USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 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 Single : A 43 HIS : no HE2:sc= -0.0345 K(o=-0.034,f=-0.83) USER MOD Single : A 44 MET CE :methyl -126:sc= 0 (180deg=-0.0163) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.097 (180deg=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0372 (180deg=-0.277) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0347) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.244 K(o=0.24,f=-2.1!) USER MOD Single : A 80 THR OG1 : rot 120:sc= 0.194 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -2.694 -21.112 -14.105 1.00 32.14 N ATOM 2 CA GLY A 41 -3.552 -20.037 -13.641 1.00 62.01 C ATOM 3 C GLY A 41 -4.241 -20.368 -12.332 1.00 3.13 C ATOM 4 O GLY A 41 -5.456 -20.560 -12.276 1.00 24.11 O ATOM 0 HA2 GLY A 41 -2.959 -19.131 -13.517 1.00 62.01 H new ATOM 0 HA3 GLY A 41 -4.305 -19.824 -14.400 1.00 62.01 H new ATOM 8 N PRO A 42 -3.454 -20.440 -11.248 1.00 15.25 N ATOM 9 CA PRO A 42 -3.974 -20.751 -9.913 1.00 1.30 C ATOM 10 C PRO A 42 -4.823 -19.620 -9.342 1.00 72.05 C ATOM 11 O PRO A 42 -5.087 -18.625 -10.020 1.00 61.45 O ATOM 12 CB PRO A 42 -2.708 -20.943 -9.075 1.00 44.33 C ATOM 13 CG PRO A 42 -1.664 -20.144 -9.777 1.00 23.45 C ATOM 14 CD PRO A 42 -1.998 -20.223 -11.241 1.00 53.14 C ATOM 0 HA PRO A 42 -4.631 -21.621 -9.925 1.00 1.30 H new ATOM 0 HB2 PRO A 42 -2.853 -20.594 -8.053 1.00 44.33 H new ATOM 0 HB3 PRO A 42 -2.428 -21.995 -9.016 1.00 44.33 H new ATOM 0 HG2 PRO A 42 -1.666 -19.110 -9.431 1.00 23.45 H new ATOM 0 HG3 PRO A 42 -0.669 -20.544 -9.581 1.00 23.45 H new ATOM 0 HD2 PRO A 42 -1.726 -19.307 -11.765 1.00 53.14 H new ATOM 0 HD3 PRO A 42 -1.468 -21.040 -11.731 1.00 53.14 H new ATOM 22 N HIS A 43 -5.248 -19.777 -8.093 1.00 4.32 N ATOM 23 CA HIS A 43 -6.067 -18.767 -7.432 1.00 1.50 C ATOM 24 C HIS A 43 -5.434 -18.332 -6.113 1.00 65.25 C ATOM 25 O HIS A 43 -6.132 -18.079 -5.132 1.00 73.34 O ATOM 26 CB HIS A 43 -7.475 -19.306 -7.182 1.00 14.22 C ATOM 27 CG HIS A 43 -7.493 -20.673 -6.570 1.00 13.21 C ATOM 28 ND1 HIS A 43 -7.021 -20.937 -5.302 1.00 44.22 N ATOM 29 CD2 HIS A 43 -7.933 -21.856 -7.061 1.00 31.22 C ATOM 30 CE1 HIS A 43 -7.167 -22.224 -5.039 1.00 41.34 C ATOM 31 NE2 HIS A 43 -7.718 -22.803 -6.090 1.00 33.15 N ATOM 0 H HIS A 43 -5.039 -20.593 -7.518 1.00 4.32 H new ATOM 0 HA HIS A 43 -6.130 -17.899 -8.088 1.00 1.50 H new ATOM 0 HB2 HIS A 43 -8.008 -18.617 -6.527 1.00 14.22 H new ATOM 0 HB3 HIS A 43 -8.018 -19.333 -8.127 1.00 14.22 H new ATOM 0 HD1 HIS A 43 -6.621 -20.247 -4.666 1.00 44.22 H new ATOM 0 HD2 HIS A 43 -8.371 -22.023 -8.034 1.00 31.22 H new ATOM 0 HE1 HIS A 43 -6.884 -22.718 -4.121 1.00 41.34 H new ATOM 40 N MET A 44 -4.108 -18.248 -6.098 1.00 44.35 N ATOM 41 CA MET A 44 -3.380 -17.843 -4.901 1.00 35.01 C ATOM 42 C MET A 44 -3.311 -16.323 -4.794 1.00 42.33 C ATOM 43 O MET A 44 -2.634 -15.666 -5.586 1.00 40.14 O ATOM 44 CB MET A 44 -1.969 -18.432 -4.912 1.00 41.31 C ATOM 45 CG MET A 44 -1.202 -18.194 -3.621 1.00 64.20 C ATOM 46 SD MET A 44 0.398 -19.027 -3.601 1.00 63.02 S ATOM 47 CE MET A 44 1.349 -17.958 -4.678 1.00 5.21 C ATOM 0 H MET A 44 -3.515 -18.455 -6.902 1.00 44.35 H new ATOM 0 HA MET A 44 -3.917 -18.225 -4.033 1.00 35.01 H new ATOM 0 HB2 MET A 44 -2.033 -19.505 -5.095 1.00 41.31 H new ATOM 0 HB3 MET A 44 -1.410 -18.000 -5.742 1.00 41.31 H new ATOM 0 HG2 MET A 44 -1.052 -17.123 -3.484 1.00 64.20 H new ATOM 0 HG3 MET A 44 -1.799 -18.542 -2.778 1.00 64.20 H new ATOM 0 HE1 MET A 44 1.797 -18.551 -5.476 1.00 5.21 H new ATOM 0 HE2 MET A 44 0.694 -17.202 -5.111 1.00 5.21 H new ATOM 0 HE3 MET A 44 2.136 -17.470 -4.103 1.00 5.21 H new ATOM 57 N THR A 45 -4.014 -15.770 -3.812 1.00 4.11 N ATOM 58 CA THR A 45 -4.032 -14.328 -3.603 1.00 53.41 C ATOM 59 C THR A 45 -2.738 -13.849 -2.957 1.00 44.42 C ATOM 60 O THR A 45 -2.187 -14.514 -2.080 1.00 0.13 O ATOM 61 CB THR A 45 -5.221 -13.902 -2.721 1.00 40.11 C ATOM 62 OG1 THR A 45 -6.454 -14.276 -3.346 1.00 50.25 O ATOM 63 CG2 THR A 45 -5.205 -12.401 -2.477 1.00 24.20 C ATOM 0 H THR A 45 -4.579 -16.299 -3.148 1.00 4.11 H new ATOM 0 HA THR A 45 -4.136 -13.869 -4.586 1.00 53.41 H new ATOM 0 HB THR A 45 -5.132 -14.410 -1.761 1.00 40.11 H new ATOM 0 HG1 THR A 45 -7.205 -14.003 -2.778 1.00 50.25 H new ATOM 0 HG21 THR A 45 -6.054 -12.125 -1.852 1.00 24.20 H new ATOM 0 HG22 THR A 45 -4.279 -12.124 -1.974 1.00 24.20 H new ATOM 0 HG23 THR A 45 -5.271 -11.877 -3.430 1.00 24.20 H new ATOM 71 N SER A 46 -2.256 -12.690 -3.395 1.00 51.13 N ATOM 72 CA SER A 46 -1.023 -12.124 -2.860 1.00 42.44 C ATOM 73 C SER A 46 -1.321 -10.938 -1.948 1.00 45.03 C ATOM 74 O SER A 46 -1.616 -9.839 -2.417 1.00 42.00 O ATOM 75 CB SER A 46 -0.101 -11.686 -4.000 1.00 54.54 C ATOM 76 OG SER A 46 0.631 -12.783 -4.515 1.00 61.33 O ATOM 0 H SER A 46 -2.700 -12.125 -4.119 1.00 51.13 H new ATOM 0 HA SER A 46 -0.523 -12.895 -2.274 1.00 42.44 H new ATOM 0 HB2 SER A 46 -0.692 -11.234 -4.796 1.00 54.54 H new ATOM 0 HB3 SER A 46 0.588 -10.922 -3.641 1.00 54.54 H new ATOM 0 HG SER A 46 1.211 -12.476 -5.243 1.00 61.33 H new ATOM 82 N GLU A 47 -1.241 -11.170 -0.641 1.00 41.21 N ATOM 83 CA GLU A 47 -1.503 -10.120 0.337 1.00 64.51 C ATOM 84 C GLU A 47 -0.666 -8.879 0.042 1.00 64.42 C ATOM 85 O GLU A 47 -1.159 -7.753 0.109 1.00 75.22 O ATOM 86 CB GLU A 47 -1.205 -10.626 1.751 