6.310 -4.337 3.181 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.866 -5.305 3.674 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.609 -3.180 3.425 1.00 0.00 O ATOM 0 H GLU A 17 3.393 -2.695 2.200 1.00 0.00 H new ATOM 0 HA GLU A 17 2.679 -5.266 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.852 -4.502 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.939 -6.086 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.453 -5.367 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.966 -3.689 1.615 1.00 0.00 H new ATOM 253 N ASN A 18 0.856 -4.060 3.575 1.00 0.00 N ATOM 254 CA ASN A 18 -0.350 -4.274 4.422 1.00 0.00 C ATOM 255 C ASN A 18 -1.553 -4.674 3.541 1.00 0.00 C ATOM 256 O ASN A 18 -2.394 -5.447 3.954 1.00 0.00 O ATOM 257 CB ASN A 18 -0.629 -2.958 5.185 1.00 0.00 C ATOM 258 CG ASN A 18 -0.302 -3.095 6.665 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.600 -4.101 7.278 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.304 -2.118 7.267 1.00 0.00 N ATOM 0 H ASN A 18 1.189 -3.096 3.546 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.185 -5.084 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.036 -2.152 4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.677 -2.682 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.532 -2.193 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.552 -1.275 6.749 1.00 0.00 H new ATOM 267 N TYR A 19 -1.645 -4.166 2.335 1.00 0.00 N ATOM 268 CA TYR A 19 -2.800 -4.543 1.457 1.00 0.00 C ATOM 269 C TYR A 19 -2.474 -5.838 0.717 1.00 0.00 C ATOM 270 O TYR A 19 -3.287 -6.362 -0.019 1.00 0.00 O ATOM 271 CB TYR A 19 -3.070 -3.429 0.444 1.00 0.00 C ATOM 272 CG TYR A 19 -3.514 -2.185 1.176 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.835 -2.062 1.624 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.599 -1.158 1.410 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.237 -0.907 2.309 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.998 -0.002 2.093 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.317 0.122 2.544 1.00 0.00 C ATOM 278 OH TYR A 19 -4.712 1.260 3.218 1.00 0.00 O ATOM 0 H TYR A 19 -0.978 -3.513 1.923 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.687 -4.687 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.170 -3.222 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.838 -3.743 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.544 -2.856 1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.581 -1.255 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.255 -0.811 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.289 0.793 2.271 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.949 1.632 3.707 1.00 0.00 H new ATOM 288 N CYS A 20 -1.290 -6.362 0.906 1.00 0.00 N ATOM 289 CA CYS A 20 -0.904 -7.628 0.218 1.00 0.00 C ATOM 290 C CYS A 20 -1.067 -8.805 1.177 1.00 0.00 C ATOM 291 O CYS A 20 -0.854 -8.689 2.368 1.00 0.00 O ATOM 292 CB CYS A 20 0.548 -7.536 -0.242 1.00 0.00 C ATOM 293 SG CYS A 20 1.133 -9.176 -0.734 1.00 0.00 S ATOM 0 H CYS A 20 -0.571 -5.964 1.511 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.548 -7.780 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.632 -6.843 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.171 -7.143 0.562 1.00 0.00 H new ATOM 298 N ASN A 21 -1.446 -9.939 0.661 1.00 0.00 N ATOM 299 CA ASN A 21 -1.629 -11.133 1.522 1.00 0.00 C ATOM 300 C ASN A 21 -0.301 -11.490 2.195 1.00 0.00 C ATOM 301 O ASN A 21 -0.292 -12.416 2.990 1.00 0.00 O ATOM 302 CB ASN A 21 -2.104 -12.296 0.649 1.00 0.00 C ATOM 303 CG ASN A 21 -3.093 -11.779 -0.397 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.538 -10.651 -0.325 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.461 -12.564 -1.372 1.00 0.00 N ATOM 306 OXT ASN A 21 0.685 -10.833 1.903 1.00 0.00 O ATOM 0 H ASN A 21 -1.638 -10.089 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.369 -10.928 2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.253 -12.767 0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.578 -13.059 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.122 -12.230 -2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.088 -13.511 -1.433 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.102 1.311 -0.345 1.00 0.00 N ATOM 315 CA PHE B 22 11.189 1.842 -1.397 1.00 0.00 C ATOM 316 C PHE B 22 11.289 3.372 -1.422 1.00 0.00 C ATOM 317 O PHE B 22 11.609 3.997 -0.431 1.00 0.00 O ATOM 318 CB PHE B 22 9.746 1.406 -1.079 1.00 0.00 C ATOM 319 CG PHE B 22 8.940 1.295 -2.356 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.125 2.356 -2.769 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.011 0.128 -3.124 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.383 2.249 -3.952 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.269 0.020 -4.306 1.00 0.00 C ATOM 324 CZ PHE B 22 7.455 1.081 -4.720 1.00 0.00 C ATOM 0 HA PHE B 22 11.472 1.451 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.754 0.447 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.280 2.127 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.069 3.257 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.639 -0.691 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.755 3.068 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE B 22 8.324 -0.881 -4.898 1.00 0.00 H new ATOM 0 HZ PHE B 22 6.883 0.998 -5.632 1.00 0.00 H new ATOM 336 N VAL B 23 11.022 3.980 -2.546 1.00 0.00 N ATOM 337 CA VAL B 23 11.110 5.467 -2.624 1.00 0.00 C ATOM 338 C VAL B 23 9.835 6.092 -2.060 1.00 0.00 C ATOM 339 O VAL B 23 8.783 5.486 -2.051 1.00 0.00 O ATOM 340 CB VAL B 23 11.275 5.902 -4.082 1.00 0.00 C ATOM 341 CG1 VAL B 23 9.988 5.602 -4.859 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.557 7.406 -4.130 1.00 0.00 C ATOM 0 H VAL B 23 10.748 3.514 -3.411 1.00 0.00 H new ATOM 0 HA VAL B 23 11.970 5.799 -2.043 1.00 0.00 H new ATOM 0 HB VAL B 23 12.104 5.356 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.109 5.913 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.782 4.532 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.157 6.147 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.675 7.721 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.725 7.947 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.472 7.622 -3.578 1.00 0.00 H new ATOM 352 N ASN B 24 9.921 7.313 -1.606 1.00 0.00 N ATOM 353 CA ASN B 24 8.717 8.007 -1.054 1.00 0.00 C ATOM 354 C ASN B 24 8.143 8.917 -2.146 1.00 0.00 C ATOM 355 O ASN B 24 8.551 10.052 -2.298 1.00 0.00 O ATOM 356 CB ASN B 24 9.112 8.845 0.188 1.00 0.00 C ATOM 357 CG ASN B 24 10.637 8.940 0.303 1.00 0.00 C ATOM 358 OD1 ASN B 24 11.269 9.672 -0.433 1.00 0.00 O ATOM 359 ND2 ASN B 24 11.258 8.225 1.201 1.00 0.00 N ATOM 0 H ASN B 24 10.779 7.865 -1.593 1.00 0.00 H new ATOM 0 HA ASN B 24 7.969 7.276 -0.749 1.00 0.00 H new ATOM 0 HB2 ASN B 24 8.683 9.844 0.112 1.00 0.00 H new ATOM 0 HB3 ASN B 24 8.700 8.389 1.088 1.00 0.00 H new ATOM 0 HD21 ASN B 24 12.273 8.281 1.285 1.00 0.00 H new ATOM 0 HD22 ASN B 24 10.728 7.610 1.819 1.00 0.00 H new ATOM 366 N GLN B 25 7.203 8.422 -2.909 1.00 0.00 N ATOM 367 CA GLN B 25 6.596 9.248 -4.000 1.00 0.00 C ATOM 368 C GLN B 25 5.082 9.038 -4.025 1.00 0.00 C ATOM 369 O GLN B 25 4.591 7.955 -3.778 1.00 0.00 O ATOM 370 CB GLN B 25 7.196 8.820 -5.345 1.00 0.00 C ATOM 371 CG GLN B 25 6.721 9.761 -6.459 1.00 0.00 C ATOM 372 CD GLN B 25 6.927 9.084 -7.806 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.159 9.278 -8.727 1.00 0.00 O ATOM 374 NE2 GLN B 25 7.944 8.293 -7.955 1.00 0.00 N ATOM 0 H GLN B 25 6.827 7.478 -2.824 1.00 0.00 H new ATOM 0 HA GLN B 25 6.807 10.302 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.284 8.833 -5.287 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.901 7.796 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.668 10.007 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.276 10.699 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.585 8.135 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.103 