USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 632 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 27 ASN : amide:sc= -0.185 K(o=-0.18,f=-3.5!) USER MOD Set 1.2: A 40 MET CE :methyl 176:sc= 0 (180deg=-0.0219) USER MOD Set 2.1: A 11 GLN : amide:sc= 0.469 K(o=1.1,f=-0.14) USER MOD Set 2.2: A 15 ASN : amide:sc= 0.611 K(o=1.1,f=-0.14) USER MOD Single : A 9 MET CE :methyl -168:sc= 0 (180deg=-0.177) USER MOD Single : A 10 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=-0.5) USER MOD Single : A 13 SER OG : rot 71:sc= 0.189 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 21 THR OG1 : rot 74:sc= 0.101 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -83:sc= 1.16 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.112 K(o=0.11,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -45:sc= 0.638 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 2:sc= 0.291 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00792 X(o=-0.0079,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 65 MET CE :methyl -175:sc= -0.0253 (180deg=-0.101) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -126:sc=-0.00245 (180deg=-0.796) USER MOD Single : A 74 SER OG : rot 77:sc= 0.47 USER MOD Single : A 75 THR OG1 : rot 64:sc= 0.262 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 91:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 7 13.660 6.023 14.157 1.00 0.00 N ATOM 94 CA ILE A 7 13.543 4.990 13.134 1.00 0.00 C ATOM 95 C ILE A 7 14.000 5.506 11.744 1.00 0.00 C ATOM 96 O ILE A 7 13.578 6.596 11.336 1.00 0.00 O ATOM 97 CB ILE A 7 12.100 4.430 13.236 1.00 0.00 C ATOM 98 CG1 ILE A 7 11.986 2.976 12.759 1.00 0.00 C ATOM 99 CG2 ILE A 7 11.018 5.346 12.640 1.00 0.00 C ATOM 100 CD1 ILE A 7 11.938 2.811 11.243 1.00 0.00 C ATOM 0 HA ILE A 7 14.225 4.155 13.292 1.00 0.00 H new ATOM 0 HB ILE A 7 11.887 4.417 14.305 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.834 2.412 13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.087 2.535 13.189 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.041 4.877 12.754 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.024 6.303 13.161 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.221 5.508 11.581 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.857 1.753 10.995 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.074 3.344 10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.849 3.218 10.804 1.00 0.00 H new ATOM 112 N PRO A 8 14.884 4.784 11.021 1.00 0.00 N ATOM 113 CA PRO A 8 15.436 5.222 9.734 1.00 0.00 C ATOM 114 C PRO A 8 14.384 5.407 8.634 1.00 0.00 C ATOM 115 O PRO A 8 13.542 4.531 8.419 1.00 0.00 O ATOM 116 CB PRO A 8 16.457 4.158 9.330 1.00 0.00 C ATOM 117 CG PRO A 8 16.860 3.520 10.655 1.00 0.00 C ATOM 118 CD PRO A 8 15.570 3.571 11.452 1.00 0.00 C ATOM 0 HA PRO A 8 15.882 6.210 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.024 3.426 8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.314 4.599 8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.214 2.498 10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.661 4.074 11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.959 2.688 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.773 3.596 12.523 1.00 0.00 H new ATOM 126 N MET A 9 14.478 6.491 7.861 1.00 0.00 N ATOM 127 CA MET A 9 13.621 6.706 6.688 1.00 0.00 C ATOM 128 C MET A 9 13.806 5.610 5.626 1.00 0.00 C ATOM 129 O MET A 9 12.833 5.220 4.986 1.00 0.00 O ATOM 130 CB MET A 9 13.811 8.115 6.099 1.00 0.00 C ATOM 131 CG MET A 9 15.222 8.409 5.569 1.00 0.00 C ATOM 132 SD MET A 9 15.397 9.945 4.627 1.00 0.00 S ATOM 133 CE MET A 9 14.473 9.523 3.122 1.00 0.00 C ATOM 0 H MET A 9 15.147 7.243 8.028 1.00 0.00 H new ATOM 0 HA MET A 9 12.589 6.636 7.031 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.097 8.253 5.287 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.566 8.850 6.866 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.909 8.442 6.414 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.534 7.578 4.937 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.662 10.275 2.356 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.795 8.547 2.759 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.407 9.494 3.346 1.00 0.00 H new ATOM 143 N HIS A 10 15.005 5.024 5.500 1.00 0.00 N ATOM 144 CA HIS A 10 15.234 3.873 4.622 1.00 0.00 C ATOM 145 C HIS A 10 14.401 2.654 5.050 1.00 0.00 C ATOM 146 O HIS A 10 13.801 1.984 4.206 1.00 0.00 O ATOM 147 CB HIS A 10 16.739 3.562 4.513 1.00 0.00 C ATOM 148 CG HIS A 10 17.456 3.030 5.740 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.289 1.797 6.341 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.538 3.610 6.349 1.00 0.00 C ATOM 151 CE1 HIS A 10 18.212 1.665 7.308 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.007 2.747 7.347 1.00 0.00 N ATOM 0 H HIS A 10 15.837 5.334 6.002 1.00 0.00 H new ATOM 0 HA HIS A 10 14.888 4.133 3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.871 2.836 3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.245 4.476 4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.959 4.573 6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.302 0.810 7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.793 2.908 7.976 1.00 0.00 H new ATOM 160 N GLN A 11 14.276 2.419 6.362 1.00 0.00 N ATOM 161 CA GLN A 11 13.464 1.337 6.915 1.00 0.00 C ATOM 162 C GLN A 11 11.968 1.621 6.756 1.00 0.00 C ATOM 163 O GLN A 11 11.215 0.719 6.389 1.00 0.00 O ATOM 164 CB GLN A 11 13.842 1.104 8.386 1.00 0.00 C ATOM 165 CG GLN A 11 13.173 -0.145 8.974 1.00 0.00 C ATOM 166 CD GLN A 11 13.502 -1.423 8.204 1.00 0.00 C ATOM 167 OE1 GLN A 11 14.658 -1.791 8.020 1.00 0.00 O ATOM 168 NE2 GLN A 11 12.506 -2.101 7.677 1.00 0.00 N ATOM 0 H GLN A 11 14.742 2.982 7.073 1.00 0.00 H new ATOM 0 HA GLN A 11 13.671 0.425 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.924 1.005 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.556 1.976 8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.486 -0.263 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.093 -0.001 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.545 -1.796 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.695 -2.932 7.116 1.00 0.00 H new ATOM 177 N ARG A 12 11.535 2.875 6.939 1.00 0.00 N ATOM 178 CA ARG A 12 10.154 3.276 6.629 1.00 0.00 C ATOM 179 C ARG A 12 9.825 3.033 5.154 1.00 0.00 C ATOM 180 O ARG A 12 8.822 2.379 4.878 1.00 0.00 O ATOM 181 CB ARG A 12 9.891 4.735 7.031 1.00 0.00 C ATOM 182 CG ARG A 12 10.018 4.968 8.543 1.00 0.00 C ATOM 183 CD ARG A 12 9.423 6.316 8.964 1.00 0.00 C ATOM 184 NE ARG A 12 10.251 7.466 8.554 1.00 0.00 N ATOM 185 CZ ARG A 12 10.050 8.295 7.549 1.00 0.00 C ATOM 186 NH1 ARG A 12 9.170 8.096 6.612 1.00 0.00 N ATOM 187 NH2 ARG A 12 10.770 9.370 7.454 1.00 0.00 N ATOM 0 H ARG A 12 12.119 3.629 7.300 1.00 0.00 H new ATOM 0 HA ARG A 12 9.487 2.650 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.594 5.383 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.891 5.022 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.512 4.165 9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.069 4.929 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.428 6.419 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.302 6.331 10.047 1.00 0.00 H new ATOM 0 HE ARG A 12 11.082 7.642 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.587 7.259 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.063 8.777 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.485 9.568 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.621 10.017 6.679 1.00 0.00 H new ATOM 201 N SER A 13 10.718 3.401 4.232 1.00 0.00 N ATOM 202 CA SER A 13 10.567 3.111 2.797 1.00 0.00 C ATOM 203 C SER A 13 10.540 1.601 2.497 1.00 0.00 C ATOM 204 O SER A 13 9.785 1.164 1.631 1.00 0.00 O ATOM 205 CB SER A 13 11.701 3.737 1.977 1.00 0.00 C ATOM 206 OG SER A 13 11.766 5.148 2.073 1.00 0.00 O ATOM 0 H SER A 13 11.572 3.911 4.457 1.00 0.00 H new ATOM 0 HA SER A 13 9.609 3.547 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.651 3.316 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.576 3.459 0.930 1.00 0.00 H new ATOM 0 HG SER A 13 12.079 5.401 2.966 1.00 0.00 H new ATOM 212 N GLN A 14 11.308 0.779 3.220 1.00 0.00 N ATOM 213 CA GLN A 14 11.299 -0.685 3.070 1.00 0.00 C ATOM 214 C GLN A 14 9.993 -1.318 3.589 1.00 0.00 C ATOM 215 O GLN A 14 9.481 -2.257 2.978 1.00 0.00 O ATOM 216 CB GLN A 14 12.548 -1.255 3.759 1.00 0.00 C ATOM 217 CG GLN A 14 12.639 -2.787 3.685 1.00 0.00 C ATOM 218 CD GLN A 14 13.958 -3.347 4.209 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.951 -2.651 4.377 1.00 0.00 O ATOM 220 NE2 GLN A 14 14.040 -4.630 4.463 1.00 0.00 N ATOM 0 H GLN A 14 11.959 1.111 3.932 1.00 0.00 H new ATOM 0 HA GLN A 14 11.333 -0.939 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.437 -0.823 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.549 -0.948 