1.00 51.43 C ATOM 87 CG GLU A 47 -2.172 -11.695 2.232 1.00 41.25 C ATOM 88 CD GLU A 47 -3.465 -11.113 2.771 1.00 44.23 C ATOM 89 OE1 GLU A 47 -4.542 -11.496 2.268 1.00 11.45 O ATOM 90 OE2 GLU A 47 -3.398 -10.276 3.695 1.00 54.44 O ATOM 0 H GLU A 47 -0.997 -12.074 -0.236 1.00 41.21 H new ATOM 0 HA GLU A 47 -2.557 -9.849 0.269 1.00 64.51 H new ATOM 0 HB2 GLU A 47 -0.191 -11.026 1.778 1.00 51.43 H new ATOM 0 HB3 GLU A 47 -1.234 -9.784 2.443 1.00 51.43 H new ATOM 0 HG2 GLU A 47 -2.398 -12.372 1.408 1.00 41.25 H new ATOM 0 HG3 GLU A 47 -1.693 -12.289 3.010 1.00 41.25 H new ATOM 98 N LEU A 48 0.604 -9.094 -0.284 1.00 32.20 N ATOM 99 CA LEU A 48 1.511 -7.993 -0.589 1.00 62.03 C ATOM 100 C LEU A 48 1.005 -7.184 -1.779 1.00 71.01 C ATOM 101 O LEU A 48 1.203 -5.971 -1.846 1.00 31.14 O ATOM 102 CB LEU A 48 2.914 -8.529 -0.883 1.00 12.45 C ATOM 103 CG LEU A 48 3.003 -9.640 -1.929 1.00 22.45 C ATOM 104 CD1 LEU A 48 3.181 -9.052 -3.320 1.00 13.53 C ATOM 105 CD2 LEU A 48 4.145 -10.592 -1.601 1.00 33.34 C ATOM 0 H LEU A 48 1.028 -10.020 -0.344 1.00 32.20 H new ATOM 0 HA LEU A 48 1.553 -7.338 0.281 1.00 62.03 H new ATOM 0 HB2 LEU A 48 3.537 -7.697 -1.212 1.00 12.45 H new ATOM 0 HB3 LEU A 48 3.342 -8.899 0.048 1.00 12.45 H new ATOM 0 HG LEU A 48 2.070 -10.203 -1.912 1.00 22.45 H new ATOM 0 HD11 LEU A 48 3.242 -9.858 -4.051 1.00 13.53 H new ATOM 0 HD12 LEU A 48 2.331 -8.412 -3.556 1.00 13.53 H new ATOM 0 HD13 LEU A 48 4.098 -8.463 -3.352 1.00 13.53 H new ATOM 0 HD21 LEU A 48 4.193 -11.376 -2.356 1.00 33.34 H new ATOM 0 HD22 LEU A 48 5.086 -10.041 -1.589 1.00 33.34 H new ATOM 0 HD23 LEU A 48 3.975 -11.041 -0.622 1.00 33.34 H new ATOM 117 N GLN A 49 0.351 -7.864 -2.715 1.00 54.23 N ATOM 118 CA GLN A 49 -0.186 -7.207 -3.901 1.00 71.22 C ATOM 119 C GLN A 49 -1.437 -6.403 -3.561 1.00 21.14 C ATOM 120 O GLN A 49 -1.585 -5.258 -3.984 1.00 43.53 O ATOM 121 CB GLN A 49 -0.508 -8.241 -4.981 1.00 21.52 C ATOM 122 CG GLN A 49 0.658 -8.533 -5.912 1.00 4.30 C ATOM 123 CD GLN A 49 0.820 -7.482 -6.991 1.00 60.24 C ATOM 124 OE1 GLN A 49 0.108 -7.492 -7.996 1.00 13.33 O ATOM 125 NE2 GLN A 49 1.761 -6.567 -6.791 1.00 55.51 N ATOM 0 H GLN A 49 0.180 -8.869 -2.675 1.00 54.23 H new ATOM 0 HA GLN A 49 0.572 -6.521 -4.279 1.00 71.22 H new ATOM 0 HB2 GLN A 49 -0.821 -9.169 -4.502 1.00 21.52 H new ATOM 0 HB3 GLN A 49 -1.353 -7.886 -5.571 1.00 21.52 H new ATOM 0 HG2 GLN A 49 1.577 -8.594 -5.329 1.00 4.30 H new ATOM 0 HG3 GLN A 49 0.511 -9.507 -6.378 1.00 4.30 H new ATOM 0 HE21 GLN A 49 2.329 -6.596 -5.944 1.00 55.51 H new ATOM 0 HE22 GLN A 49 1.916 -5.835 -7.484 1.00 55.51 H new ATOM 134 N MET A 50 -2.334 -7.013 -2.793 1.00 22.05 N ATOM 135 CA MET A 50 -3.573 -6.353 -2.395 1.00 22.44 C ATOM 136 C MET A 50 -3.281 -5.050 -1.656 1.00 75.25 C ATOM 137 O MET A 50 -4.025 -4.077 -1.777 1.00 71.22 O ATOM 138 CB MET A 50 -4.407 -7.280 -1.508 1.00 63.44 C ATOM 139 CG MET A 50 -5.865 -6.867 -1.400 1.00 73.44 C ATOM 140 SD MET A 50 -6.781 -7.854 -0.201 1.00 65.04 S ATOM 141 CE MET A 50 -6.530 -9.502 -0.857 1.00 53.00 C ATOM 0 H MET A 50 -2.227 -7.962 -2.434 1.00 22.05 H new ATOM 0 HA MET A 50 -4.138 -6.120 -3.297 1.00 22.44 H new ATOM 0 HB2 MET A 50 -4.353 -8.294 -1.904 1.00 63.44 H new ATOM 0 HB3 MET A 50 -3.970 -7.305 -0.510 1.00 63.44 H new ATOM 0 HG2 MET A 50 -5.921 -5.816 -1.117 1.00 73.44 H new ATOM 0 HG3 MET A 50 -6.338 -6.960 -2.378 1.00 73.44 H new ATOM 0 HE1 MET A 50 -7.274 -10.178 -0.436 1.00 53.00 H new ATOM 0 HE2 MET A 50 -6.632 -9.481 -1.942 1.00 53.00 H new ATOM 0 HE3 MET A 50 -5.532 -9.851 -0.593 1.00 53.00 H new ATOM 151 N LYS A 51 -2.196 -5.039 -0.892 1.00 24.11 N ATOM 152 CA LYS A 51 -1.805 -3.856 -0.134 1.00 21.12 C ATOM 153 C LYS A 51 -1.718 -2.633 -1.042 1.00 15.41 C ATOM 154 O LYS A 51 -2.210 -1.558 -0.699 1.00 4.30 O ATOM 155 CB LYS A 51 -0.459 -4.088 0.556 1.00 63.32 C ATOM 156 CG LYS A 51 -0.585 -4.563 1.993 1.00 41.41 C ATOM 157 CD LYS A 51 0.659 -4.233 2.800 1.00 23.12 C ATOM 158 CE LYS A 51 0.816 -5.169 3.989 1.00 44.15 C ATOM 159 NZ LYS A 51 1.560 -4.525 5.108 1.00 72.11 N ATOM 0 H LYS A 51 -1.570 -5.837 -0.780 1.00 24.11 H new ATOM 0 HA LYS A 51 -2.567 -3.672 0.623 1.00 21.12 H new ATOM 0 HB2 LYS A 51 0.109 -4.824 -0.013 1.00 63.32 H new ATOM 0 HB3 LYS A 51 0.114 -3.161 0.538 1.00 63.32 H new ATOM 0 HG2 LYS A 51 -1.455 -4.097 2.456 1.00 41.41 H new ATOM 0 HG3 LYS A 51 -0.755 -5.640 2.008 1.00 41.41 H new ATOM 0 HD2 LYS A 51 1.539 -4.305 2.160 1.00 23.12 H new ATOM 0 HD3 LYS A 51 0.603 -3.203 3.151 1.00 23.12 H new ATOM 0 HE2 LYS A 51 -0.168 -5.480 4.339 1.00 44.15 H new ATOM 0 HE3 LYS A 51 1.342 -6.070 3.675 1.00 44.15 H new ATOM 0 HZ1 LYS A 51 1.646 -5.195 5.899 1.00 72.11 H new ATOM 0 HZ2 LYS A 51 2.509 -4.251 4.782 1.00 72.11 H new ATOM 0 HZ3 LYS A 51 1.045 -3.679 5.426 1.00 72.11 H new ATOM 173 N VAL A 52 -1.092 -2.805 -2.201 1.00 73.12 N ATOM 174 CA VAL A 52 -0.944 -1.716 -3.159 1.00 52.13 C ATOM 175 C VAL A 52 -2.158 -1.623 -4.077 1.00 54.31 C ATOM 176 O VAL A 52 -2.724 -0.546 -4.267 1.00 40.24 O ATOM 177 CB VAL A 52 0.322 -1.891 -4.018 1.00 33.32 C ATOM 178 CG1 VAL A 52 0.565 -0.656 -4.871 1.00 4.34 C ATOM 179 CG2 VAL A 52 1.526 -2.187 -3.136 1.00 72.31 C ATOM 0 H VAL A 52 -0.679 -3.688 -2.500 1.00 73.12 H new ATOM 0 HA VAL A 52 -0.857 -0.796 -2.581 1.00 52.13 H new ATOM 0 HB VAL A 52 0.172 -2.739 -4.686 1.00 33.32 