7.829 -8.850 1.00 0.00 H new ATOM 383 N HIS B 26 4.338 10.073 -4.322 1.00 0.00 N ATOM 384 CA HIS B 26 2.859 9.938 -4.364 1.00 0.00 C ATOM 385 C HIS B 26 2.468 9.079 -5.568 1.00 0.00 C ATOM 386 O HIS B 26 2.591 9.497 -6.703 1.00 0.00 O ATOM 387 CB HIS B 26 2.221 11.321 -4.522 1.00 0.00 C ATOM 388 CG HIS B 26 2.712 12.255 -3.449 1.00 0.00 C ATOM 389 ND1 HIS B 26 1.858 12.809 -2.504 1.00 0.00 N ATOM 390 CD2 HIS B 26 3.958 12.762 -3.170 1.00 0.00 C ATOM 391 CE1 HIS B 26 2.594 13.609 -1.709 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.877 13.614 -2.075 1.00 0.00 N ATOM 0 H HIS B 26 4.695 11.004 -4.537 1.00 0.00 H new ATOM 0 HA HIS B 26 2.513 9.474 -3.440 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.461 11.728 -5.504 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.136 11.235 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS B 26 4.861 12.534 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.196 14.175 -0.880 1.00 0.00 H new ATOM 0 HE2 HIS B 26 4.640 14.135 -1.641 1.00 0.00 H new ATOM 401 N LEU B 27 2.000 7.883 -5.337 1.00 0.00 N ATOM 402 CA LEU B 27 1.603 7.001 -6.469 1.00 0.00 C ATOM 403 C LEU B 27 0.112 7.172 -6.761 1.00 0.00 C ATOM 404 O LEU B 27 -0.679 7.443 -5.882 1.00 0.00 O ATOM 405 CB LEU B 27 1.855 5.542 -6.095 1.00 0.00 C ATOM 406 CG LEU B 27 3.259 5.371 -5.496 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.333 4.041 -4.748 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.298 5.377 -6.615 1.00 0.00 C ATOM 0 H LEU B 27 1.875 7.478 -4.409 1.00 0.00 H new ATOM 0 HA LEU B 27 2.189 7.272 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.105 5.210 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.752 4.912 -6.978 1.00 0.00 H new ATOM 0 HG LEU B 27 3.460 6.192 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.329 3.918 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.593 4.032 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU B 27 3.130 3.223 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.293 5.256 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU B 27 4.096 4.556 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.247 6.323 -7.154 1.00 0.00 H new ATOM 420 N CYS B 28 -0.269 6.988 -7.989 1.00 0.00 N ATOM 421 CA CYS B 28 -1.702 7.110 -8.369 1.00 0.00 C ATOM 422 C CYS B 28 -1.933 6.287 -9.636 1.00 0.00 C ATOM 423 O CYS B 28 -1.030 5.649 -10.139 1.00 0.00 O ATOM 424 CB CYS B 28 -2.042 8.576 -8.644 1.00 0.00 C ATOM 425 SG CYS B 28 -1.624 9.583 -7.199 1.00 0.00 S ATOM 0 H CYS B 28 0.359 6.755 -8.758 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.336 6.747 -7.560 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.492 8.929 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.103 8.676 -8.874 1.00 0.00 H new ATOM 430 N GLY B 29 -3.125 6.290 -10.162 1.00 0.00 N ATOM 431 CA GLY B 29 -3.382 5.498 -11.398 1.00 0.00 C ATOM 432 C GLY B 29 -2.864 4.074 -11.206 1.00 0.00 C ATOM 433 O GLY B 29 -2.941 3.512 -10.131 1.00 0.00 O ATOM 0 H GLY B 29 -3.927 6.802 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.450 5.482 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.889 5.964 -12.251 1.00 0.00 H new ATOM 437 N SER B 30 -2.340 3.486 -12.242 1.00 0.00 N ATOM 438 CA SER B 30 -1.818 2.095 -12.124 1.00 0.00 C ATOM 439 C SER B 30 -0.465 2.104 -11.403 1.00 0.00 C ATOM 440 O SER B 30 -0.031 1.097 -10.878 1.00 0.00 O ATOM 441 CB SER B 30 -1.658 1.484 -13.517 1.00 0.00 C ATOM 442 OG SER B 30 -2.762 1.868 -14.327 1.00 0.00 O ATOM 0 H SER B 30 -2.250 3.907 -13.167 1.00 0.00 H new ATOM 0 HA SER B 30 -2.524 1.497 -11.548 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.725 1.821 -13.970 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.604 0.398 -13.446 1.00 0.00 H new ATOM 0 HG SER B 30 -2.662 1.480 -15.221 1.00 0.00 H new ATOM 448 N ASP B 31 0.205 3.229 -11.363 1.00 0.00 N ATOM 449 CA ASP B 31 1.527 3.284 -10.661 1.00 0.00 C ATOM 450 C ASP B 31 1.381 2.625 -9.291 1.00 0.00 C ATOM 451 O ASP B 31 2.039 1.654 -8.974 1.00 0.00 O ATOM 452 