4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.818 -3.219 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.507 -3.101 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.225 -5.229 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.918 -5.029 4.793 1.00 0.00 H new ATOM 229 N ASN A 15 9.406 -0.773 4.657 1.00 0.00 N ATOM 230 CA ASN A 15 8.077 -1.161 5.133 1.00 0.00 C ATOM 231 C ASN A 15 6.948 -0.667 4.195 1.00 0.00 C ATOM 232 O ASN A 15 5.973 -1.396 3.997 1.00 0.00 O ATOM 233 CB ASN A 15 7.921 -0.697 6.597 1.00 0.00 C ATOM 234 CG ASN A 15 8.563 -1.659 7.591 1.00 0.00 C ATOM 235 OD1 ASN A 15 9.650 -1.451 8.116 1.00 0.00 O ATOM 236 ND2 ASN A 15 7.891 -2.741 7.897 1.00 0.00 N ATOM 0 H ASN A 15 9.844 -0.044 5.220 1.00 0.00 H new ATOM 0 HA ASN A 15 7.982 -2.247 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.370 0.290 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.861 -0.594 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.273 -3.406 8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.985 -2.919 7.463 1.00 0.00 H new ATOM 243 N VAL A 16 7.095 0.502 3.551 1.00 0.00 N ATOM 244 CA VAL A 16 6.237 0.964 2.433 1.00 0.00 C ATOM 245 C VAL A 16 6.309 0.006 1.239 1.00 0.00 C ATOM 246 O VAL A 16 5.284 -0.218 0.607 1.00 0.00 O ATOM 247 CB VAL A 16 6.615 2.397 1.988 1.00 0.00 C ATOM 248 CG1 VAL A 16 5.938 2.857 0.691 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.222 3.437 3.037 1.00 0.00 C ATOM 0 H VAL A 16 7.827 1.170 3.793 1.00 0.00 H new ATOM 0 HA VAL A 16 5.211 0.976 2.802 1.00 0.00 H new ATOM 0 HB VAL A 16 7.693 2.335 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.259 3.871 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.218 2.188 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.856 2.840 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.504 4.430 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.145 3.401 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.737 3.222 3.973 1.00 0.00 H new ATOM 259 N ALA A 17 7.459 -0.606 0.938 1.00 0.00 N ATOM 260 CA ALA A 17 7.609 -1.479 -0.234 1.00 0.00 C ATOM 261 C ALA A 17 6.680 -2.713 -0.193 1.00 0.00 C ATOM 262 O ALA A 17 6.116 -3.103 -1.220 1.00 0.00 O ATOM 263 CB ALA A 17 9.080 -1.891 -0.343 1.00 0.00 C ATOM 0 H ALA A 17 8.308 -0.512 1.495 1.00 0.00 H new ATOM 0 HA ALA A 17 7.306 -0.922 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.213 -2.541 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.699 -1.002 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.376 -2.425 0.560 1.00 0.00 H new ATOM 269 N GLU A 18 6.460 -3.281 1.000 1.00 0.00 N ATOM 270 CA GLU A 18 5.496 -4.365 1.238 1.00 0.00 C ATOM 271 C GLU A 18 4.047 -3.913 0.976 1.00 0.00 C ATOM 272 O GLU A 18 3.291 -4.618 0.304 1.00 0.00 O ATOM 273 CB GLU A 18 5.615 -4.856 2.693 1.00 0.00 C ATOM 274 CG GLU A 18 6.891 -5.656 2.977 1.00 0.00 C ATOM 275 CD GLU A 18 6.944 -6.063 4.454 1.00 0.00 C ATOM 276 OE1 GLU A 18 7.195 -5.184 5.310 1.00 0.00 O ATOM 277 OE2 GLU A 18 6.676 -7.245 4.787 1.00 0.00 O ATOM 0 H GLU A 18 6.957 -2.995 1.844 1.00 0.00 H new ATOM 0 HA GLU A 18 5.731 -5.172 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.582 -3.995 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.750 -5.475 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.920 -6.545 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.767 -5.058 2.725 1.00 0.00 H new ATOM 284 N LEU A 19 3.679 -2.722 1.465 1.00 0.00 N ATOM 285 CA LEU A 19 2.380 -2.076 1.239 1.00 0.00 C ATOM 286 C LEU A 19 2.152 -1.769 -0.254 1.00 0.00 C ATOM 287 O LEU A 19 1.075 -2.034 -0.789 1.00 0.00 O ATOM 288 CB LEU A 19 2.327 -0.818 2.113 1.00 0.00 C ATOM 289 CG LEU A 19 0.987 -0.073 1.981 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.492 0.310 3.361 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.153 1.201 1.165 1.00 0.00 C ATOM 0 H LEU A 19 4.300 -2.162 2.050 1.00 0.00 H new ATOM 0 HA LEU A 19 1.568 -2.746 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.485 -1.095 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.141 -0.149 1.834 1.00 0.00 H new ATOM 0 HG LEU A 19 0.277 -0.731 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.457 0.838 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.353 -0.590 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.224 0.957 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.192 1.710 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.872 1.857 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.514 0.950 0.168 1.00 0.00 H new ATOM 303 N LEU A 20 3.177 -1.255 -0.941 1.00 0.00 N ATOM 304 CA LEU A 20 3.148 -0.903 -2.361 1.00 0.00 C ATOM 305 C LEU A 20 2.822 -2.140 -3.217 1.00 0.00 C ATOM 306 O LEU A 20 1.956 -2.065 -4.083 1.00 0.00 O ATOM 307 CB LEU A 20 4.503 -0.259 -2.731 1.00 0.00 C ATOM 308 CG LEU A 20 4.596 0.681 -3.956 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.277 0.952 -4.667 1.00 0.00 C ATOM 310 CD2 LEU A 20 5.157 2.036 -3.529 1.00 0.00 C ATOM 0 H LEU A 20 4.081 -1.067 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 20 2.358 -0.179 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.844 0.304 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.216 -1.068 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 20 5.243 0.152 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.449 1.621 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.859 0.013 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.578 1.417 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.220 2.693 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.501 2.483 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.151 1.900 -3.104 1.00 0.00 H new ATOM 322 N THR A 21 3.417 -3.302 -2.921 1.00 0.00 N ATOM 323 CA THR A 21 3.107 -4.584 -3.587 1.00 0.00 C ATOM 324 C THR A 21 1.627 -4.975 -3.452 1.00 0.00 C ATOM 325 O THR A 21 1.050 -5.454 -4.432 1.00 0.00 O ATOM 326 CB THR A 21 4.008 -5.698 -3.010 1.00 0.00 C ATOM 327 OG1 THR A 21 5.365 -5.425 -3.286 1.00 0.00 O ATOM 328 CG2 THR A 21 3.744 -7.087 -3.588 1.00 0.00 C ATOM 0 H THR A 21 4.137 -3.385 -2.204 1.00 0.00 H new ATOM 0 HA THR A 21 3.305 -4.458 -4.651 1.00 0.00 H new ATOM 0 HB THR A 21 3.777 -5.704 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.679 -4.703 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.420 -7.807 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.713 -7.376 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.910 -7.071 -4.665 1.00 0.00 H new ATOM 336 N VAL A 22 0.992 -4.743 -2.294 1.00 0.00 N ATOM 337 CA VAL A 22 -0.444 -5.005 -2.063 1.00 0.00 C ATOM 338 C VAL A 22 -1.338 -3.982 -2.769 1.00 0.00 C ATOM 339 O VAL A 22 -2.353 -4.381 -3.334 1.00 0.00 O ATOM 340 CB VAL A 22 -0.736 -5.090 -0.545 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.204 -4.878 -0.163 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.341 -6.468 0.000 1.00 0.00 C ATOM 0 H VAL A 22 1.466 -4.362 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.687 -5.971 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.148 -4.280 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.313 -4.955 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.526 -3.890 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.819 -5.638 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.553 -6.511 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.913 -7.240 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.724 -6.633 -0.166 1.00 0.00 H new ATOM 352 N LEU A 23 -0.978 -2.694 -2.805 1.00 0.00 N ATOM 353 CA LEU A 23 -1.759 -1.688 -3.540 1.00 0.00 C ATOM 354 C LEU A 23 -1.636 -1.840 -5.068 1.00 0.00 C ATOM 355 O LEU A 23 -2.627 -1.710 -5.789 1.00 0.00 O ATOM 356 CB LEU A 23 -1.369 -0.269 -3.087 1.00 0.00 C ATOM 357 CG LEU A 23 -1.694 0.138 -1.646 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.479 1.643 -1.465 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.141 -0.193 -1.366 1.00 0.00 C ATOM 0 H LEU A 23 -0.152 -2.322 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.809 -1.857 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.295 -0.155 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.858 0.441 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.041 -0.400 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.713 1.923 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.440 1.891 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.131 2.188 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.388 0.091 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.780 0.354 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.301 -1.264 -1.494 1.00 0.00 H new ATOM 371 N MET A 24 -0.450 -2.207 -5.559 1.00 0.00 N ATOM 372 CA MET A 24 -0.230 -2.660 -6.938 1.00 0.00 C ATOM 373 C MET A 24 -1.141 -3.843 -7.283 1.00 0.00 C ATOM 374 O MET A 24 -1.776 -3.851 -8.335 1.00 0.00 O ATOM 375 CB MET A 24 1.252 -3.047 -7.113 1.00 0.00 C ATOM 376 CG MET A 24 2.096 -1.837 -7.517 1.00 0.00 C ATOM 377 SD MET A 24 1.730 -1.203 -9.178 1.00 0.00 S ATOM 378 CE MET A 24 2.849 0.220 -9.211 1.00 0.00 C ATOM 0 H MET A 24 0.403 -2.198 -4.999 1.00 0.00 H new ATOM 0 HA MET A 24 -0.477 -1.847 -7.621 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.634 -3.465 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.340 -3.825 -7.871 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.939 -1.039 -6.792 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.150 -2.109 -7.467 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.756 0.734 -10.168 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.589 0.906 -8.405 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.876 -0.121 -9.080 1.00 0.00 H new ATOM 388 N ASP A 25 -1.280 -4.799 -6.365 1.00 0.00 N ATOM 389 CA ASP A 25 -2.180 -5.941 -6.514 1.00 0.00 C ATOM 390 C ASP A 25 -3.655 -5.520 -6.667 1.00 0.00 C ATOM 391 O ASP A 25 -4.346 -6.100 -7.502 1.00 0.00 O ATOM 392 CB ASP A 25 -1.977 -6.893 -5.322 1.00 0.00 C ATOM 393 CG ASP A 25 -1.072 -8.092 -5.599 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.289 -8.078 -6.574 1.00 0.00 O ATOM 395 OD2 ASP A 25 -1.106 -9.048 -4.787 1.00 0.00 O ATOM 0 H ASP A 25 -0.764 -4.802 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.931 -6.460 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.559 -6.326 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.951 -7.260 -4.999 1.00 0.00 H new ATOM 400 N ILE A 26 -4.134 -4.471 -5.977 1.00 0.00 N ATOM 401 CA ILE A 26 -5.497 -3.933 -6.186 1.00 0.00 C ATOM 402 C ILE A 26 -5.634 -3.453 -7.633 1.00 0.00 C ATOM 403 O ILE A 26 -6.613 -3.756 -8.317 1.00 0.00 O ATOM 404 CB ILE A 26 -5.824 -2.739 -5.246 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.435 -2.901 -3.773 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.303 -2.330 -5.368 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.170 -4.008 -3.048 1.00 0.00 C ATOM 0 H ILE A 26 -3.598 -3.974 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.195 -4.740 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.174 -1.943 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.364 -3.093 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.620 -1.960 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.505 -1.493 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.515 -2.034 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.937 -3.173 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.833 -4.051 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.242 -3.810 -3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.966 -4.961 -3.536 1.00 0.00 H new ATOM 419 N ASN A 27 -4.616 -2.728 -8.104 1.00 0.00 N ATOM 420 CA ASN A 27 -4.626 -2.089 -9.417 1.00 0.00 C ATOM 421 C ASN A 27 -4.593 -3.116 -10.562 1.00 0.00 C ATOM 422 O ASN A 27 -5.297 -2.941 -11.561 1.00 0.00 O ATOM 423 CB ASN A 27 -3.476 -1.071 -9.491 1.00 0.00 C ATOM 424 CG ASN A 27 -3.824 0.065 -10.431 1.00 0.00 C ATOM 425 OD1 ASN A 27 -4.500 1.003 -10.049 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.428 0.019 -11.678 1.00 0.00 N ATOM 0 H ASN A 27 -3.756 -2.568 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.566 -1.552 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.269 -0.676 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.567 -1.566 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.686 0.766 -12.323 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.862 -0.764 -12.005 1.00 0.00 H new ATOM 433 N LYS A 28 -3.838 -4.215 -10.412 1.00 0.00 N ATOM 434 CA LYS A 28 -3.813 -5.333 -11.362 1.00 0.00 C ATOM 435 C LYS A 28 -5.108 -6.157 -11.308 1.00 0.00 C ATOM 436 O LYS A 28 -5.705 -6.390 -12.359 1.00 0.00 O ATOM 437 CB LYS A 28 -2.573 -6.216 -11.116 1.00 0.00 C ATOM 438 CG LYS A 28 -1.283 -5.733 -11.814 1.00 0.00 C ATOM 439 CD LYS A 28 -0.587 -4.580 -11.081 1.00 0.00 C ATOM 440 CE LYS A 28 0.700 -4.093 -11.758 1.00 0.00 C ATOM 441 NZ LYS A 28 1.788 -5.099 -11.691 1.00 0.00 N ATOM 0 H LYS A 28 -3.218 -4.352 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.746 -4.918 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.390 -6.269 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.794 -7.229 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.590 -6.570 -11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.525 -5.415 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.281 -3.743 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.352 -4.899 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.492 -3.856 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.032 -3.170 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.637 -4.724 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.007 -5.307 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.484 -5.971 -12.169 1.00 0.00 H new ATOM 455 N ILE A 29 -5.572 -6.557 -10.120 1.00 0.00 N ATOM 456 CA ILE A 29 -6.759 -7.419 -9.951 1.00 0.00 C ATOM 457 C ILE A 29 -8.034 -6.718 -10.443 1.00 0.00 C ATOM 458 O ILE A 29 -8.790 -7.298 -11.222 1.00 0.00 O ATOM 459 CB ILE A 29 -6.890 -7.890 -8.476 1.00 0.00 C ATOM 460 CG1 ILE A 29 -5.730 -8.845 -8.099 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.233 -8.600 -8.216 1.00 0.00 C ATOM 462 CD1 ILE A 29 -5.580 -9.079 -6.588 1.00 0.00 C ATOM 0 H ILE A 29 -5.135 -6.292 -9.237 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.626 -8.306 -10.570 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.846 -6.995 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.888 -9.805 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.797 -8.438 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.283 -8.913 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.054 -7.915 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.313 -9.475 -8.861 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.747 -9.758 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.389 -8.129 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.498 -9.517 -6.195 1.00 0.00 H new ATOM 474 N ASN A 30 -8.267 -5.465 -10.033 1.00 0.00 N ATOM 475 CA ASN A 30 -9.521 -4.752 -10.305 1.00 0.00 C ATOM 476 C ASN A 30 -9.493 -3.872 -11.579 1.00 0.00 C ATOM 477 O ASN A 30 -10.437 -3.117 -11.829 1.00 0.00 O ATOM 478 CB ASN A 30 -9.957 -3.994 -9.036 1.00 0.00 C ATOM 479 CG ASN A 30 -11.431 -3.614 -9.056 1.00 0.00 C ATOM 480 OD1 ASN A 30 -12.270 -4.277 -9.656 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.799 -2.549 -8.393 1.00 0.00 N ATOM 0 H ASN A 30 -7.590 -4.916 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.282 -5.494 -10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.757 -4.613 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.355 -3.092 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.781 -2.273 -8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.104 -1.995 -7.892 1.00 0.00 H new ATOM 488 N GLY A 31 -8.445 -3.972 -12.409 1.00 0.00 N ATOM 489 CA GLY A 31 -8.370 -3.299 -13.715 1.00 0.00 C ATOM 490 C GLY A 31 -8.228 -1.780 -13.659 1.00 0.00 C ATOM 491 O GLY A 31 -8.839 -1.067 -14.461 1.00 0.00 O ATOM 0 H GLY A 31 -7.618 -4.527 -12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.523 -3.706 -14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.268 -3.543 -14.283 1.00 0.00 H new ATOM 495 N GLY A 32 -7.422 -1.297 -12.713 1.00 0.00 N ATOM 496 CA GLY A 32 -7.080 0.113 -12.580 1.00 0.00 C ATOM 497 C GLY A 32 -6.129 0.612 -13.672 1.00 0.00 C ATOM 498 O GLY A 32 -5.323 -0.137 -14.233 1.00 0.00 O ATOM 0 H GLY A 32 -6.983 -1.888 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.995 0.705 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.621 0.278 -11.605 1.00 0.00 H new ATOM 502 N ASP A 33 -6.230 1.901 -13.965 1.00 0.00 N ATOM 503 CA ASP A 33 -5.361 2.644 -14.891 1.00 0.00 C ATOM 504 C ASP A 33 -3.914 2.768 -14.360 1.00 0.00 C ATOM 505 O ASP A 33 -3.668 2.689 -13.154 1.00 0.00 O ATOM 506 CB ASP A 33 -6.023 4.015 -15.158 1.00 0.00 C ATOM 507 CG ASP A 33 -5.447 4.811 -16.336 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.334 5.366 -16.197 1.00 0.00 O ATOM 509 OD2 ASP A 33 -6.136 4.978 -17.372 1.00 0.00 O ATOM 0 H ASP A 33 -6.950 2.492 -13.549 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.263 2.101 -15.831 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.087 3.856 -15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.937 4.621 -14.256 1.00 0.00 H new ATOM 514 N SER A 34 -2.938 2.991 -15.242 1.00 0.00 N ATOM 515 CA SER A 34 -1.543 3.256 -14.854 1.00 0.00 C ATOM 516 C SER A 34 -1.373 4.587 -14.092 1.00 0.00 C ATOM 517 O SER A 34 -0.445 4.743 -13.296 1.00 0.00 O ATOM 518 CB SER A 34 -0.656 3.201 -16.101 1.00 0.00 C ATOM 519 OG SER A 34 0.713 3.139 -15.739 1.00 0.00 O ATOM 0 H SER A 34 -3.089 2.994 -16.251 1.00 0.00 H new ATOM 0 HA SER A 34 -1.233 2.481 -14.153 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.918 2.330 -16.702 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.834 4.081 -16.719 1.00 0.00 H new ATOM 0 HG SER A 34 1.264 3.103 -16.549 1.00 0.00 H new ATOM 525 N THR A 35 -2.297 5.541 -14.244 1.00 0.00 N ATOM 526 CA THR A 35 -2.417 6.727 -13.388 1.00 0.00 C ATOM 527 C THR A 35 -3.006 6.389 -12.016 1.00 0.00 C ATOM 528 O THR A 35 -2.548 6.934 -11.015 1.00 0.00 O ATOM 529 CB THR A 35 -3.276 7.795 -14.072 1.00 0.00 C ATOM 530 OG1 THR A 35 -4.563 7.310 -14.393 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.631 8.332 -15.348 1.00 0.00 C ATOM 0 H THR A 35 -2.999 5.510 -14.983 1.00 0.00 H new ATOM 0 HA THR A 35 -1.410 7.114 -13.232 1.00 0.00 H new ATOM 0 HB THR A 35 -3.360 8.605 -13.348 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.525 6.816 -15.239 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.280 9.086 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.667 8.779 -15.108 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.486 7.514 -16.054 1.00 0.00 H new ATOM 539 N THR A 36 -3.934 5.431 -11.909 1.00 0.00 N ATOM 540 CA THR A 36 -4.377 4.883 -10.623 1.00 0.00 C ATOM 541 C THR A 36 -3.222 4.169 -9.913 1.00 0.00 C ATOM 542 O THR A 36 -3.015 4.394 -8.722 1.00 0.00 O ATOM 543 CB THR A 36 -5.578 3.946 -10.816 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.548 4.567 -11.630 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.266 3.660 -9.491 1.00 0.00 C ATOM 0 H THR A 36 -4.400 5.013 -12.715 1.00 0.00 H new ATOM 0 HA THR A 36 -4.699 5.709 -9.989 1.00 0.00 H new ATOM 0 HB THR A 36 -5.197 3.028 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.310 3.963 -11.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.113 2.994 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.560 3.186 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.619 4.595 -9.055 1.00 0.00 H new ATOM 553 N ALA A 37 -2.384 3.430 -10.651 1.00 0.00 N ATOM 554 CA ALA A 37 -1.142 2.836 -10.147 1.00 0.00 C ATOM 555 C ALA A 37 -0.149 3.901 -9.627 1.00 0.00 C ATOM 556 O ALA A 37 0.477 3.727 -8.583 1.00 0.00 O ATOM 557 CB ALA A 37 -0.519 1.990 -11.268 1.00 0.00 C ATOM 0 H ALA A 37 -2.555 3.225 -11.635 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.375 2.204 -9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.407 1.539 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.216 1.205 -11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.306 2.625 -12.128 1.00 0.00 H new ATOM 563 N GLU A 38 -0.049 5.046 -10.306 1.00 0.00 N ATOM 564 CA GLU A 38 0.728 6.205 -9.850 1.00 0.00 C ATOM 565 C GLU A 38 0.146 6.833 -8.566 1.00 0.00 C ATOM 566 O GLU A 38 0.885 7.147 -7.632 1.00 0.00 O ATOM 567 CB GLU A 38 0.867 7.180 -11.019 1.00 0.00 C ATOM 568 CG GLU A 38 1.848 8.314 -10.730 1.00 0.00 C ATOM 569 CD GLU A 38 2.344 8.960 -12.029 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.270 8.398 -12.663 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.800 10.015 -12.444 1.00 0.00 O ATOM 0 H GLU A 38 -0.512 5.198 -11.202 1.00 0.00 H new ATOM 0 HA GLU A 38 1.728 5.892 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.199 6.635 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.111 7.602 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.365 9.067 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.697 7.929 -10.164 1.00 0.00 H new ATOM 578 N LYS A 39 -1.185 6.912 -8.444 1.00 0.00 N ATOM 579 CA LYS A 39 -1.875 7.317 -7.204 1.00 0.00 C ATOM 580 C LYS A 39 -1.698 6.311 -6.056 1.00 0.00 C ATOM 581 O LYS A 39 -1.643 6.744 -4.905 1.00 0.00 O ATOM 582 CB LYS A 39 -3.344 7.653 -7.497 1.00 0.00 C ATOM 583 CG LYS A 39 -3.581 9.139 -7.833 1.00 0.00 C ATOM 584 CD LYS A 39 -2.659 9.719 -8.919 1.00 0.00 C ATOM 585 CE LYS A 39 -3.120 11.108 -9.366 1.00 0.00 C ATOM 586 NZ LYS A 39 -2.139 11.715 -10.295 1.00 0.00 N ATOM 0 H LYS A 39 -1.824 6.695 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.396 8.226 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.689 7.041 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.949 7.384 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.616 9.262 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.457 9.725 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.640 9.778 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.640 9.048 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.092 11.034 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.249 11.751 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.472 12.656 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.219 11.805 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.036 11.110 -11.135 1.00 0.00 H new ATOM 600 N MET A 40 -1.522 5.012 -6.333 1.00 0.00 N ATOM 601 CA MET A 40 -1.112 4.025 -5.316 1.00 0.00 C ATOM 602 C MET A 40 0.293 4.320 -4.768 1.00 0.00 C ATOM 603 O MET A 40 0.479 4.301 -3.551 1.00 0.00 O ATOM 604 CB MET A 40 -1.148 2.581 -5.849 1.00 0.00 C ATOM 605 CG MET A 40 -2.527 2.063 -6.269 1.00 0.00 C ATOM 606 SD MET A 40 -3.804 2.107 -4.985 1.00 0.00 S ATOM 607 CE MET A 40 -5.130 1.252 -5.878 1.00 0.00 C ATOM 0 H MET A 40 -1.658 4.614 -7.262 1.00 0.00 H new ATOM 0 HA MET A 40 -1.840 4.116 -4.510 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.478 2.513 -6.706 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.750 1.919 -5.080 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.872 2.650 -7.120 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.419 1.035 -6.614 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.987 1.119 -5.217 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.428 1.845 -6.743 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.774 0.277 -6.212 1.00 0.00 H new ATOM 617 N LYS A 41 1.269 4.663 -5.628 1.00 0.00 N ATOM 618 CA LYS A 41 2.625 5.076 -5.193 1.00 0.00 C ATOM 619 C LYS A 41 2.566 6.287 -4.252 1.00 0.00 C ATOM 620 O LYS A 41 3.172 6.270 -3.181 1.00 0.00 O ATOM 621 CB LYS A 41 3.551 5.348 -6.382 1.00 0.00 C ATOM 622 CG LYS A 41 3.801 4.139 -7.302 1.00 0.00 C ATOM 623 CD LYS A 41 4.555 4.538 -8.583 1.00 0.00 C ATOM 624 CE LYS A 41 4.626 3.343 -9.543 1.00 0.00 C ATOM 625 NZ LYS A 41 5.363 3.656 -10.791 1.00 0.00 N ATOM 0 H LYS A 41 1.146 4.663 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 41 3.049 4.239 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.126 6.156 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.510 5.702 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.375 3.385 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.848 3.683 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.050 5.374 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.561 4.875 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.110 2.506 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.615 3.023 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.381 2.816 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.888 4.436 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.337 3.936 -10.558 1.00 0.00 H new ATOM 639 N VAL A 42 1.760 7.293 -4.608 1.00 0.00 N ATOM 640 CA VAL A 42 1.501 8.490 -3.782 1.00 0.00 C ATOM 641 C VAL A 42 0.847 8.140 -2.436 1.00 0.00 C ATOM 642 O VAL A 42 1.269 8.668 -1.405 1.00 0.00 O ATOM 643 CB VAL A 42 0.635 9.497 -4.570 1.00 0.00 C ATOM 644 CG1 VAL A 42 0.174 10.691 -3.727 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.399 10.060 -5.775 1.00 0.00 C ATOM 0 H VAL A 42 1.257 7.304 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 42 2.463 8.948 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.239 8.928 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.430 11.359 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.421 10.335 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.044 11.230 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.764 10.766 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.298 10.570 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.678 9.244 -6.442 1.00 0.00 H new ATOM 655 N HIS A 43 -0.135 7.229 -2.415 1.00 0.00 N ATOM 656 CA HIS A 43 -0.871 6.832 -1.211 1.00 0.00 C ATOM 657 C HIS A 43 0.044 6.070 -0.248 1.00 0.00 C ATOM 658 O HIS A 43 0.023 6.321 0.959 1.00 0.00 O ATOM 659 CB HIS A 43 -2.083 5.971 -1.619 1.00 0.00 C ATOM 660 CG HIS A 43 -3.043 5.605 -0.504 1.00 0.00 C ATOM 661 ND1 HIS A 43 -2.893 5.833 0.849 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.254 4.984 -0.666 1.00 0.00 C ATOM 663 CE1 HIS A 43 -3.985 5.373 1.481 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.853 4.849 0.595 1.00 0.00 N ATOM 0 H HIS A 43 -0.445 6.738 -3.253 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.226 7.723 -0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.639 6.504 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.714 5.050 -2.071 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.089 6.276 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.675 4.655 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.144 5.417 2.548 1.00 0.00 H new ATOM 672 N ALA A 44 0.893 5.193 -0.788 1.00 0.00 N ATOM 673 CA ALA A 