H new ATOM 0 HG11 VAL A 52 1.464 -0.799 -5.471 1.00 4.34 H new ATOM 0 HG12 VAL A 52 -0.289 -0.495 -5.529 1.00 4.34 H new ATOM 0 HG13 VAL A 52 0.694 0.213 -4.225 1.00 4.34 H new ATOM 0 HG21 VAL A 52 2.412 -2.308 -3.759 1.00 72.31 H new ATOM 0 HG22 VAL A 52 1.680 -1.361 -2.442 1.00 72.31 H new ATOM 0 HG23 VAL A 52 1.349 -3.104 -2.575 1.00 72.31 H new ATOM 189 N ASP A 53 -2.554 -2.757 -4.644 1.00 21.34 N ATOM 190 CA ASP A 53 -3.702 -2.805 -5.540 1.00 42.34 C ATOM 191 C ASP A 53 -4.923 -2.156 -4.895 1.00 42.44 C ATOM 192 O ASP A 53 -5.778 -1.599 -5.583 1.00 14.53 O ATOM 193 CB ASP A 53 -4.019 -4.252 -5.921 1.00 51.14 C ATOM 194 CG ASP A 53 -5.079 -4.347 -7.002 1.00 45.25 C ATOM 195 OD1 ASP A 53 -6.009 -5.167 -6.851 1.00 13.21 O ATOM 196 OD2 ASP A 53 -4.977 -3.602 -7.999 1.00 3.25 O ATOM 0 H ASP A 53 -2.096 -3.657 -4.498 1.00 21.34 H new ATOM 0 HA ASP A 53 -3.451 -2.247 -6.442 1.00 42.34 H new ATOM 0 HB2 ASP A 53 -3.108 -4.742 -6.265 1.00 51.14 H new ATOM 0 HB3 ASP A 53 -4.357 -4.792 -5.036 1.00 51.14 H new ATOM 202 N PHE A 54 -4.997 -2.233 -3.571 1.00 33.25 N ATOM 203 CA PHE A 54 -6.114 -1.655 -2.833 1.00 44.13 C ATOM 204 C PHE A 54 -6.164 -0.142 -3.018 1.00 4.21 C ATOM 205 O PHE A 54 -7.029 0.381 -3.719 1.00 14.33 O ATOM 206 CB PHE A 54 -6.000 -1.995 -1.345 1.00 72.22 C ATOM 207 CG PHE A 54 -7.089 -1.389 -0.507 1.00 64.33 C ATOM 208 CD1 PHE A 54 -8.299 -2.043 -0.341 1.00 51.55 C ATOM 209 CD2 PHE A 54 -6.903 -0.165 0.115 1.00 42.23 C ATOM 210 CE1 PHE A 54 -9.303 -1.488 0.430 1.00 70.04 C ATOM 211 CE2 PHE A 54 -7.903 0.394 0.887 1.00 1.40 C ATOM 212 CZ PHE A 54 -9.105 -0.267 1.044 1.00 14.12 C ATOM 0 H PHE A 54 -4.297 -2.690 -2.987 1.00 33.25 H new ATOM 0 HA PHE A 54 -7.036 -2.082 -3.227 1.00 44.13 H new ATOM 0 HB2 PHE A 54 -6.021 -3.078 -1.225 1.00 72.22 H new ATOM 0 HB3 PHE A 54 -5.034 -1.652 -0.975 1.00 72.22 H new ATOM 0 HD1 PHE A 54 -8.460 -2.998 -0.820 1.00 51.55 H new ATOM 0 HD2 PHE A 54 -5.966 0.358 -0.005 1.00 42.23 H new ATOM 0 HE1 PHE A 54 -10.241 -2.009 0.552 1.00 70.04 H new ATOM 0 HE2 PHE A 54 -7.745 1.348 1.368 1.00 1.40 H new ATOM 0 HZ PHE A 54 -9.888 0.170 1.646 1.00 14.12 H new ATOM 222 N PHE A 55 -5.227 0.557 -2.384 1.00 63.24 N ATOM 223 CA PHE A 55 -5.163 2.010 -2.477 1.00 10.21 C ATOM 224 C PHE A 55 -5.093 2.460 -3.933 1.00 11.23 C ATOM 225 O PHE A 55 -5.491 3.576 -4.269 1.00 64.50 O ATOM 226 CB PHE A 55 -3.950 2.539 -1.709 1.00 73.22 C ATOM 227 CG PHE A 55 -4.162 2.604 -0.223 1.00 74.42 C ATOM 228 CD1 PHE A 55 -4.936 3.607 0.336 1.00 1.44 C ATOM 229 CD2 PHE A 55 -3.588 1.660 0.613 1.00 0.34 C ATOM 230 CE1 PHE A 55 -5.132 3.669 1.703 1.00 51.12 C ATOM 231 CE2 PHE A 55 -3.781 1.717 1.981 1.00 61.21 C ATOM 232 CZ PHE A 55 -4.554 2.723 2.526 1.00 34.51 C ATOM 0 H PHE A 55 -4.502 0.140 -1.800 1.00 63.24 H new ATOM 0 HA PHE A 55 -6.071 2.417 -2.033 1.00 10.21 H new ATOM 0 HB2 PHE A 55 -3.091 1.901 -1.918 1.00 73.22 H new ATOM 0 HB3 PHE A 55 -3.704 3.535 -2.077 1.00 73.22 H new ATOM 0 HD1 PHE A 55 -5.392 4.349 -0.303 1.00 1.44 H new ATOM 0 HD2 PHE A 55 -2.983 0.871 0.191 1.00 0.34 H new ATOM 0 HE1 PHE A 55 -5.737 4.457 2.127 1.00 51.12 H new ATOM 0 HE2 PHE A 55 -3.328 0.976 2.622 1.00 61.21 H new ATOM 0 HZ PHE A 55 -4.706 2.770 3.594 1.00 34.51 H new ATOM 242 N ARG A 56 -4.585 1.584 -4.793 1.00 12.03 N ATOM 243 CA ARG A 56 -4.461 1.890 -6.213 1.00 60.41 C ATOM 244 C ARG A 56 -5.826 2.189 -6.826 1.00 23.15 C ATOM 245 O ARG A 56 -5.928 2.910 -7.819 1.00 63.22 O ATOM 246 CB ARG A 56 -3.801 0.724 -6.952 1.00 54.50 C ATOM 247 CG ARG A 56 -2.285 0.712 -6.843 1.00 14.34 C ATOM 248 CD ARG A 56 -1.631 1.215 -8.118 1.00 51.55 C ATOM 249 NE ARG A 56 -1.975 0.391 -9.274 1.00 14.12 N ATOM 250 CZ ARG A 56 -1.415 -0.786 -9.529 1.00 5.21 C ATOM 251 NH1 ARG A 56 -0.488 -1.274 -8.716 1.00 0.34 N ATOM 252 NH2 ARG A 56 -1.782 -1.478 -10.600 1.00 63.52 N ATOM 0 H ARG A 56 -4.252 0.656 -4.531 1.00 12.03 H new ATOM 0 HA ARG A 56 -3.835 2.776 -6.315 1.00 60.41 H new ATOM 0 HB2 ARG A 56 -4.192 -0.213 -6.557 1.00 54.50 H new ATOM 0 HB3 ARG A 56 -4.081 0.768 -8.005 1.00 54.50 H new ATOM 0 HG2 ARG A 56 -1.975 1.334 -6.004 1.00 14.34 H new ATOM 0 HG3 ARG A 56 -1.942 -0.301 -6.632 1.00 14.34 H new ATOM 0 HD2 ARG A 56 -1.940 2.244 -8.302 1.00 51.55 H new ATOM 0 HD3 ARG A 56 -0.549 1.225 -7.990 1.00 51.55 H new ATOM 0 HE ARG A 56 -2.684 0.738 -9.920 1.00 14.12 H new ATOM 0 HH11 ARG A 56 -0.203 -0.745 -7.892 1.00 0.34 H new ATOM 0 HH12 ARG A 56 -0.060 -2.178 -8.915 1.00 0.34 H new ATOM 0 HH21 ARG A 56 -2.495 -1.106 -11.228 1.00 63.52 H new ATOM 0 HH22 ARG A 56 -1.352 -2.382 -10.795 1.00 63.52 H new ATOM 266 N LYS A 57 -6.873 1.630 -6.228 1.00 64.11 N ATOM 267 CA LYS A 57 -8.231 1.836 -6.713 1.00 73.14 C ATOM 268 C LYS A 57 -8.904 2.988 -5.974 1.00 55.32 C ATOM 269 O LYS A 57 -9.857 3.588 -6.474 1.00 15.12 O ATOM 270 CB LYS A 57 -9.055 0.557 -6.544 1.00 54.51 C ATOM 271 CG LYS A 57 -9.671 0.409 -5.163 1.00 4.21 C ATOM 272 CD LYS A 57 -9.684 -1.041 -4.711 1.00 41.52 C ATOM 273 CE LYS A 57 -10.553 -1.900 -5.616 1.00 51.32 C ATOM 274 NZ LYS A 57 -11.964 -1.424 -5.645 1.00 44.10 N ATOM 0 H LYS A 57 -6.806 1.030 -5.406 1.00 64.11 H new ATOM 0 HA LYS A 57 -8.177 2.089 -7.772 1.00 73.14 H new ATOM 0 HB2 LYS A 57 -9.849 0.545 -7.290 1.00 54.51 H new ATOM 0 HB3 LYS A 57 -8.418 -0.305 -6.743 1.00 54.51 H new ATOM 0 HG2 LYS A 57 -9.110 1.009 -4.447 1.00 4.21 H new ATOM 0 HG3 LYS A 57 -10.690 0.797 -5.175 1.00 4.21 H new ATOM 0 HD2 LYS A 57 -8.666 -1.431 -4.706 1.00 41.52 H new ATOM 0 HD3 LYS A 57 -10.053 -1.101 -3.687 1.00 41.52 H new ATOM 0 HE2 LYS A 57 -10.146 -1.890 -6.627 1.00 51.32 H new ATOM 0 HE3 LYS A 57 -10.525 -2.934 -5.271 1.00 51.32 H new ATOM 0 HZ1 LYS A 57 -12.568 -2.155 -6.071 1.00 44.10 H new ATOM 0 HZ2 LYS A 57 -12.285 -1.231 -4.675 1.00 44.10 H new ATOM 0 HZ3 LYS A 57 -12.025 -0.553 -6.210 1.00 44.10 H new ATOM 288 N LEU A 58 -8.402 3.294 -4.783 1.00 55.13 N ATOM 289 CA LEU A 58 -8.954 4.377 -3.975 1.00 65.33 C ATOM 290 C LEU A 58 -8.849 5.711 -4.708 1.00 64.41 C ATOM 291 O LEU A 58 -9.571 6.658 -4.401 1.00 3.44 O ATOM 292 CB LEU A 58 -8.225 4.461 -2.633 1.00 55.00 C ATOM 293 CG LEU A 58 -8.841 3.662 -1.484 1.00 61.32 C ATOM 294 CD1 LEU A 58 -10.208 4.221 -1.119 1.00 22.13 C ATOM 295 CD2 LEU A 58 -8.946 2.190 -1.854 1.00 34.24 C ATOM 0 H LEU A 58 -7.614 2.808 -4.355 1.00 55.13 H new ATOM 0 HA LEU A 58 -10.008 4.163 -3.796 1.00 65.33 H new ATOM 0 HB2 LEU A 58 -7.200 4.120 -2.777 1.00 55.00 H new ATOM 0 HB3 LEU A 58 -8.174 5.508 -2.335 1.00 55.00 H new ATOM 0 HG LEU A 58 -8.190 3.751 -0.614 1.00 61.32 H new ATOM 0 HD11 LEU A 58 -10.632 3.640 -0.300 1.00 22.13 H new ATOM 0 HD12 LEU A 58 -10.105 5.262 -0.811 1.00 22.13 H new ATOM 0 HD13 LEU A 58 -10.868 4.162 -1.984 1.00 22.13 H new ATOM 0 HD21 LEU A 58 -9.387 1.637 -1.024 1.00 34.24 H new ATOM 0 HD22 LEU A 58 -9.575 2.081 -2.738 1.00 34.24 H new ATOM 0 HD23 LEU A 58 -7.952 1.796 -2.065 1.00 34.24 H new ATOM 307 N GLY A 59 -7.945 5.777 -5.681 1.00 70.51 N ATOM 308 CA GLY A 59 -7.764 6.997 -6.444 1.00 11.52 C ATOM 309 C GLY A 59 -6.392 7.611 -6.241 1.00 34.14 C ATOM 310 O GLY A 59 -6.191 8.798 -6.497 1.00 71.11 O ATOM 0 H GLY A 59 -7.335 5.007 -5.954 1.00 70.51 H new ATOM 0 HA2 GLY A 59 -7.910 6.784 -7.503 1.00 11.52 H new ATOM 0 HA3 GLY A 59 -8.528 7.719 -6.155 1.00 11.52 H new ATOM 314 N TYR A 60 -5.447 6.800 -5.776 1.00 75.03 N ATOM 315 CA TYR A 60 -4.089 7.271 -5.534 1.00 34.14 C ATOM 316 C TYR A 60 -3.185 6.965 -6.725 1.00 14.30 C ATOM 317 O TYR A 60 -3.633 6.421 -7.733 1.00 74.44 O ATOM 318 CB TYR A 60 -3.521 6.624 -4.269 1.00 64.33 C ATOM 319 CG TYR A 60 -3.999 7.273 -2.990 1.00 52.42 C ATOM 320 CD1 TYR A 60 -3.619 8.568 -2.660 1.00 24.05 C ATOM 321 CD2 TYR A 60 -4.833 6.592 -2.111 1.00 63.40 C ATOM 322 CE1 TYR A 60 -4.051 9.164 -1.492 1.00 54.30 C ATOM 323 CE2 TYR A 60 -5.272 7.181 -0.942 1.00 35.44 C ATOM 324 CZ TYR A 60 -4.879 8.467 -0.636 1.00 32.42 C ATOM 325 OH TYR A 60 -5.315 9.057 0.528 1.00 45.53 O ATOM 0 H TYR A 60 -5.597 5.815 -5.560 1.00 75.03 H new ATOM 0 HA TYR A 60 -4.125 8.352 -5.397 1.00 34.14 H new ATOM 0 HB2 TYR A 60 -3.795 5.569 -4.256 1.00 64.33 H new ATOM 0 HB3 TYR A 60 -2.433 6.670 -4.305 1.00 64.33 H new ATOM 0 HD1 TYR A 60 -2.974 9.118 -3.329 1.00 24.05 H new ATOM 0 HD2 TYR A 60 -5.143 5.585 -2.347 1.00 63.40 H new ATOM 0 HE1 TYR A 60 -3.743 10.170 -1.250 1.00 54.30 H new ATOM 0 HE2 TYR A 60 -5.920 6.637 -0.270 1.00 35.44 H new ATOM 0 HH TYR A 60 -5.891 8.432 1.016 1.00 45.53 H new ATOM 335 N SER A 61 -1.911 7.320 -6.599 1.00 23.31 N ATOM 336 CA SER A 61 -0.944 7.087 -7.664 1.00 64.13 C ATOM 337 C SER A 61 -0.069 5.878 -7.349 1.00 71.35 C ATOM 338 O SER A 61 0.386 5.704 -6.220 1.00 1.42 O ATOM 339 CB SER A 61 -0.068 8.325 -7.868 1.00 11.04 C ATOM 340 OG SER A 61 0.290 8.480 -9.230 1.00 21.54 O ATOM 0 H SER A 61 -1.524 7.770 -5.769 1.00 23.31 H new ATOM 0 HA SER A 61 -1.495 6.886 -8.583 1.00 64.13 H new ATOM 0 HB2 SER A 61 -0.602 9.212 -7.526 1.00 11.04 H new ATOM 0 HB3 SER A 61 0.833 8.241 -7.260 1.00 11.04 H new ATOM 0 HG SER A 61 0.848 9.279 -9.333 1.00 21.54 H new ATOM 346 N SER A 62 0.161 5.044 -8.359 1.00 21.53 N ATOM 347 CA SER A 62 0.978 3.847 -8.189 1.00 63.15 C ATOM 348 C SER A 62 2.353 4.202 -7.630 1.00 15.45 C ATOM 349 O SER A 62 2.866 3.524 -6.740 1.00 10.13 O ATOM 350 CB SER A 62 1.133 3.117 -9.525 1.00 72.31 C ATOM 351 OG SER A 62 1.924 3.869 -10.429 1.00 32.00 O ATOM 0 H SER A 62 -0.206 5.175 -9.302 1.00 21.53 H new ATOM 0 HA SER A 62 0.474 3.191 -7.479 1.00 63.15 H new ATOM 0 HB2 SER A 62 1.592 2.142 -9.359 1.00 72.31 H new ATOM 0 HB3 SER A 62 0.150 2.936 -9.960 1.00 72.31 H new ATOM 0 HG SER A 62 2.009 3.380 -11.274 1.00 32.00 H new ATOM 357 N SER A 63 2.942 5.271 -8.157 1.00 21.40 N ATOM 358 CA SER A 63 4.258 5.715 -7.714 1.00 22.32 C ATOM 359 C SER A 63 4.227 6.121 -6.243 1.00 60.40 C ATOM 360 O SER A 63 5.246 6.079 -5.555 1.00 71.41 O ATOM 361 CB SER A 63 4.738 6.888 -8.568 1.00 52.41 C ATOM 362 OG SER A 63 6.074 7.237 -8.252 1.00 2.45 O ATOM 0 H SER A 63 2.528 5.845 -8.891 1.00 21.40 H new ATOM 0 HA SER A 63 4.953 4.883 -7.829 1.00 22.32 H new ATOM 0 HB2 SER A 63 4.668 6.626 -9.624 1.00 52.41 H new ATOM 0 HB3 SER A 63 4.087 7.748 -8.409 1.00 52.41 H new ATOM 0 HG SER A 63 6.357 7.989 -8.813 1.00 2.45 H new ATOM 368 N GLU A 64 3.049 6.514 -5.769 1.00 60.25 N ATOM 369 CA GLU A 64 2.885 6.928 -4.381 1.00 13.43 C ATOM 370 C GLU A 64 2.753 5.717 -3.462 1.00 50.05 C ATOM 371 O GLU A 64 3.509 5.568 -2.502 1.00 43.03 O ATOM 372 CB GLU A 64 1.654 7.828 -4.235 1.00 64.34 C ATOM 373 CG GLU A 64 1.756 9.127 -5.016 1.00 54.24 C ATOM 374 CD GLU A 64 2.213 10.290 -4.157 1.00 35.44 C ATOM 375 OE1 GLU A 64 1.742 10.397 -3.004 1.00 72.52 O ATOM 376 OE2 GLU A 64 3.041 11.093 -4.636 1.00 21.14 O ATOM 0 H GLU A 64 2.195 6.554 -6.325 1.00 60.25 H new ATOM 0 HA GLU A 64 3.774 7.488 -4.090 1.00 13.43 H new ATOM 0 HB2 GLU A 64 0.772 7.281 -4.569 1.00 64.34 H new ATOM 0 HB3 GLU A 64 1.505 8.058 -3.180 1.00 64.34 H new ATOM 0 HG2 GLU A 64 2.453 8.995 -5.843 1.00 54.24 H new ATOM 0 HG3 GLU A 64 0.785 9.362 -5.452 1.00 54.24 H new ATOM 384 N ILE A 65 1.788 4.854 -3.765 1.00 4.43 N ATOM 385 CA ILE A 65 1.558 3.656 -2.968 1.00 5.02 C ATOM 386 C ILE A 65 2.762 2.721 -3.023 1.00 14.24 C ATOM 387 O ILE A 65 3.107 2.077 -2.030 1.00 44.42 O ATOM 388 CB ILE A 65 0.308 2.894 -3.445 1.00 4.00 C ATOM 389 CG1 ILE A 65 -0.928 3.793 -3.358 1.00 63.13 C ATOM 390 CG2 ILE A 65 0.111 1.631 -2.620 1.00 50.02 C ATOM 391 CD1 ILE A 65 -2.060 3.352 -4.260 1.00 5.01 C ATOM 0 H ILE A 65 1.154 4.963 -4.556 1.00 4.43 H new ATOM 0 HA ILE A 65 1.402 3.985 -1.941 1.00 5.02 H new ATOM 0 HB ILE A 65 0.451 2.605 -4.486 1.00 4.00 H new ATOM 0 HG12 ILE A 65 -1.282 3.812 -2.327 1.00 63.13 H new ATOM 0 HG13 ILE A 65 -0.644 4.813 -3.617 1.00 63.13 H new ATOM 0 HG21 ILE A 65 -0.777 1.103 -2.969 1.00 50.02 H new ATOM 0 HG22 ILE A 65 0.983 0.986 -2.728 1.00 50.02 H new ATOM 0 HG23 ILE A 65 -0.015 1.898 -1.571 1.00 50.02 H new ATOM 0 HD11 ILE A 65 -2.902 4.034 -4.147 1.00 5.01 H new ATOM 0 HD12 ILE A 65 -1.723 3.360 -5.297 1.00 5.01 H new ATOM 0 HD13 ILE A 65 -2.371 2.343 -3.987 1.00 5.01 H new ATOM 403 N HIS A 66 3.398 2.650 -4.187 1.00 44.31 N ATOM 404 CA HIS A 66 4.565 1.796 -4.371 1.00 24.42 C ATOM 405 C HIS A 66 5.784 2.382 -3.665 1.00 30.52 C ATOM 406 O HIS A 66 6.695 1.652 -3.271 1.00 1.34 O ATOM 407 CB HIS A 66 4.862 1.614 -5.860 1.00 34.34 C ATOM 408 CG HIS A 66 5.693 0.405 -6.162 1.00 32.31 C ATOM 409 ND1 HIS A 66 7.046 0.468 -6.423 1.00 12.10 N ATOM 410 CD2 HIS A 66 5.357 -0.904 -6.241 1.00 10.04 C ATOM 411 CE1 HIS A 66 7.505 -0.749 -6.652 1.00 70.42 C ATOM 412 NE2 HIS A 66 6.500 -1.600 -6.547 1.00 34.33 N ATOM 0 H HIS A 66 3.124 3.174 -5.018 1.00 44.31 H new ATOM 0 HA HIS A 66 4.345 0.823 -3.931 1.00 24.42 H new ATOM 0 HB2 HIS A 66 3.920 1.542 -6.404 1.00 34.34 H new ATOM 0 HB3 HIS A 66 5.377 2.500 -6.230 1.00 34.34 H new ATOM 0 HD2 HIS A 66 4.373 -1.323 -6.091 1.00 10.04 H new ATOM 0 HE1 HIS A 66 8.528 -1.005 -6.885 1.00 70.42 H new ATOM 0 HE2 HIS A 66 6.563 -2.610 -6.673 1.00 34.33 H new ATOM 421 N SER A 67 5.795 3.702 -3.511 1.00 61.31 N ATOM 422 CA SER A 67 6.904 4.386 -2.856 1.00 65.45 C ATOM 423 C SER A 67 6.884 4.139 -1.352 1.00 34.43 C ATOM 424 O SER A 67 7.824 3.578 -0.789 1.00 53.15 O ATOM 425 CB SER A 67 6.843 5.888 -3.141 1.00 4.15 C ATOM 426 OG SER A 67 7.740 6.601 -2.306 1.00 62.25 O ATOM 0 H SER A 67 5.049 4.319 -3.831 1.00 61.31 H new ATOM 0 HA SER A 67 7.834 3.985 -3.258 1.00 65.45 H new ATOM 0 HB2 SER A 67 7.089 6.074 -4.187 1.00 4.15 H new ATOM 0 HB3 SER A 67 5.827 6.251 -2.983 1.00 4.15 H new ATOM 0 HG SER A 67 7.684 7.558 -2.508 1.00 62.25 H new ATOM 432 N VAL A 68 5.803 4.563 -0.704 1.00 14.24 N ATOM 433 CA VAL A 68 5.657 4.388 0.737 1.00 72.14 C ATOM 434 C VAL A 68 5.865 2.932 1.137 1.00 42.34 C ATOM 435 O VAL A 68 6.401 2.643 2.208 1.00 23.40 O ATOM 436 CB VAL A 68 4.269 4.848 1.219 1.00 34.14 C ATOM 437 CG1 VAL A 68 4.092 6.342 0.995 1.00 61.44 C ATOM 438 CG2 VAL A 68 3.172 4.062 0.516 1.00 63.02 C ATOM 0 H VAL A 68 5.016 5.030 -1.154 1.00 14.24 H new ATOM 0 HA VAL A 68 6.421 5.004 1.211 1.00 72.14 H new ATOM 0 HB VAL A 68 4.194 4.654 2.289 1.00 34.14 H new ATOM 0 HG11 VAL A 68 3.105 6.648 1.342 1.00 61.44 H new ATOM 0 HG12 VAL A 68 4.856 6.886 1.550 1.00 61.44 H new ATOM 0 HG13 VAL A 68 4.188 6.564 -0.068 1.00 61.44 H new ATOM 0 HG21 VAL A 68 2.198 4.401 0.869 1.00 63.02 H new ATOM 0 HG22 VAL A 68 3.243 4.221 -0.560 1.00 63.02 H new ATOM 0 HG23 VAL A 68 3.288 3.000 0.734 1.00 63.02 H new ATOM 448 N LEU A 69 5.440 2.019 0.271 1.00 13.10 N ATOM 449 CA LEU A 69 5.581 0.591 0.534 1.00 63.21 C ATOM 450 C LEU A 69 7.010 0.127 0.268 1.00 53.24 C ATOM 451 O LEU A 69 7.508 -0.786 0.926 1.00 41.41 O ATOM 452 CB LEU A 69 4.603 -0.206 -0.332 1.00 63.20 C ATOM 453 CG LEU A 69 3.256 -0.538 0.309 1.00 1.43 C ATOM 454 CD1 LEU A 69 3.429 -1.575 1.410 1.00 40.35 C ATOM 455 CD2 LEU A 69 2.602 0.722 0.859 1.00 23.25 C ATOM 0 H LEU A 69 4.995 2.242 -0.619 1.00 13.10 H new ATOM 0 HA LEU A 69 5.352 0.415 1.585 1.00 63.21 H new ATOM 0 HB2 LEU A 69 4.418 0.356 -1.247 1.00 63.20 H new ATOM 0 HB3 LEU A 69 5.084 -1.140 -0.623 1.00 63.20 H new ATOM 0 HG LEU A 69 2.604 -0.957 -0.458 1.00 1.43 H new ATOM 0 HD11 LEU A 69 2.459 -1.799 1.855 1.00 40.35 H new ATOM 0 HD12 LEU A 69 3.854 -2.486 0.988 1.00 40.35 H new ATOM 0 HD13 LEU A 69 4.098 -1.184 2.176 1.00 40.35 H new ATOM 0 HD21 LEU A 69 1.644 0.467 1.312 1.00 23.25 H new ATOM 0 HD22 LEU A 69 3.251 1.170 1.611 1.00 23.25 H new ATOM 0 HD23 LEU A 69 2.442 1.433 0.048 1.00 23.25 H new ATOM 467 N GLN A 70 7.662 0.762 -0.700 1.00 71.14 N ATOM 468 CA GLN A 70 9.034 0.415 -1.052 1.00 51.15 C ATOM 469 C GLN A 70 9.980 0.685 0.113 1.00 15.43 C ATOM 470 O GLN A 70 11.030 0.054 0.234 1.00 73.33 O ATOM 471 CB GLN A 70 9.482 1.204 -2.283 1.00 60.02 C ATOM 472 CG GLN A 70 10.965 1.062 -2.590 1.00 34.05 C ATOM 473 CD GLN A 70 11.382 1.839 -3.822 1.00 40.23 C ATOM 474 OE1 GLN A 70 11.464 3.067 -3.798 1.00 11.44 O ATOM 475 