CB ASP B 31 1.954 4.744 -10.472 1.00 0.00 C ATOM 453 CG ASP B 31 1.881 5.477 -11.813 1.00 0.00 C ATOM 454 OD1 ASP B 31 0.779 5.773 -12.244 1.00 0.00 O ATOM 455 OD2 ASP B 31 2.929 5.730 -12.385 1.00 0.00 O ATOM 0 H ASP B 31 -0.102 4.106 -11.782 1.00 0.00 H new ATOM 0 HA ASP B 31 2.279 2.763 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.306 5.232 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.969 4.789 -10.076 1.00 0.00 H new ATOM 460 N LEU B 32 0.499 3.144 -8.489 1.00 0.00 N ATOM 461 CA LEU B 32 0.259 2.565 -7.141 1.00 0.00 C ATOM 462 C LEU B 32 0.076 1.052 -7.274 1.00 0.00 C ATOM 463 O LEU B 32 0.779 0.275 -6.659 1.00 0.00 O ATOM 464 CB LEU B 32 -1.014 3.206 -6.581 1.00 0.00 C ATOM 465 CG LEU B 32 -1.477 2.491 -5.313 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.350 2.480 -4.277 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.681 3.241 -4.752 1.00 0.00 C ATOM 0 H LEU B 32 -0.075 3.957 -8.713 1.00 0.00 H new ATOM 0 HA LEU B 32 1.099 2.757 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.830 4.258 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.804 3.170 -7.332 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.747 1.461 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.689 1.968 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.516 1.959 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.073 3.505 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.028 2.746 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.395 4.267 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.482 3.247 -5.491 1.00 0.00 H new ATOM 479 N VAL B 33 -0.860 0.629 -8.078 1.00 0.00 N ATOM 480 CA VAL B 33 -1.082 -0.832 -8.257 1.00 0.00 C ATOM 481 C VAL B 33 0.242 -1.508 -8.559 1.00 0.00 C ATOM 482 O VAL B 33 0.664 -2.416 -7.870 1.00 0.00 O ATOM 483 CB VAL B 33 -2.016 -1.074 -9.447 1.00 0.00 C ATOM 484 CG1 VAL B 33 -1.947 -2.553 -9.872 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.441 -0.716 -9.049 1.00 0.00 C ATOM 0 H VAL B 33 -1.480 1.232 -8.618 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.522 -1.235 -7.345 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.706 -0.450 -10.286 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.613 -2.720 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.925 -2.802 -10.160 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.254 -3.186 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.109 -0.887 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.751 -1.338 -8.209 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.485 0.334 -8.759 1.00 0.00 H new ATOM 495 N GLU B 34 0.872 -1.086 -9.620 1.00 0.00 N ATOM 496 CA GLU B 34 2.156 -1.700 -10.037 1.00 0.00 C ATOM 497 C GLU B 34 3.011 -1.954 -8.796 1.00 0.00 C ATOM 498 O GLU B 34 3.630 -2.989 -8.658 1.00 0.00 O ATOM 499 CB GLU B 34 2.868 -0.745 -11.021 1.00 0.00 C ATOM 500 CG GLU B 34 3.039 -1.409 -12.394 1.00 0.00 C ATOM 501 CD GLU B 34 3.701 -0.424 -13.360 1.00 0.00 C ATOM 502 OE1 GLU B 34 4.371 0.479 -12.887 1.00 0.00 O ATOM 503 OE2 GLU B 34 3.526 -0.590 -14.556 1.00 0.00 O ATOM 0 H GLU B 34 0.544 -0.331 -10.222 1.00 0.00 H new ATOM 0 HA GLU B 34 1.986 -2.652 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.291 0.174 -11.125 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.843 -0.466 -10.623 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.648 -2.308 -12.301 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.069 -1.719 -12.783 1.00 0.00 H new ATOM 510 N ALA B 35 3.018 -1.029 -7.881 1.00 0.00 N ATOM 511 CA ALA B 35 3.801 -1.238 -6.643 1.00 0.00 C ATOM 512 C ALA B 35 3.294 -2.513 -5.976 1.00 0.00 C ATOM 513 O ALA B 35 4.016 -3.466 -5.825 1.00 0.00 O ATOM 514 CB ALA B 35 3.613 -0.032 -5.718 1.00 0.00 C ATOM 0 H ALA B 35 2.517 -0.142 -7.939 1.00 0.00 H new ATOM 0 HA ALA B 35 4.864 -1.338 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.188 -0.181 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.960 0.870 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.557 