44 1.838 4.407 -0.011 1.00 0.00 C ATOM 674 C ALA A 44 2.884 5.297 0.688 1.00 0.00 C ATOM 675 O ALA A 44 3.107 5.180 1.894 1.00 0.00 O ATOM 676 CB ALA A 44 2.484 3.394 -0.966 1.00 0.00 C ATOM 0 H ALA A 44 0.940 5.011 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 44 1.323 3.883 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.202 2.784 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.713 2.752 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.997 3.926 -1.767 1.00 0.00 H new ATOM 682 N LYS A 45 3.466 6.247 -0.058 1.00 0.00 N ATOM 683 CA LYS A 45 4.468 7.209 0.437 1.00 0.00 C ATOM 684 C LYS A 45 3.856 8.269 1.372 1.00 0.00 C ATOM 685 O LYS A 45 4.539 8.748 2.276 1.00 0.00 O ATOM 686 CB LYS A 45 5.221 7.811 -0.770 1.00 0.00 C ATOM 687 CG LYS A 45 6.027 6.730 -1.527 1.00 0.00 C ATOM 688 CD LYS A 45 6.626 7.213 -2.858 1.00 0.00 C ATOM 689 CE LYS A 45 7.179 5.996 -3.617 1.00 0.00 C ATOM 690 NZ LYS A 45 7.813 6.352 -4.910 1.00 0.00 N ATOM 0 H LYS A 45 3.249 6.373 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 45 5.191 6.687 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.508 8.278 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.895 8.596 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.834 6.377 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.377 5.877 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.866 7.717 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.420 7.937 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.910 5.486 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.368 5.291 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.165 5.490 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.112 6.813 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.606 7.003 -4.740 1.00 0.00 H new ATOM 704 N SER A 46 2.561 8.572 1.223 1.00 0.00 N ATOM 705 CA SER A 46 1.766 9.395 2.155 1.00 0.00 C ATOM 706 C SER A 46 1.498 8.696 3.500 1.00 0.00 C ATOM 707 O SER A 46 1.451 9.364 4.539 1.00 0.00 O ATOM 708 CB SER A 46 0.445 9.801 1.475 1.00 0.00 C ATOM 709 OG SER A 46 -0.440 10.452 2.373 1.00 0.00 O ATOM 0 H SER A 46 2.016 8.243 0.426 1.00 0.00 H new ATOM 0 HA SER A 46 2.352 10.283 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.659 10.462 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.040 8.914 1.068 1.00 0.00 H new ATOM 0 HG SER A 46 -1.265 10.694 1.902 1.00 0.00 H new ATOM 715 N PHE A 47 1.361 7.361 3.522 1.00 0.00 N ATOM 716 CA PHE A 47 1.037 6.629 4.753 1.00 0.00 C ATOM 717 C PHE A 47 2.197 6.581 5.758 1.00 0.00 C ATOM 718 O PHE A 47 1.984 6.866 6.936 1.00 0.00 O ATOM 719 CB PHE A 47 0.498 5.232 4.447 1.00 0.00 C ATOM 720 CG PHE A 47 -0.089 4.566 5.682 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.354 4.966 6.159 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.651 3.604 6.398 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.868 4.421 7.349 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.132 3.053 7.585 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.123 3.468 8.066 1.00 0.00 C ATOM 0 H PHE A 47 1.470 6.767 2.700 1.00 0.00 H new ATOM 0 HA PHE A 47 0.245 7.197 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.267 5.300 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.301 4.613 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.931 5.694 5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.618 3.289 6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.835 4.735 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.698 2.310 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.514 3.055 8.984 1.00 0.00 H new ATOM 735 N GLU A 48 3.436 6.309 5.325 1.00 0.00 N ATOM 736 CA GLU A 48 4.597 6.384 6.237 1.00 0.00 C ATOM 737 C GLU A 48 4.787 7.796 6.819 1.00 0.00 C ATOM 738 O GLU A 48 5.105 7.936 7.997 1.00 0.00 O ATOM 739 CB GLU A 48 5.908 5.892 5.602 1.00 0.00 C ATOM 740 CG GLU A 48 6.173 6.494 4.218 1.00 0.00 C ATOM 741 CD GLU A 48 7.639 6.473 3.748 1.00 0.00 C ATOM 742 OE1 GLU A 48 8.561 6.256 4.567 1.00 0.00 O ATOM 743 OE2 GLU A 48 7.871 6.788 2.556 1.00 0.00 O ATOM 0 H GLU A 48 3.663 6.039 4.368 1.00 0.00 H new ATOM 0 HA GLU A 48 4.359 5.700 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.739 6.138 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.878 4.806 5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.569 5.956 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.826 7.527 4.220 1.00 0.00 H new ATOM 750 N ALA A 49 4.514 8.841 6.030 1.00 0.00 N ATOM 751 CA ALA A 49 4.612 10.234 6.454 1.00 0.00 C ATOM 752 C ALA A 49 3.554 10.625 7.507 1.00 0.00 C ATOM 753 O ALA A 49 3.789 11.546 8.296 1.00 0.00 O ATOM 754 CB ALA A 49 4.547 11.117 5.203 1.00 0.00 C ATOM 0 H ALA A 49 4.213 8.736 5.061 1.00 0.00 H new ATOM 0 HA ALA A 49 5.565 10.384 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.618 12.165 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.374 10.868 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.602 10.947 4.686 1.00 0.00 H new ATOM 760 N ALA A 50 2.407 9.934 7.532 1.00 0.00 N ATOM 761 CA ALA A 50 1.424 10.011 8.614 1.00 0.00 C ATOM 762 C ALA A 50 1.822 9.144 9.825 1.00 0.00 C ATOM 763 O ALA A 50 1.708 9.592 10.969 1.00 0.00 O ATOM 764 CB ALA A 50 0.051 9.597 8.068 1.00 0.00 C ATOM 0 H ALA A 50 2.134 9.295 6.786 1.00 0.00 H new ATOM 0 HA ALA A 50 1.383 11.039 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.689 9.651 8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.237 10.270 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.103 8.576 7.689 1.00 0.00 H new ATOM 770 N LEU A 51 2.305 7.916 9.600 1.00 0.00 N ATOM 771 CA LEU A 51 2.633 6.970 10.672 1.00 0.00 C ATOM 772 C LEU A 51 3.895 7.374 11.458 1.00 0.00 C ATOM 773 O LEU A 51 3.982 7.099 12.655 1.00 0.00 O ATOM 774 CB LEU A 51 2.721 5.548 10.078 1.00 0.00 C ATOM 775 CG LEU A 51 2.839 4.434 11.139 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.615 4.358 12.049 1.00 0.00 C ATOM 777 CD2 LEU A 51 3.019 3.063 10.484 1.00 0.00 C ATOM 0 H LEU A 51 2.480 7.550 8.664 1.00 0.00 H new ATOM 0 HA LEU A 51 1.834 6.987 11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.836 5.364 9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.583 5.495 9.413 1.00 0.00 H new ATOM 0 HG LEU A 51 3.713 4.691 11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.751 3.558 12.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.491 5.306 12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.728 4.156 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.099 2.298 11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.160 2.848 9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.926 3.065 9.880 1.00 0.00 H new ATOM 789 N PHE A 52 4.833 8.097 10.837 1.00 0.00 N ATOM 790 CA PHE A 52 6.016 8.656 11.505 1.00 0.00 C ATOM 791 C PHE A 52 5.643 9.576 12.685 1.00 0.00 C ATOM 792 O PHE A 52 6.304 9.552 13.724 1.00 0.00 O ATOM 793 CB PHE A 52 6.875 9.385 10.458 1.00 0.00 C ATOM 794 CG PHE A 52 8.290 9.752 10.878 1.00 0.00 C ATOM 795 CD1 PHE A 52 9.143 8.798 11.475 1.00 0.00 C ATOM 796 CD2 PHE A 52 8.798 11.029 10.572 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.490 9.112 11.729 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.143 11.342 10.831 1.00 0.00 C ATOM 799 CZ PHE A 52 10.995 10.379 11.394 1.00 0.00 C ATOM 0 H PHE A 52 4.792 8.314 9.841 1.00 0.00 H new ATOM 0 HA PHE A 52 6.593 7.841 11.942 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.935 8.757 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.357 10.299 10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.759 7.823 11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.149 11.773 10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.138 8.377 12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.522 12.326 10.596 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.035 10.611 11.569 1.00 0.00 H new ATOM 809 N GLU A 53 4.515 10.292 12.594 1.00 0.00 N ATOM 810 CA GLU A 53 3.995 11.132 13.685 1.00 0.00 C ATOM 811 C GLU A 53 3.445 10.319 14.881 1.00 0.00 C ATOM 812 O GLU A 53 3.331 10.849 15.988 1.00 0.00 O ATOM 813 CB GLU A 53 2.949 12.130 13.143 1.00 0.00 C ATOM 814 CG GLU A 53 3.549 13.080 12.089 1.00 0.00 C ATOM 815 CD GLU A 53 2.658 14.286 11.758 1.00 0.00 C ATOM 816 OE1 GLU A 53 1.821 14.206 10.824 1.00 0.00 O ATOM 817 OE2 GLU A 53 2.817 15.356 12.406 1.00 0.00 O ATOM 0 H GLU A 53 3.933 10.306 11.757 1.00 0.00 H new ATOM 0 HA GLU A 53 4.841 11.692 14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.117 11.580 12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.544 12.715 13.969 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.513 13.441 12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.738 12.519 11.174 1.00 0.00 H new ATOM 824 N LYS A 54 3.144 9.023 14.701 1.00 0.00 N ATOM 825 CA LYS A 54 2.727 8.068 15.748 1.00 0.00 C ATOM 826 C LYS A 54 3.870 7.190 16.289 1.00 0.00 C ATOM 827 O LYS A 54 3.680 6.428 17.237 1.00 0.00 O ATOM 828 CB LYS A 54 1.624 7.160 15.182 1.00 0.00 C ATOM 829 CG LYS A 54 0.472 7.900 14.487 1.00 0.00 C ATOM 830 CD LYS A 54 -0.735 6.964 14.301 1.00 0.00 C ATOM 831 CE LYS A 54 -1.790 7.531 13.343 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.537 8.669 13.921 1.00 0.00 N ATOM 0 H LYS A 54 3.186 8.589 13.779 1.00 0.00 H new ATOM 0 HA LYS A 54 2.371 8.664 16.588 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.073 6.467 14.471 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.214 6.561 15.