NE2 GLN A 70 11.651 1.126 -4.910 1.00 71.42 N ATOM 0 H GLN A 70 7.263 1.519 -1.255 1.00 71.14 H new ATOM 0 HA GLN A 70 9.065 -0.650 -1.281 1.00 51.15 H new ATOM 0 HB2 GLN A 70 8.907 0.871 -3.147 1.00 60.02 H new ATOM 0 HB3 GLN A 70 9.250 2.258 -2.133 1.00 60.02 H new ATOM 0 HG2 GLN A 70 11.544 1.408 -1.734 1.00 34.05 H new ATOM 0 HG3 GLN A 70 11.204 0.008 -2.732 1.00 34.05 H new ATOM 0 HE21 GLN A 70 11.570 0.109 -4.886 1.00 71.42 H new ATOM 0 HE22 GLN A 70 11.938 1.595 -5.769 1.00 71.42 H new ATOM 484 N LYS A 71 9.601 1.629 0.969 1.00 33.53 N ATOM 485 CA LYS A 71 10.414 1.983 2.126 1.00 24.41 C ATOM 486 C LYS A 71 9.893 1.301 3.387 1.00 42.31 C ATOM 487 O LYS A 71 10.671 0.808 4.205 1.00 34.14 O ATOM 488 CB LYS A 71 10.427 3.500 2.321 1.00 14.20 C ATOM 489 CG LYS A 71 11.534 3.987 3.239 1.00 22.25 C ATOM 490 CD LYS A 71 12.896 3.880 2.576 1.00 62.03 C ATOM 491 CE LYS A 71 13.145 5.041 1.624 1.00 21.30 C ATOM 492 NZ LYS A 71 13.473 6.296 2.353 1.00 4.13 N ATOM 0 H LYS A 71 8.736 2.162 0.883 1.00 33.53 H new ATOM 0 HA LYS A 71 11.432 1.638 1.943 1.00 24.41 H new ATOM 0 HB2 LYS A 71 10.535 3.982 1.349 1.00 14.20 H new ATOM 0 HB3 LYS A 71 9.465 3.814 2.727 1.00 14.20 H new ATOM 0 HG2 LYS A 71 11.345 5.023 3.520 1.00 22.25 H new ATOM 0 HG3 LYS A 71 11.529 3.402 4.159 1.00 22.25 H new ATOM 0 HD2 LYS A 71 13.673 3.861 3.340 1.00 62.03 H new ATOM 0 HD3 LYS A 71 12.963 2.939 2.030 1.00 62.03 H new ATOM 0 HE2 LYS A 71 13.963 4.788 0.950 1.00 21.30 H new ATOM 0 HE3 LYS A 71 12.261 5.200 1.007 1.00 21.30 H new ATOM 0 HZ1 LYS A 71 13.783 7.021 1.675 1.00 4.13 H new ATOM 0 HZ2 LYS A 71 12.630 6.634 2.859 1.00 4.13 H new ATOM 0 HZ3 LYS A 71 14.236 6.112 3.036 1.00 4.13 H new ATOM 506 N LEU A 72 8.573 1.277 3.538 1.00 23.55 N ATOM 507 CA LEU A 72 7.948 0.654 4.700 1.00 11.41 C ATOM 508 C LEU A 72 8.151 -0.857 4.683 1.00 64.12 C ATOM 509 O LEU A 72 8.713 -1.428 5.617 1.00 22.02 O ATOM 510 CB LEU A 72 6.453 0.978 4.734 1.00 51.42 C ATOM 511 CG LEU A 72 6.075 2.343 5.311 1.00 20.33 C ATOM 512 CD1 LEU A 72 4.826 2.882 4.631 1.00 2.53 C ATOM 513 CD2 LEU A 72 5.866 2.245 6.816 1.00 72.32 C ATOM 0 H LEU A 72 7.915 1.681 2.871 1.00 23.55 H new ATOM 0 HA LEU A 72 8.422 1.056 5.596 1.00 11.41 H new ATOM 0 HB2 LEU A 72 6.065 0.916 3.717 1.00 51.42 H new ATOM 0 HB3 LEU A 72 5.948 0.207 5.316 1.00 51.42 H new ATOM 0 HG LEU A 72 6.894 3.037 5.122 1.00 20.33 H new ATOM 0 HD11 LEU A 72 4.572 3.854 5.054 1.00 2.53 H new ATOM 0 HD12 LEU A 72 5.011 2.989 3.562 1.00 2.53 H new ATOM 0 HD13 LEU A 72 3.999 2.190 4.789 1.00 2.53 H new ATOM 0 HD21 LEU A 72 5.598 3.225 7.211 1.00 72.32 H new ATOM 0 HD22 LEU A 72 5.064 1.537 7.027 1.00 72.32 H new ATOM 0 HD23 LEU A 72 6.786 1.903 7.290 1.00 72.32 H new ATOM 525 N GLY A 73 7.694 -1.499 3.613 1.00 35.43 N ATOM 526 CA GLY A 73 7.836 -2.939 3.494 1.00 44.50 C ATOM 527 C GLY A 73 6.601 -3.685 3.957 1.00 3.34 C ATOM 528 O GLY A 73 5.478 -3.318 3.610 1.00 61.14 O ATOM 0 H GLY A 73 7.228 -1.048 2.826 1.00 35.43 H new ATOM 0 HA2 GLY A 73 8.043 -3.196 2.455 1.00 44.50 H new ATOM 0 HA3 GLY A 73 8.695 -3.266 4.080 1.00 44.50 H new ATOM 532 N VAL A 74 6.807 -4.737 4.743 1.00 22.32 N ATOM 533 CA VAL A 74 5.701 -5.538 5.254 1.00 41.41 C ATOM 534 C VAL A 74 5.329 -5.120 6.673 1.00 65.32 C ATOM 535 O VAL A 74 4.224 -5.392 7.140 1.00 13.23 O ATOM 536 CB VAL A 74 6.044 -7.040 5.247 1.00 51.43 C ATOM 537 CG1 VAL A 74 4.850 -7.863 5.704 1.00 11.40 C ATOM 538 CG2 VAL A 74 6.503 -7.473 3.863 1.00 60.23 C ATOM 0 H VAL A 74 7.730 -5.054 5.040 1.00 22.32 H new ATOM 0 HA VAL A 74 4.853 -5.364 4.592 1.00 41.41 H new ATOM 0 HB VAL A 74 6.861 -7.212 5.947 1.00 51.43 H new ATOM 0 HG11 VAL A 74 5.112 -8.921 5.692 1.00 11.40 H new ATOM 0 HG12 VAL A 74 4.571 -7.569 6.716 1.00 11.40 H new ATOM 0 HG13 VAL A 74 4.010 -7.690 5.032 1.00 11.40 H new ATOM 0 HG21 VAL A 74 6.741 -8.537 3.875 1.00 60.23 H new ATOM 0 HG22 VAL A 74 5.707 -7.288 3.141 1.00 60.23 H new ATOM 0 HG23 VAL A 74 7.389 -6.906 3.580 1.00 60.23 H new ATOM 548 N GLN A 75 6.261 -4.457 7.351 1.00 74.04 N ATOM 549 CA GLN A 75 6.031 -4.002 8.717 1.00 14.30 C ATOM 550 C GLN A 75 4.949 -2.927 8.757 1.00 32.02 C ATOM 551 O GLN A 75 4.303 -2.721 9.784 1.00 34.33 O ATOM 552 CB GLN A 75 7.327 -3.460 9.321 1.00 10.12 C ATOM 553 CG GLN A 75 8.419 -4.509 9.458 1.00 44.30 C ATOM 554 CD GLN A 75 9.752 -3.913 9.866 1.00 21.04 C ATOM 555 OE1 GLN A 75 9.837 -2.735 10.217 1.00 3.01 O ATOM 556 NE2 GLN A 75 10.801 -4.724 9.823 1.00 22.32 N ATOM 0 H GLN A 75 7.181 -4.223 6.977 1.00 74.04 H new ATOM 0 HA GLN A 75 5.693 -4.855 9.306 1.00 14.30 H new ATOM 0 HB2 GLN A 75 7.695 -2.644 8.699 1.00 10.12 H new ATOM 0 HB3 GLN A 75 7.112 -3.040 10.304 1.00 10.12 H new ATOM 0 HG2 GLN A 75 8.115 -5.250 10.197 1.00 44.30 H new ATOM 0 HG3 GLN A 75 8.535 -5.034 8.510 1.00 44.30 H new ATOM 0 HE21 GLN A 75 10.685 -5.693 9.526 1.00 22.32 H new ATOM 0 HE22 GLN A 75 11.724 -4.379 10.087 1.00 22.32 H new ATOM 565 N ALA A 76 4.757 -2.245 7.633 1.00 31.33 N ATOM 566 CA ALA A 76 3.752 -1.193 7.540 1.00 64.31 C ATOM 567 C ALA A 76 2.392 -1.688 8.019 1.00 21.14 C ATOM 568 O ALA A 76 2.198 -2.885 8.236 1.00 3.25 O ATOM 569 CB ALA A 76 3.656 -0.681 6.110 1.00 12.34 C ATOM 0 H ALA A 76 5.284 -2.402 6.774 1.00 31.33 H new ATOM 0 HA ALA A 76 4.059 -0.373 8.189 1.00 64.31 H new ATOM 0 HB1 ALA A 76 2.902 0.104 6.054 