0.074 -5.469 1.00 0.00 H new ATOM 520 N LEU B 36 2.047 -2.561 -5.605 1.00 0.00 N ATOM 521 CA LEU B 36 1.523 -3.807 -4.985 1.00 0.00 C ATOM 522 C LEU B 36 1.875 -4.979 -5.892 1.00 0.00 C ATOM 523 O LEU B 36 2.366 -5.997 -5.450 1.00 0.00 O ATOM 524 CB LEU B 36 0.005 -3.722 -4.846 1.00 0.00 C ATOM 525 CG LEU B 36 -0.368 -2.669 -3.789 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.790 -2.178 -4.040 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.308 -3.288 -2.392 1.00 0.00 C ATOM 0 H LEU B 36 1.374 -1.801 -5.703 1.00 0.00 H new ATOM 0 HA LEU B 36 1.964 -3.940 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.442 -3.461 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.397 -4.694 -4.561 1.00 0.00 H new ATOM 0 HG LEU B 36 0.335 -1.839 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.055 -1.432 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.851 -1.733 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.482 -3.018 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.573 -2.536 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.009 -4.120 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.702 -3.650 -2.197 1.00 0.00 H new ATOM 539 N TYR B 37 1.651 -4.831 -7.167 1.00 0.00 N ATOM 540 CA TYR B 37 2.002 -5.927 -8.098 1.00 0.00 C ATOM 541 C TYR B 37 3.489 -6.233 -7.903 1.00 0.00 C ATOM 542 O TYR B 37 3.954 -7.329 -8.141 1.00 0.00 O ATOM 543 CB TYR B 37 1.724 -5.474 -9.535 1.00 0.00 C ATOM 544 CG TYR B 37 1.718 -6.674 -10.453 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.503 -7.241 -10.857 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.927 -7.221 -10.899 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.497 -8.354 -11.706 1.00 0.00 C ATOM 548 CE2 TYR B 37 2.921 -8.334 -11.748 1.00 0.00 C ATOM 549 CZ TYR B 37 1.706 -8.901 -12.151 1.00 0.00 C ATOM 550 OH TYR B 37 1.700 -9.999 -12.988 1.00 0.00 O ATOM 0 H TYR B 37 1.242 -4.002 -7.599 1.00 0.00 H new ATOM 0 HA TYR B 37 1.410 -6.822 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.764 -4.960 -9.586 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.484 -4.762 -9.856 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.430 -6.819 -10.513 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.865 -6.784 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.440 -8.791 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR B 37 3.854 -8.755 -12.092 1.00 0.00 H new ATOM 0 HH TYR B 37 2.622 -10.251 -13.203 1.00 0.00 H new ATOM 560 N LEU B 38 4.226 -5.257 -7.441 1.00 0.00 N ATOM 561 CA LEU B 38 5.679 -5.439 -7.182 1.00 0.00 C ATOM 562 C LEU B 38 5.852 -6.033 -5.774 1.00 0.00 C ATOM 563 O LEU B 38 6.339 -7.131 -5.596 1.00 0.00 O ATOM 564 CB LEU B 38 6.335 -4.050 -7.255 1.00 0.00 C ATOM 565 CG LEU B 38 7.809 -4.145 -7.659 1.00 0.00 C ATOM 566 CD1 LEU B 38 7.934 -4.278 -9.179 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.514 -2.863 -7.215 1.00 0.00 C ATOM 0 H LEU B 38 3.872 -4.324 -7.229 1.00 0.00 H new ATOM 0 HA LEU B 38 6.138 -6.109 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.799 -3.431 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.253 -3.557 -6.286 1.00 0.00 H new ATOM 0 HG LEU B 38 8.260 -5.019 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.987 -4.345 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.415 -5.178 -9.509 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.489 -3.406 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.567 -2.911 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.049 -2.005 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.430 -2.757 -6.133 1.00 0.00 H new ATOM 579 N VAL B 39 5.439 -5.291 -4.780 1.00 0.00 N ATOM 580 CA VAL B 39 5.541 -5.751 -3.368 1.00 0.00 C ATOM 581 C VAL B 39 4.890 -7.124 -3.215 1.00 0.00 C ATOM 582 O VAL B 39 5.492 -8.064 -2.735 1.00 0.00 O ATOM 583 CB VAL B 39 4.795 -4.742 -2.481 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.988 -5.072 -1.005 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.332 -3.343 -2.742 1.00 0.00 C ATOM 0 H VAL B 39 5.026 -4.365 -4.893 1.00 0.00 H new ATOM 0 HA VAL B 39 6.589 -5.822 -3.078 1.00 0.00 H new ATOM 0 HB VAL B 39 3.733 -4.793 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.451 -4.345 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.602 -6.071 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL B 39 6.050 -5.037 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.803 -2.627 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.397 -3.313 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.182 -3.085 -3.790 1.00 0.00 H new ATOM 595 N CYS B 40 3.652 -7.230 -3.592 1.00 0.00 N ATOM 596 CA CYS B 40 2.929 -8.521 -3.446 1.00 0.00 C ATOM 597 C CYS B 40 3.417 -9.536 -4.486 1.00 0.00 C ATOM 598 O CYS B 40 3.417 -10.724 -4.246 1.00 0.00 O ATOM 599 CB CYS B 40 1.427 -8.249 -3.623 1.00 0.00 C ATOM 600 SG CYS B 40 0.450 -9.403 -2.623 1.00 0.00 S ATOM 0 H CYS B 40 3.104 -6.472 -3.999 1.00 0.00 H new ATOM 0 HA CYS B 40 3.120 -8.945 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.200 -7.224 -3.331 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.155 -8.349 -4.674 1.00 0.00 H new ATOM 605 N GLY B 41 3.836 -9.093 -5.635 1.00 0.00 N ATOM 606 CA GLY B 41 4.315 -10.063 -6.662 1.00 0.00 C ATOM 607 C GLY B 41 3.304 -11.209 -6.800 1.00 0.00 C ATOM 608 O GLY B 41 2.180 -11.011 -7.219 1.00 0.00 O ATOM 0 H GLY B 41 3.869 -8.111 -5.909 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.442 -9.560 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.290 -10.458 -6.377 1.00 0.00 H new ATOM 612 N GLU B 42 3.700 -12.406 -6.456 1.00 0.00 N ATOM 613 CA GLU B 42 2.772 -13.571 -6.571 1.00 0.00 C ATOM 614 C GLU B 42 1.869 -13.679 -5.335 1.00 0.00 C ATOM 615 O GLU B 42 0.877 -14.379 -5.346 1.00 0.00 O ATOM 616 CB GLU B 42 3.588 -14.855 -6.712 1.00 0.00 C ATOM 617 CG GLU B 42 4.550 -14.723 -7.894 1.00 0.00 C ATOM 618 CD GLU B 42 3.753 -14.653 -9.198 1.00 0.00 C ATOM 619 OE1 GLU B 42 3.853 -13.645 -9.878 1.00 0.00 O ATOM 620 OE2 GLU B 42 3.055 -15.609 -9.495 1.00 0.00 O ATOM 0 H GLU B 42 4.629 -12.628 -6.099 1.00 0.00 H new ATOM 0 HA GLU B 42 2.142 -13.426 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.146 -15.046 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.924 -15.706 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU B 42 5.161 -13.827 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU B 42 5.232 -15.573 -7.918 1.00 0.00 H new ATOM 627 N ARG B 43 2.203 -13.009 -4.267 1.00 0.00 N ATOM 628 CA ARG B 43 1.354 -13.103 -3.039 1.00 0.00 C ATOM 629 C ARG B 43 -0.072 -12.642 -3.358 1.00 0.00 C ATOM 630 O ARG B 43 -1.002 -12.928 -2.631 1.00 0.00 O ATOM 631 CB ARG B 43 1.935 -12.221 -1.923 1.00 0.00 C ATOM 632 CG ARG B 43 3.118 -12.918 -1.248 1.00 0.00 C ATOM 633 CD ARG B 43 3.547 -12.110 -0.016 1.00 0.00 C ATOM 634 NE ARG B 43 4.962 -12.432 0.320 1.00 0.00 N ATOM 635 CZ ARG B 43 5.416 -12.203 1.522 1.00 0.00 C ATOM 636 NH1 ARG B 43 6.657 -12.483 1.816 1.00 0.00 N ATOM 637 NH2 ARG B 43 4.629 -11.696 2.431 1.00 0.00 N ATOM 0 H ARG B 43 3.020 -12.404 -4.188 1.00 0.00 H new ATOM 0 HA ARG B 43 1.337 -14.140 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG B 43 2.257 -11.266 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG B 43 1.163 -12.004 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG B 43 2.839 -13.930 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.950 -13.006 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.442 -11.043 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG B 43 2.899 -12.343 0.829 1.00 0.00 H new ATOM 0 HE ARG B 43 5.576 -12.832 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.272 -12.881 1.106 1.00 0.00 H new ATOM 0 HH12 ARG B 43 7.011 -12.304 2.756 1.00 0.00 H new ATOM 0 HH21 ARG B 43 3.659 -11.479 2.202 1.00 0.00 H new ATOM 0 HH22 ARG B 43 4.984 -11.517 3.370 1.00 0.00 H new ATOM 651 N GLY B 44 -0.250 -11.931 -4.433 1.00 0.00 N ATOM 652 CA GLY B 44 -1.617 -11.452 -4.791 1.00 0.00 C ATOM 653 C GLY B 44 -2.066 -10.389 -3.784 1.00 0.00 C ATOM 654 O GLY B 44 -2.004 -10.593 -2.586 1.00 0.00 O ATOM 0 H GLY B 44 0.489 -11.659 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.616 -11.036 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.318 -12.287 -4.791 1.00 0.00 H new ATOM 658 N TYR B 45 -2.517 -9.253 -4.263 1.00 0.00 N ATOM 659 CA TYR B 45 -2.975 -8.158 -3.351 1.00 0.00 C ATOM 660 C TYR B 45 -4.431 -7.829 -3.655 1.00 0.00 C ATOM 661 O TYR B 45 -5.027 -8.380 -4.558 1.00 0.00 O ATOM 662 CB TYR B 45 -2.127 -6.904 -3.589 1.00 0.00 C ATOM 663 CG TYR B 45 -2.245 -6.499 -5.034 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.054 -5.421 -5.406 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.540 -7.211 -6.002 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.157 -5.058 -6.751 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.640 -6.851 -7.350 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.450 -5.774 -7.726 1.00 0.00 C ATOM 669 OH TYR B 45 -2.553 -5.420 -9.056 1.00 0.00 O ATOM 0 H TYR B 45 -2.588 -9.037 -5.257 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.871 -8.483 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.464 -6.094 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.085 -7.101 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.599 -4.869 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -0.915 -8.042 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.782 -4.225 -7.039 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.093 -7.404 -8.099 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.718 -5.641 -9.519 1.00 0.00 H new ATOM 679 N PHE B 46 -5.001 -6.922 -2.905 1.00 0.00 N ATOM 680 CA PHE B 46 -6.424 -6.524 -3.132 1.00 0.00 C ATOM 681 C PHE B 46 -6.489 -5.012 -3.315 1.00 0.00 C ATOM 682 O PHE B 46 -6.120 -4.254 -2.440 1.00 0.00 O ATOM 683 CB PHE B 46 -7.269 -6.918 -1.924 1.00 0.00 C ATOM 684 CG PHE B 46 -6.987 -8.356 -1.553 1.00 0.00 C ATOM 685 CD1 PHE B 46 -6.344 -8.659 -0.345 1.00 0.00 C ATOM 686 CD2 PHE B 46 -7.372 -9.387 -2.418 1.00 0.00 C ATOM 687 CE1 PHE B 46 -6.086 -9.993 -0.005 1.00 0.00 C ATOM 688 CE2 PHE B 46 -7.114 -10.720 -2.078 1.00 0.00 C ATOM 689 CZ PHE B 46 -6.471 -11.023 -0.871 1.00 0.00 C ATOM 0 H PHE B 46 -4.538 -6.435 -2.138 1.00 0.00 H new ATOM 0 HA PHE B 46 -6.807 -7.028 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.044 -6.264 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -8.327 -6.792 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.048 -7.864 0.323 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -7.868 -9.154 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.590 -10.227 0.925 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -7.411 -11.515 -2.746 1.00 0.00 H new ATOM 0 HZ PHE B 46 -6.272 -12.052 -0.609 1.00 0.00 H new ATOM 699 N TYR B 47 -6.961 -4.573 -4.448 1.00 0.00 N ATOM 700 CA TYR B 47 -7.069 -3.106 -4.720 1.00 0.00 C ATOM 701 C TYR B 47 -8.485 -2.799 -5.209 1.00 0.00 C ATOM 702 O TYR B 47 -8.850 -3.132 -6.318 1.00 0.00 O ATOM 703 CB TYR B 47 -6.064 -2.724 -5.807 1.00 0.00 C ATOM 704 CG TYR B 47 -6.146 -1.240 -6.062 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.430 -0.352 -5.251 1.00 0.00 C ATOM 706 CD2 TYR B 47 -6.940 -0.752 -7.106 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.508 1.022 -5.485 1.00 0.00 C ATOM 708 CE2 TYR B 47 -7.018 0.626 -7.340 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.302 1.514 -6.529 1.00 0.00 C ATOM 710 OH TYR B 47 -6.377 2.872 -6.758 1.00 0.00 O ATOM 0 H TYR B 47 -7.281 -5.173 -5.208 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.859 -2.540 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.055 -2.996 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.276 -3.274 -6.724 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.818 -0.729 -4.445 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.492 -1.438 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -4.955 1.707 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.630 1.004 -8.146 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.970 3.043 -7.520 1.00 0.00 H new ATOM 720 N THR B 48 -9.282 -2.165 -4.389 1.00 0.00 N ATOM 721 CA THR B 48 -10.681 -1.830 -4.793 1.00 0.00 C ATOM 722 C THR B 48 -11.417 -1.232 -3.590 1.00 0.00 C ATOM 723 O THR B 48 -11.166 -0.112 -3.191 1.00 0.00 O ATOM 724 CB THR B 48 -11.420 -3.099 -5.253 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.821 -2.872 -5.193 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.059 -4.281 -4.344 1.00 0.00 C ATOM 0 H THR B 48 -9.022 -1.863 -3.450 1.00 0.00 H new ATOM 0 HA THR B 48 -10.654 -1.115 -5.615 1.00 0.00 H new ATOM 0 HB THR B 48 -11.124 -3.333 -6.275 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.296 -3.677 -5.487 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.588 -5.173 -4.680 1.00 0.00 H new ATOM 0 HG22 THR B 48 -9.984 -4.459 -4.388 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.348 -4.052 -3.318 1.00 0.00 H new ATOM 734 N LYS B 49 -12.319 -1.979 -3.008 1.00 0.00 N ATOM 735 CA LYS B 49 -13.079 -1.476 -1.828 1.00 0.00 C ATOM 736 C LYS B 49 -13.517 -0.028 -2.059 1.00 0.00 C ATOM 737 O LYS B 49 -13.324 0.821 -1.212 1.00 0.00 O ATOM 738 CB LYS B 49 -12.190 -1.563 -0.584 1.00 0.00 C ATOM 739 CG LYS B 49 -13.061 -1.578 0.673 1.00 0.00 C ATOM 740 CD LYS B 49 -12.167 -1.583 1.915 1.00 0.00 C ATOM 741 CE LYS B 49 -13.035 -1.468 3.169 1.00 0.00 C ATOM 742 NZ LYS B 49 -13.605 -0.094 3.255 1.00 0.00 N ATOM 0 H LYS B 49 -12.563 -2.924 -3.304 1.00 0.00 H new ATOM 0 HA LYS B 49 -13.970 -2.088 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.578 -2.464 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.506 -0.715 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -13.714 -0.705 0.686 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.704 -2.458 0.672 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.579 -2.500 1.949 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.461 -0.754 1.871 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.838 -2.205 3.137 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.440 -1.683 4.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -13.916 0.093 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.880 0.600 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.418 -0.015 2.611 1.00 0.00 H new ATOM 756 N PRO B 50 -14.112 0.245 -3.196 1.00 0.00 N ATOM 757 CA PRO B 50 -14.607 1.592 -3.563 1.00 0.00 C ATOM 758 C PRO B 50 -14.980 2.443 -2.336 1.00 0.00 C ATOM 759 O PRO B 50 -16.124 2.511 -1.932 1.00 0.00 O ATOM 760 CB PRO B 50 -15.843 1.273 -4.434 1.00 0.00 C ATOM 761 CG PRO B 50 -15.697 -0.170 -4.876 1.00 0.00 C ATOM 762 CD PRO B 50 -14.384 -0.696 -4.285 1.00 0.00 C ATOM 0 HA PRO B 50 -13.854 2.191 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -16.764 1.414 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -15.893 1.939 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -16.541 -0.766 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -15.684 -0.240 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -14.487 -1.718 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -13.582 -0.701 -5.024 1.00 0.00 H new ATOM 770 N THR B 51 -14.016 3.091 -1.738 1.00 0.00 N ATOM 771 CA THR B 51 -14.312 3.932 -0.543 1.00 0.00 C ATOM 772 C THR B 51 -14.801 5.308 -0.997 1.00 0.00 C ATOM 773 O THR B 51 -14.890 6.190 -0.159 1.00 0.00 O ATOM 774 CB THR B 51 -13.040 4.092 0.294 1.00 0.00 C ATOM 775 OG1 THR B 51 -13.263 5.060 1.311 1.00 0.00 O ATOM 776 CG2 THR B 51 -11.889 4.548 -0.604 1.00 0.00 C ATOM 777 OXT THR B 51 -15.079 5.457 -2.176 1.00 0.00 O ATOM 0 H THR B 51 -13.037 3.074 -2.025 1.00 0.00 H new ATOM 0 HA THR B 51 -15.085 3.453 0.058 1.00 0.00 H new ATOM 0 HB THR B 51 -12.783 3.136 0.751 1.00 0.00 H new ATOM 0 HG1 THR B 51 -14.120 5.509 1.153 1.00 0.00 H new ATOM 0 HG21 THR B 51 -10.984 4.661 -0.007 1.00 0.00 H new ATOM 0 HG22 THR B 51 -11.719 3.805 -1.383 1.00 0.00 H new ATOM 0 HG23 THR B 51 -12.142 5.503 -1.063 1.00 0.00 H new TER 785 THR B 51