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.179 8.767 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.803 8.273 13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.388 6.003 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.196 6.777 15.271 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.303 7.852 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.491 6.741 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.236 9.012 13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.026 8.360 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.875 9.436 14.154 1.00 0.00 H new ATOM 846 N SER A 55 5.044 7.279 15.667 1.00 0.00 N ATOM 847 CA SER A 55 6.220 6.392 15.789 1.00 0.00 C ATOM 848 C SER A 55 6.963 6.364 17.145 1.00 0.00 C ATOM 849 O SER A 55 8.141 6.002 17.189 1.00 0.00 O ATOM 850 CB SER A 55 7.184 6.668 14.630 1.00 0.00 C ATOM 851 OG SER A 55 8.102 5.606 14.490 1.00 0.00 O ATOM 0 H SER A 55 5.221 8.035 15.006 1.00 0.00 H new ATOM 0 HA SER A 55 5.805 5.385 15.739 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.623 6.796 13.704 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.721 7.600 14.809 1.00 0.00 H new ATOM 0 HG SER A 55 8.451 5.357 15.371 1.00 0.00 H new ATOM 857 N SER A 56 6.324 6.745 18.255 1.00 0.00 N ATOM 858 CA SER A 56 6.937 6.782 19.598 1.00 0.00 C ATOM 859 C SER A 56 7.448 5.426 20.115 1.00 0.00 C ATOM 860 O SER A 56 8.219 5.398 21.070 1.00 0.00 O ATOM 861 CB SER A 56 5.954 7.370 20.612 1.00 0.00 C ATOM 862 OG SER A 56 4.716 6.678 20.572 1.00 0.00 O ATOM 0 H SER A 56 5.348 7.043 18.252 1.00 0.00 H new ATOM 0 HA SER A 56 7.817 7.415 19.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.378 7.309 21.614 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.792 8.427 20.398 1.00 0.00 H new ATOM 0 HG SER A 56 4.102 7.068 21.229 1.00 0.00 H new ATOM 868 N SER A 57 7.088 4.308 19.480 1.00 0.00 N ATOM 869 CA SER A 57 7.834 3.048 19.565 1.00 0.00 C ATOM 870 C SER A 57 7.862 2.368 18.195 1.00 0.00 C ATOM 871 O SER A 57 6.834 2.296 17.518 1.00 0.00 O ATOM 872 CB SER A 57 7.218 2.104 20.606 1.00 0.00 C ATOM 873 OG SER A 57 7.353 2.649 21.902 1.00 0.00 O ATOM 0 H SER A 57 6.261 4.251 18.885 1.00 0.00 H new ATOM 0 HA SER A 57 8.852 3.277 19.879 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.164 1.941 20.381 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.708 1.131 20.560 1.00 0.00 H new ATOM 0 HG SER A 57 7.778 3.530 21.844 1.00 0.00 H new ATOM 879 N LYS A 58 9.015 1.812 17.796 1.00 0.00 N ATOM 880 CA LYS A 58 9.148 1.028 16.553 1.00 0.00 C ATOM 881 C LYS A 58 8.201 -0.170 16.524 1.00 0.00 C ATOM 882 O LYS A 58 7.669 -0.501 15.473 1.00 0.00 O ATOM 883 CB LYS A 58 10.604 0.571 16.397 1.00 0.00 C ATOM 884 CG LYS A 58 10.916 -0.142 15.108 1.00 0.00 C ATOM 885 CD LYS A 58 12.410 -0.492 15.074 1.00 0.00 C ATOM 886 CE LYS A 58 12.785 -0.794 13.633 1.00 0.00 C ATOM 887 NZ LYS A 58 13.809 -1.858 13.541 1.00 0.00 N ATOM 0 H LYS A 58 9.884 1.891 18.324 1.00 0.00 H new ATOM 0 HA LYS A 58 8.871 1.668 15.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.253 1.443 16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.852 -0.089 17.228 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.316 -1.048 15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.659 0.489 14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.005 0.337 15.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.615 -1.353 15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.895 -1.098 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.160 0.113 13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.037 -2.034 12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.668 -1.558 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.442 -2.731 13.972 1.00 0.00 H new ATOM 901 N GLU A 59 7.939 -0.776 17.679 1.00 0.00 N ATOM 902 CA GLU A 59 7.002 -1.892 17.842 1.00 0.00 C ATOM 903 C GLU A 59 5.557 -1.485 17.491 1.00 0.00 C ATOM 904 O GLU A 59 4.818 -2.263 16.888 1.00 0.00 O ATOM 905 CB GLU A 59 7.088 -2.402 19.293 1.00 0.00 C ATOM 906 CG GLU A 59 8.434 -3.064 19.656 1.00 0.00 C ATOM 907 CD GLU A 59 9.645 -2.122 19.603 1.00 0.00 C ATOM 908 OE1 GLU A 59 9.573 -0.991 20.141 1.00 0.00 O ATOM 909 OE2 GLU A 59 10.678 -2.482 18.989 1.00 0.00 O ATOM 0 H GLU A 59 8.384 -0.499 18.554 1.00 0.00 H new ATOM 0 HA GLU A 59 7.280 -2.688 17.151 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.914 -1.566 19.970 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.286 -3.121 19.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.359 -3.482 20.660 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.609 -3.898 18.976 1.00 0.00 H new ATOM 916 N GLU A 60 5.156 -0.247 17.792 1.00 0.00 N ATOM 917 CA GLU A 60 3.846 0.311 17.426 1.00 0.00 C ATOM 918 C GLU A 60 3.792 0.735 15.949 1.00 0.00 C ATOM 919 O GLU A 60 2.776 0.508 15.287 1.00 0.00 O ATOM 920 CB GLU A 60 3.510 1.484 18.366 1.00 0.00 C ATOM 921 CG GLU A 60 2.761 1.053 19.636 1.00 0.00 C ATOM 922 CD GLU A 60 3.425 -0.109 20.385 1.00 0.00 C ATOM 923 OE1 GLU A 60 4.457 0.118 21.062 1.00 0.00 O ATOM 924 OE2 GLU A 60 2.900 -1.247 20.299 1.00 0.00 O ATOM 0 H GLU A 60 5.742 0.410 18.307 1.00 0.00 H new ATOM 0 HA GLU A 60 3.092 -0.467 17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.434 1.987 18.651 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.904 2.211 17.825 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.683 1.908 20.308 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.745 0.765 19.367 1.00 0.00 H new ATOM 931 N TYR A 61 4.889 1.271 15.393 1.00 0.00 N ATOM 932 CA TYR A 61 5.015 1.523 13.950 1.00 0.00 C ATOM 933 C TYR A 61 4.889 0.209 13.157 1.00 0.00 C ATOM 934 O TYR A 61 4.068 0.102 12.247 1.00 0.00 O ATOM 935 CB TYR A 61 6.344 2.249 13.658 1.00 0.00 C ATOM 936 CG TYR A 61 6.520 2.706 12.215 1.00 0.00 C ATOM 937 CD1 TYR A 61 6.878 1.781 11.213 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.316 4.058 11.869 1.00 0.00 C ATOM 939 CE1 TYR A 61 6.977 2.190 9.869 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.415 4.472 10.525 1.00 0.00 C ATOM 941 CZ TYR A 61 6.724 3.534 9.519 1.00 0.00 C ATOM 942 OH TYR A 61 6.766 3.931 8.221 1.00 0.00 O ATOM 0 H TYR A 61 5.713 1.542 15.930 1.00 0.00 H new ATOM 0 HA TYR A 61 4.202 2.172 13.625 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.418 3.119 14.311 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.169 1.585 13.917 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.077 0.753 11.478 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.083 4.780 12.638 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.247 1.475 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.254 5.508 10.266 1.00 0.00 H new ATOM 0 HH TYR A 61 6.566 4.889 8.165 1.00 0.00 H new ATOM 952 N GLN A 62 5.644 -0.825 13.542 1.00 0.00 N ATOM 953 CA GLN A 62 5.653 -2.135 12.887 1.00 0.00 C ATOM 954 C GLN A 62 4.292 -2.845 12.982 1.00 0.00 C ATOM 955 O GLN A 62 3.807 -3.350 11.963 1.00 0.00 O ATOM 956 CB GLN A 62 6.762 -3.005 13.510 1.00 0.00 C ATOM 957 CG GLN A 62 8.170 -2.631 13.021 1.00 0.00 C ATOM 958 CD GLN A 62 9.275 -3.441 13.701 1.00 0.00 C ATOM 959 OE1 GLN A 62 9.089 -4.131 14.701 1.00 0.00 O ATOM 960 NE2 GLN A 62 10.480 -3.389 13.183 1.00 0.00 N ATOM 0 H GLN A 62 6.281 -0.772 14.337 1.00 0.00 H new ATOM 0 HA GLN A 62 5.852 -1.982 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.724 -2.909 14.595 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.569 -4.052 13.275 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.226 -2.784 11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.341 -1.570 13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.654 -2.822 12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.242 -3.916 13.610 1.00 0.00 H new ATOM 969 N LYS A 63 3.637 -2.824 14.154 1.00 0.00 N ATOM 970 CA LYS A 63 2.264 -3.332 14.328 1.00 0.00 C ATOM 971 C LYS A 63 1.269 -2.582 13.444 1.00 0.00 C ATOM 972 O LYS A 63 0.447 -3.208 12.783 1.00 0.00 O ATOM 973 CB LYS A 63 1.863 -3.225 15.810 1.00 0.00 C ATOM 974 CG LYS A 63 0.446 -3.749 16.110 1.00 0.00 C ATOM 975 CD LYS A 63 -0.033 -3.274 17.485 1.00 0.00 C ATOM 976 CE LYS A 63 -1.479 -3.714 17.735 1.00 0.00 C ATOM 977 NZ LYS A 63 -2.050 -3.025 18.913 1.00 0.00 N ATOM 0 H LYS A 63 4.045 -2.453 15.012 1.00 0.00 H new ATOM 0 HA LYS A 63 2.242 -4.377 14.020 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.581 -3.782 16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.928 -2.182 16.120 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.244 -3.403 15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.442 -4.838 16.076 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.615 -3.679 18.