1.00 12.34 H new ATOM 0 HB2 ALA A 76 4.621 -0.279 5.802 1.00 12.34 H new ATOM 0 HB3 ALA A 76 3.376 -1.501 5.448 1.00 12.34 H new ATOM 575 N ASP A 77 1.454 -0.762 8.182 1.00 22.20 N ATOM 576 CA ASP A 77 0.111 -1.105 8.636 1.00 11.24 C ATOM 577 C ASP A 77 -0.937 -0.261 7.918 1.00 52.11 C ATOM 578 O ASP A 77 -0.625 0.787 7.352 1.00 11.21 O ATOM 579 CB ASP A 77 -0.006 -0.907 10.148 1.00 23.23 C ATOM 580 CG ASP A 77 1.285 -1.230 10.875 1.00 1.40 C ATOM 581 OD1 ASP A 77 1.585 -2.429 11.049 1.00 21.44 O ATOM 582 OD2 ASP A 77 1.996 -0.282 11.271 1.00 52.12 O ATOM 0 H ASP A 77 1.599 0.232 8.007 1.00 22.20 H new ATOM 0 HA ASP A 77 -0.069 -2.154 8.400 1.00 11.24 H new ATOM 0 HB2 ASP A 77 -0.288 0.125 10.356 1.00 23.23 H new ATOM 0 HB3 ASP A 77 -0.805 -1.540 10.534 1.00 23.23 H new ATOM 588 N THR A 78 -2.183 -0.725 7.943 1.00 22.32 N ATOM 589 CA THR A 78 -3.277 -0.015 7.293 1.00 23.43 C ATOM 590 C THR A 78 -3.321 1.444 7.729 1.00 42.54 C ATOM 591 O THR A 78 -3.743 2.316 6.970 1.00 22.33 O ATOM 592 CB THR A 78 -4.635 -0.673 7.603 1.00 53.24 C ATOM 593 OG1 THR A 78 -4.565 -2.082 7.357 1.00 13.00 O ATOM 594 CG2 THR A 78 -5.738 -0.059 6.753 1.00 34.31 C ATOM 0 H THR A 78 -2.459 -1.590 8.407 1.00 22.32 H new ATOM 0 HA THR A 78 -3.093 -0.065 6.220 1.00 23.43 H new ATOM 0 HB THR A 78 -4.867 -0.500 8.654 1.00 53.24 H new ATOM 0 HG1 THR A 78 -5.432 -2.493 7.558 1.00 13.00 H new ATOM 0 HG21 THR A 78 -6.688 -0.539 6.988 1.00 34.31 H new ATOM 0 HG22 THR A 78 -5.808 1.008 6.963 1.00 34.31 H new ATOM 0 HG23 THR A 78 -5.509 -0.206 5.698 1.00 34.31 H new ATOM 602 N ASN A 79 -2.880 1.704 8.955 1.00 3.24 N ATOM 603 CA ASN A 79 -2.869 3.061 9.492 1.00 33.23 C ATOM 604 C ASN A 79 -1.669 3.843 8.968 1.00 30.05 C ATOM 605 O ASN A 79 -1.816 4.936 8.421 1.00 11.20 O ATOM 606 CB ASN A 79 -2.841 3.026 11.021 1.00 11.15 C ATOM 607 CG ASN A 79 -3.671 1.890 11.590 1.00 51.35 C ATOM 608 OD1 ASN A 79 -3.278 0.726 11.521 1.00 15.13 O ATOM 609 ND2 ASN A 79 -4.825 2.227 12.154 1.00 53.01 N ATOM 0 H ASN A 79 -2.526 0.994 9.596 1.00 3.24 H new ATOM 0 HA ASN A 79 -3.779 3.563 9.163 1.00 33.23 H new ATOM 0 HB2 ASN A 79 -1.810 2.924 11.360 1.00 11.15 H new ATOM 0 HB3 ASN A 79 -3.213 3.974 11.410 1.00 11.15 H new ATOM 0 HD21 ASN A 79 -5.427 1.507 12.553 1.00 53.01 H new ATOM 0 HD22 ASN A 79 -5.109 3.206 12.188 1.00 53.01 H new ATOM 616 N THR A 80 -0.479 3.275 9.139 1.00 2.31 N ATOM 617 CA THR A 80 0.747 3.919 8.684 1.00 3.43 C ATOM 618 C THR A 80 0.643 4.328 7.220 1.00 43.24 C ATOM 619 O THR A 80 0.991 5.451 6.852 1.00 70.22 O ATOM 620 CB THR A 80 1.967 2.995 8.861 1.00 33.20 C ATOM 621 OG1 THR A 80 2.111 2.633 10.240 1.00 41.13 O ATOM 622 CG2 THR A 80 3.237 3.674 8.374 1.00 52.31 C ATOM 0 H THR A 80 -0.338 2.371 9.589 1.00 2.31 H new ATOM 0 HA THR A 80 0.882 4.809 9.299 1.00 3.43 H new ATOM 0 HB THR A 80 1.804 2.097 8.265 1.00 33.20 H new ATOM 0 HG1 THR A 80 2.055 1.659 10.330 1.00 41.13 H new ATOM 0 HG21 THR A 80 4.084 3.002 8.510 1.00 52.31 H new ATOM 0 HG22 THR A 80 3.135 3.921 7.317 1.00 52.31 H new ATOM 0 HG23 THR A 80 3.404 4.587 8.946 1.00 52.31 H new ATOM 630 N VAL A 81 0.160 3.412 6.386 1.00 10.13 N ATOM 631 CA VAL A 81 0.008 3.679 4.961 1.00 63.31 C ATOM 632 C VAL A 81 -0.764 4.971 4.723 1.00 45.23 C ATOM 633 O VAL A 81 -0.288 5.874 4.034 1.00 71.21 O ATOM 634 CB VAL A 81 -0.717 2.521 4.249 1.00 51.35 C ATOM 635 CG1 VAL A 81 -0.781 2.774 2.750 1.00 70.14 C ATOM 636 CG2 VAL A 81 -0.028 1.198 4.545 1.00 61.22 C ATOM 0 H VAL A 81 -0.133 2.478 6.673 1.00 10.13 H new ATOM 0 HA VAL A 81 1.012 3.779 4.548 1.00 63.31 H new ATOM 0 HB VAL A 81 -1.737 2.466 4.629 1.00 51.35 H new ATOM 0 HG11 VAL A 81 -1.296 1.946 2.263 1.00 70.14 H new ATOM 0 HG12 VAL A 81 -1.323 3.701 2.560 1.00 70.14 H new ATOM 0 HG13 VAL A 81 0.230 2.857 2.351 1.00 70.14 H new ATOM 0 HG21 VAL A 81 -0.554 0.392 4.034 1.00 61.22 H new ATOM 0 HG22 VAL A 81 1.003 1.238 4.194 1.00 61.22 H new ATOM 0 HG23 VAL A 81 -0.039 1.014 5.619 1.00 61.22 H new ATOM 646 N LEU A 82 -1.958 5.055 5.299 1.00 73.23 N ATOM 647 CA LEU A 82 -2.798 6.238 5.150 1.00 20.23 C ATOM 648 C LEU A 82 -2.029 7.502 5.523 1.00 23.40 C ATOM 649 O LEU A 82 -2.005 8.472 4.767 1.00 21.05 O ATOM 650 CB LEU A 82 -4.049 6.113 6.021 1.00 50.20 C ATOM 651 CG LEU A 82 -4.912 4.873 5.783 1.00 22.10 C ATOM 652 CD1 LEU A 82 -5.660 4.491 7.051 1.00 22.24 C ATOM 653 CD2 LEU A 82 -5.886 5.113 4.639 1.00 25.51 C ATOM 0 H LEU A 82 -2.366 4.318 5.874 1.00 73.23 H new ATOM 0 HA LEU A 82 -3.097 6.312 4.104 1.00 20.23 H new ATOM 0 HB2 LEU A 82 -3.742 6.122 7.067 1.00 50.20 H new ATOM 0 HB3 LEU A 82 -4.667 6.997 5.863 1.00 50.20 H new ATOM 0 HG LEU A 82 -4.257 4.046 5.509 1.00 22.10 H new ATOM 0 HD11 LEU A 82 -6.269 3.607 6.862 1.00 22.24 H new ATOM 0 HD12 LEU A 82 -4.945 4.276 7.845 1.00 22.24 H new ATOM 0 HD13 LEU A 82 -6.304 5.316 7.356 1.00 22.24 H new ATOM 0 HD21 LEU A 82 -6.492 4.220 4.484 1.00 25.51 H new ATOM 0 HD22 LEU A 82 -6.535 5.954 4.884 1.00 25.51 H new ATOM 0 HD23 LEU A 82 -5.330 5.337 3.729 1.00 25.51 H new ATOM 665 N GLY A 83 -1.400 7.481 6.695 1.00 51.43 N ATOM 666 CA GLY A 83 -0.637 8.630 7.147 1.00 41.41 C ATOM 667 C GLY A 83 0.391 9.081 6.128 1.00 33.11 C ATOM 668 O GLY A 83 0.490 10.269 5.822 1.00 62.40 O ATOM 0 H GLY A 83 -1.405 6.690 7.339 1.00 51.43 H new ATOM 0 HA2 GLY A 83 -1.318 9.454 7.360 1.00 41.41 H new