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.038 -2.188 17.545 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.085 -3.499 16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.513 -4.793 17.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.030 -3.342 19.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.484 -3.251 19.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.038 -1.997 18.753 1.00 0.00 H new ATOM 991 N THR A 64 1.344 -1.252 13.394 1.00 0.00 N ATOM 992 CA THR A 64 0.356 -0.438 12.665 1.00 0.00 C ATOM 993 C THR A 64 0.537 -0.546 11.149 1.00 0.00 C ATOM 994 O THR A 64 -0.457 -0.634 10.432 1.00 0.00 O ATOM 995 CB THR A 64 0.376 1.019 13.137 1.00 0.00 C ATOM 996 OG1 THR A 64 0.260 1.072 14.544 1.00 0.00 O ATOM 997 CG2 THR A 64 -0.799 1.824 12.582 1.00 0.00 C ATOM 0 H THR A 64 2.078 -0.709 13.849 1.00 0.00 H new ATOM 0 HA THR A 64 -0.630 -0.841 12.895 1.00 0.00 H new ATOM 0 HB THR A 64 1.317 1.441 12.783 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.150 1.166 14.942 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.741 2.850 12.945 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.760 1.821 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.736 1.375 12.912 1.00 0.00 H new ATOM 1005 N MET A 65 1.777 -0.659 10.654 1.00 0.00 N ATOM 1006 CA MET A 65 2.050 -1.039 9.262 1.00 0.00 C ATOM 1007 C MET A 65 1.409 -2.394 8.918 1.00 0.00 C ATOM 1008 O MET A 65 0.643 -2.475 7.959 1.00 0.00 O ATOM 1009 CB MET A 65 3.564 -1.105 9.001 1.00 0.00 C ATOM 1010 CG MET A 65 4.255 0.245 8.805 1.00 0.00 C ATOM 1011 SD MET A 65 3.640 1.300 7.453 1.00 0.00 S ATOM 1012 CE MET A 65 3.684 0.168 6.035 1.00 0.00 C ATOM 0 H MET A 65 2.618 -0.490 11.207 1.00 0.00 H new ATOM 0 HA MET A 65 1.610 -0.273 8.623 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.038 -1.618 9.838 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.736 -1.715 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.173 0.806 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.316 0.061 8.636 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.418 0.711 5.128 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.687 -0.245 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.973 -0.643 6.194 1.00 0.00 H new ATOM 1022 N LYS A 66 1.639 -3.429 9.738 1.00 0.00 N ATOM 1023 CA LYS A 66 1.034 -4.766 9.586 1.00 0.00 C ATOM 1024 C LYS A 66 -0.496 -4.703 9.617 1.00 0.00 C ATOM 1025 O LYS A 66 -1.149 -5.295 8.766 1.00 0.00 O ATOM 1026 CB LYS A 66 1.671 -5.700 10.627 1.00 0.00 C ATOM 1027 CG LYS A 66 1.295 -7.186 10.496 1.00 0.00 C ATOM 1028 CD LYS A 66 -0.108 -7.491 11.037 1.00 0.00 C ATOM 1029 CE LYS A 66 -0.194 -8.919 11.589 1.00 0.00 C ATOM 1030 NZ LYS A 66 -1.430 -9.122 12.376 1.00 0.00 N ATOM 0 H LYS A 66 2.263 -3.362 10.542 1.00 0.00 H new ATOM 0 HA LYS A 66 1.248 -5.183 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.755 -5.609 10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.386 -5.357 11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.347 -7.479 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.026 -7.790 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.360 -6.779 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.843 -7.361 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.165 -9.631 10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.675 -9.121 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.457 -10.098 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.445 -8.458 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.259 -8.953 11.771 1.00 0.00 H new ATOM 1044 N SER A 67 -1.070 -3.923 10.527 1.00 0.00 N ATOM 1045 CA SER A 67 -2.518 -3.725 10.673 1.00 0.00 C ATOM 1046 C SER A 67 -3.160 -3.043 9.451 1.00 0.00 C ATOM 1047 O SER A 67 -4.206 -3.495 8.976 1.00 0.00 O ATOM 1048 CB SER A 67 -2.759 -2.922 11.952 1.00 0.00 C ATOM 1049 OG SER A 67 -4.130 -2.861 12.299 1.00 0.00 O ATOM 0 H SER A 67 -0.527 -3.392 11.208 1.00 0.00 H new ATOM 0 HA SER A 67 -3.000 -4.701 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.199 -3.372 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.375 -1.911 11.821 1.00 0.00 H new ATOM 0 HG SER A 67 -4.236 -2.340 13.122 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.518 -2.007 8.888 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.949 -1.348 7.641 1.00 0.00 C ATOM 1057 C LYS A 68 -2.830 -2.294 6.441 1.00 0.00 C ATOM 1058 O LYS A 68 -3.763 -2.392 5.645 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.106 -0.074 7.446 1.00 0.00 C ATOM 1060 CG LYS A 68 -2.477 0.794 6.228 1.00 0.00 C ATOM 1061 CD LYS A 68 -3.720 1.684 6.407 1.00 0.00 C ATOM 1062 CE LYS A 68 -5.021 1.025 5.938 1.00 0.00 C ATOM 1063 NZ LYS A 68 -6.130 2.009 5.889 1.00 0.00 N ATOM 0 H LYS A 68 -1.675 -1.597 9.290 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.002 -1.076 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.192 0.537 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.059 -0.364 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.627 1.431 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.640 0.139 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.817 1.950 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.574 2.613 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.875 0.587 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.283 0.210 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.999 1.537 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.282 2.408 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.887 2.773 5.227 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.720 -3.029 6.349 1.00 0.00 N ATOM 1078 CA ILE A 69 -1.469 -4.034 5.307 1.00 0.00 C ATOM 1079 C ILE A 69 -2.486 -5.182 5.380 1.00 0.00 C ATOM 1080 O ILE A 69 -2.969 -5.610 4.337 1.00 0.00 O ATOM 1081 CB ILE A 69 0.004 -4.506 5.383 1.00 0.00 C ATOM 1082 CG1 ILE A 69 0.920 -3.388 4.830 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.246 -5.820 4.622 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.421 -3.646 5.009 1.00 0.00 C ATOM 0 H ILE A 69 -0.950 -2.942 7.012 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.613 -3.585 4.324 1.00 0.00 H new ATOM 0 HB ILE A 69 0.238 -4.706 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.711 -3.257 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.665 -2.450 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.295 -6.103 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.379 -6.606 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.007 -5.683 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.986 -2.812 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.649 -3.745 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.697 -4.565 4.491 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.886 -5.642 6.569 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.938 -6.657 6.724 1.00 0.00 C ATOM 1098 C ASP A 70 -5.297 -6.164 6.203 1.00 0.00 C ATOM 1099 O ASP A 70 -5.975 -6.897 5.486 1.00 0.00 O ATOM 1100 CB ASP A 70 -4.047 -7.093 8.190 1.00 0.00 C ATOM 1101 CG ASP A 70 -5.027 -8.260 8.344 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -4.678 -9.398 7.943 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -6.155 -8.046 8.854 1.00 0.00 O ATOM 0 H ASP A 70 -2.491 -5.322 7.453 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.654 -7.518 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.065 -7.387 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.378 -6.252 8.800 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.665 -4.910 6.487 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.897 -4.308 5.975 1.00 0.00 C ATOM 1110 C ALA A 71 -6.893 -4.173 4.439 1.00 0.00 C ATOM 1111 O ALA A 71 -7.926 -4.387 3.803 1.00 0.00 O ATOM 1112 CB ALA A 71 -7.110 -2.959 6.672 1.00 0.00 C ATOM 0 H ALA A 71 -5.116 -4.286 7.078 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.734 -4.968 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.025 -2.498 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.193 -3.114 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.264 -2.304 6.464 1.00 0.00 H new ATOM 1118 N MET A 72 -5.732 -3.883 3.836 1.00 0.00 N ATOM 1119 CA MET A 72 -5.550 -3.814 2.378 1.00 0.00 C ATOM 1120 C MET A 72 -5.452 -5.201 1.715 1.00 0.00 C ATOM 1121 O MET A 72 -5.961 -5.391 0.611 1.00 0.00 O ATOM 1122 CB MET A 72 -4.307 -2.969 2.059 1.00 0.00 C ATOM 1123 CG MET A 72 -4.457 -1.488 2.427 1.00 0.00 C ATOM 1124 SD MET A 72 -2.902 -0.565 2.273 1.00 0.00 S ATOM 1125 CE MET A 72 -3.520 1.140 2.313 1.00 0.00 C ATOM 0 H MET A 72 -4.877 -3.686 4.356 1.00 0.00 H new ATOM 0 HA MET A 72 -6.439 -3.342 