ATOM 0 HA3 GLY A 83 -0.133 8.383 8.082 1.00 41.41 H new ATOM 672 N GLU A 84 1.157 8.131 5.602 1.00 42.14 N ATOM 673 CA GLU A 84 2.183 8.439 4.613 1.00 21.32 C ATOM 674 C GLU A 84 1.603 9.254 3.461 1.00 15.35 C ATOM 675 O GLU A 84 2.242 10.177 2.955 1.00 4.23 O ATOM 676 CB GLU A 84 2.808 7.150 4.075 1.00 31.34 C ATOM 677 CG GLU A 84 3.537 6.339 5.133 1.00 32.23 C ATOM 678 CD GLU A 84 4.945 6.842 5.386 1.00 34.31 C ATOM 679 OE1 GLU A 84 5.394 7.742 4.646 1.00 25.04 O ATOM 680 OE2 GLU A 84 5.597 6.335 6.324 1.00 52.44 O ATOM 0 H GLU A 84 1.087 7.143 5.844 1.00 42.14 H new ATOM 0 HA GLU A 84 2.955 9.033 5.103 1.00 21.32 H new ATOM 0 HB2 GLU A 84 2.025 6.534 3.632 1.00 31.34 H new ATOM 0 HB3 GLU A 84 3.506 7.401 3.276 1.00 31.34 H new ATOM 0 HG2 GLU A 84 2.971 6.371 6.064 1.00 32.23 H new ATOM 0 HG3 GLU A 84 3.579 5.295 4.821 1.00 32.23 H new ATOM 688 N LEU A 85 0.388 8.908 3.053 1.00 33.24 N ATOM 689 CA LEU A 85 -0.281 9.607 1.961 1.00 41.33 C ATOM 690 C LEU A 85 -0.879 10.924 2.443 1.00 11.42 C ATOM 691 O LEU A 85 -0.995 11.882 1.678 1.00 11.00 O ATOM 692 CB LEU A 85 -1.377 8.725 1.360 1.00 54.23 C ATOM 693 CG LEU A 85 -0.968 7.297 0.998 1.00 45.44 C ATOM 694 CD1 LEU A 85 -2.191 6.459 0.666 1.00 72.12 C ATOM 695 CD2 LEU A 85 0.010 7.303 -0.169 1.00 33.20 C ATOM 0 H LEU A 85 -0.155 8.147 3.462 1.00 33.24 H new ATOM 0 HA LEU A 85 0.462 9.826 1.194 1.00 41.33 H new ATOM 0 HB2 LEU A 85 -2.204 8.676 2.068 1.00 54.23 H new ATOM 0 HB3 LEU A 85 -1.755 9.212 0.461 1.00 54.23 H new ATOM 0 HG LEU A 85 -0.472 6.852 1.860 1.00 45.44 H new ATOM 0 HD11 LEU A 85 -1.880 5.446 0.411 1.00 72.12 H new ATOM 0 HD12 LEU A 85 -2.856 6.428 1.529 1.00 72.12 H new ATOM 0 HD13 LEU A 85 -2.716 6.901 -0.181 1.00 72.12 H new ATOM 0 HD21 LEU A 85 0.291 6.279 -0.414 1.00 33.20 H new ATOM 0 HD22 LEU A 85 -0.461 7.767 -1.036 1.00 33.20 H new ATOM 0 HD23 LEU A 85 0.901 7.868 0.106 1.00 33.20 H new ATOM 707 N VAL A 86 -1.255 10.967 3.718 1.00 54.24 N ATOM 708 CA VAL A 86 -1.838 12.168 4.303 1.00 2.12 C ATOM 709 C VAL A 86 -0.790 13.262 4.471 1.00 23.54 C ATOM 710 O VAL A 86 -1.089 14.449 4.343 1.00 5.02 O ATOM 711 CB VAL A 86 -2.479 11.871 5.672 1.00 44.00 C ATOM 712 CG1 VAL A 86 -3.054 13.141 6.279 1.00 0.21 C ATOM 713 CG2 VAL A 86 -3.553 10.801 5.536 1.00 41.34 C ATOM 0 H VAL A 86 -1.166 10.183 4.365 1.00 54.24 H new ATOM 0 HA VAL A 86 -2.611 12.512 3.615 1.00 2.12 H new ATOM 0 HB VAL A 86 -1.706 11.495 6.342 1.00 44.00 H new ATOM 0 HG11 VAL A 86 -3.503 12.912 7.246 1.00 0.21 H new ATOM 0 HG12 VAL A 86 -2.258 13.873 6.413 1.00 0.21 H new ATOM 0 HG13 VAL A 86 -3.815 13.550 5.614 1.00 0.21 H new ATOM 0 HG21 VAL A 86 -3.995 10.603 6.512 1.00 41.34 H new ATOM 0 HG22 VAL A 86 -4.327 11.147 4.850 1.00 41.34 H new ATOM 0 HG23 VAL A 86 -3.107 9.885 5.148 1.00 41.34 H new ATOM 723 N LYS A 87 0.442 12.854 4.760 1.00 73.44 N ATOM 724 CA LYS A 87 1.537 13.798 4.944 1.00 20.12 C ATOM 725 C LYS A 87 2.296 14.013 3.639 1.00 2.13 C ATOM 726 O LYS A 87 2.471 15.147 3.191 1.00 72.34 O ATOM 727 CB LYS A 87 2.495 13.294 6.027 1.00 62.45 C ATOM 728 CG LYS A 87 2.113 13.730 7.430 1.00 51.45 C ATOM 729 CD LYS A 87 3.336 13.894 8.316 1.00 52.25 C ATOM 730 CE LYS A 87 2.945 14.166 9.761 1.00 50.32 C ATOM 731 NZ LYS A 87 2.569 12.917 10.479 1.00 42.33 N ATOM 0 H LYS A 87 0.706 11.875 4.872 1.00 73.44 H new ATOM 0 HA LYS A 87 1.113 14.752 5.258 1.00 20.12 H new ATOM 0 HB2 LYS A 87 2.529 12.205 5.991 1.00 62.45 H new ATOM 0 HB3 LYS A 87 3.500 13.652 5.806 1.00 62.45 H new ATOM 0 HG2 LYS A 87 1.568 14.673 7.383 1.00 51.45 H new ATOM 0 HG3 LYS A 87 1.440 12.994 7.870 1.00 51.45 H new ATOM 0 HD2 LYS A 87 3.946 12.992 8.267 1.00 52.25 H new ATOM 0 HD3 LYS A 87 3.949 14.714 7.943 1.00 52.25 H new ATOM 0 HE2 LYS A 87 3.776 14.646 10.278 1.00 50.32 H new ATOM 0 HE3 LYS A 87 2.109 14.865 9.785 1.00 50.32 H new ATOM 0 HZ1 LYS A 87 2.309 13.145 11.460 1.00 42.33 H new ATOM 0 HZ2 LYS A 87 1.760 12.472 10.001 1.00 42.33 H new ATOM 0 HZ3 LYS A 87 3.375 12.260 10.478 1.00 42.33 H new ATOM 745 N HIS A 88 2.744 12.918 3.032 1.00 3.53 N ATOM 746 CA HIS A 88 3.483 12.988 1.777 1.00 2.21 C ATOM 747 C HIS A 88 2.534 13.189 0.599 1.00 42.13 C ATOM 748 O HIS A 88 2.219 12.245 -0.125 1.00 43.33 O ATOM 749 CB HIS A 88 4.305 11.715 1.573 1.00 22.30 C ATOM 750 CG HIS A 88 5.390 11.860 0.551 1.00 11.11 C ATOM 751 ND1 HIS A 88 6.476 12.693 0.719 1.00 30.35 N ATOM 752 CD2 HIS A 88 5.554 11.271 -0.657 1.00 1.13 C ATOM 753 CE1 HIS A 88 7.259 12.611 -0.341 1.00 41.54 C ATOM 754 NE2 HIS A 88 6.722 11.755 -1.191 1.00 63.33 N ATOM 0 H HIS A 88 2.608 11.972 3.389 1.00 3.53 H new ATOM 0 HA HIS A 88 4.158 13.843 1.828 1.00 2.21 H new ATOM 0 HB2 HIS A 88 4.750 11.423 2.524 1.00 22.30 H new ATOM 0 HB3 HIS A 88 3.639 10.907 1.272 1.00 22.30 H new ATOM 0 HD2 HIS A 88 4.889 10.554 -1.115 1.00 1.13 H new ATOM 0 HE1 HIS A 88 8.182 13.152 -0.488 1.00 41.54 H new ATOM 0 HE2 HIS A 88 7.112 11.496 -2.097 1.00 63.33 H new ATOM 763 N GLY A 89 2.081 14.425 0.415 1.00 10.31 N ATOM 764 CA GLY A 89 1.172 14.727 -0.676 1.00 34.31 C ATOM 765 C GLY A 89 1.388 16.116 -1.242 1.00 51.45 C ATOM 766 O GLY A 89 1.490 17.089 -0.497 1.00 14.45 O ATOM 0 H GLY A 89 2.327 15.223 1.001 1.00 10.31 H new ATOM 0 HA2 GLY A 89 1.303 13.990 -1.469 1.00 34.31 H new ATOM 0 HA3 GLY A 89 0.144 14.637 -0.324 1.00 34.31 H new TER 770 GLY A 89