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.451 -3.382 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.088 -3.049 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.210 -1.033 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.822 -1.408 3.451 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.156 1.680 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.610 1.132 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.166 1.634 3.218 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.882 -6.206 2.392 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.933 -7.625 1.985 1.00 0.00 C ATOM 1137 C ARG A 73 -6.378 -8.117 1.909 1.00 0.00 C ATOM 1138 O ARG A 73 -6.787 -8.679 0.894 1.00 0.00 O ATOM 1139 CB ARG A 73 -4.135 -8.477 2.979 1.00 0.00 C ATOM 1140 CG ARG A 73 -2.635 -8.443 2.680 1.00 0.00 C ATOM 1141 CD ARG A 73 -1.867 -8.993 3.882 1.00 0.00 C ATOM 1142 NE ARG A 73 -0.484 -9.336 3.523 1.00 0.00 N ATOM 1143 CZ ARG A 73 0.044 -10.541 3.410 1.00 0.00 C ATOM 1144 NH1 ARG A 73 -0.618 -11.644 3.587 1.00 0.00 N ATOM 1145 NH2 ARG A 73 1.297 -10.637 3.097 1.00 0.00 N ATOM 0 H ARG A 73 -4.361 -6.057 3.256 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.490 -7.719 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.312 -8.115 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.490 -9.507 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.416 -9.036 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.318 -7.422 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.864 -8.254 4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.375 -9.878 4.266 1.00 0.00 H new ATOM 0 HE ARG A 73 0.141 -8.551 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.608 -11.611 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.148 -12.543 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.851 -9.794 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.730 -11.556 3.003 1.00 0.00 H new ATOM 1159 N SER A 74 -7.181 -7.798 2.924 1.00 0.00 N ATOM 1160 CA SER A 74 -8.627 -8.057 2.939 1.00 0.00 C ATOM 1161 C SER A 74 -9.350 -7.384 1.758 1.00 0.00 C ATOM 1162 O SER A 74 -10.281 -7.970 1.199 1.00 0.00 O ATOM 1163 CB SER A 74 -9.211 -7.595 4.278 1.00 0.00 C ATOM 1164 OG SER A 74 -8.602 -8.316 5.335 1.00 0.00 O ATOM 0 H SER A 74 -6.843 -7.345 3.773 1.00 0.00 H new ATOM 0 HA SER A 74 -8.784 -9.130 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.044 -6.526 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.289 -7.753 4.290 1.00 0.00 H new ATOM 0 HG SER A 74 -7.707 -7.955 5.504 1.00 0.00 H new ATOM 1170 N THR A 75 -8.863 -6.218 1.302 1.00 0.00 N ATOM 1171 CA THR A 75 -9.338 -5.554 0.076 1.00 0.00 C ATOM 1172 C THR A 75 -8.937 -6.320 -1.187 1.00 0.00 C ATOM 1173 O THR A 75 -9.820 -6.572 -2.002 1.00 0.00 O ATOM 1174 CB THR A 75 -8.871 -4.091 -0.027 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.068 -3.406 1.186 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.639 -3.304 -1.085 1.00 0.00 C ATOM 0 H THR A 75 -8.121 -5.705 1.778 1.00 0.00 H new ATOM 0 HA THR A 75 -10.426 -5.553 0.149 1.00 0.00 H new ATOM 0 HB THR A 75 -7.815 -4.149 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.505 -3.805 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.270 -2.279 -1.116 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.497 -3.770 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.700 -3.300 -0.836 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.675 -6.774 -1.345 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.256 -7.625 -2.498 1.00 0.00 C ATOM 1186 C ARG A 76 -8.201 -8.803 -2.683 1.00 0.00 C ATOM 1187 O ARG A 76 -8.655 -9.099 -3.780 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.868 -8.278 -2.309 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.693 -7.336 -2.092 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.353 -8.059 -2.316 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.106 -9.148 -1.355 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.038 -9.924 -1.299 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.038 -9.837 -2.127 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -1.971 -10.839 -0.386 1.00 0.00 N ATOM 0 H ARG A 76 -6.921 -6.569 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.252 -6.938 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.924 -8.955 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.657 -8.889 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.771 -6.489 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.728 -6.934 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.333 -8.466 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.542 -7.334 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.834 -9.321 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.051 -9.140 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.241 -10.466 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.737 -10.954 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.153 -11.445 -0.331 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.489 -9.435 -1.557 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.274 -10.662 -1.430 1.00 0.00 C ATOM 1210 C ASP A 77 -10.755 -10.434 -1.785 1.00 0.00 C ATOM 1211 O ASP A 77 -11.364 -11.272 -2.449 1.00 0.00 O ATOM 1212 CB ASP A 77 -9.053 -11.190 -0.003 1.00 0.00 C ATOM 1213 CG ASP A 77 -9.947 -12.375 0.346 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -9.704 -13.511 -0.126 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -10.923 -12.169 1.099 1.00 0.00 O ATOM 0 H ASP A 77 -8.165 -9.090 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.945 -11.416 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.010 -11.485 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.236 -10.384 0.708 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.313 -9.265 -1.446 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.670 -8.862 -1.854 1.00 0.00 C ATOM 1222 C LYS A 78 -12.755 -8.554 -3.333 1.00 0.00 C ATOM 1223 O LYS A 78 -13.539 -9.145 -4.075 1.00 0.00 O ATOM 1224 CB LYS A 78 -13.081 -7.622 -1.040 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.584 -7.319 -1.128 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.964 -6.111 -0.262 1.00 0.00 C ATOM 1227 CE LYS A 78 -16.425 -5.707 -0.505 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.780 -4.405 0.115 1.00 0.00 N ATOM 0 H LYS A 78 -10.835 -8.566 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.347 -9.694 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.807 -7.772 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.520 -6.758 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.857 -7.125 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.152 -8.192 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.819 -6.352 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.307 -5.272 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.607 -5.653 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.081 -6.482 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.777 -4.187 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.635 -4.459 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.176 -3.656 -0.280 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.835 -7.694 -3.765 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.613 -7.340 -5.177 1.00 0.00 C ATOM 1244 C ARG A 79 -11.311 -8.555 -6.058 1.00 0.00 C ATOM 1245 O ARG A 79 -11.493 -8.465 -7.274 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.502 -6.283 -5.298 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.840 -4.939 -4.631 1.00 0.00 C ATOM 1248 CD ARG A 79 -12.165 -4.344 -5.132 1.00 0.00 C ATOM 1249 NE ARG A 79 -12.317 -2.933 -4.744 1.00 0.00 N ATOM 1250 CZ ARG A 79 -13.270 -2.113 -5.139 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -14.262 -2.477 -5.897 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -13.236 -0.873 -4.757 1.00 0.00 N ATOM 0 H ARG A 79 -11.203 -7.207 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.547 -6.918 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.589 -6.678 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.293 -6.110 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.894 -5.078 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.034 -4.231 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.213 -4.429 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.997 -4.922 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.617 -2.552 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.331 -3.443 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.971 -1.797 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.478 -0.544 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.967 -0.227 -5.055 1.00 0.00 H new ATOM 1266 N LYS A 80 -10.929 -9.698 -5.471 1.00 0.00 N ATOM 1267 CA LYS A 80 -10.636 -10.925 -6.219 1.00 0.00 C ATOM 1268 C LYS A 80 -11.915 -11.594 -6.697 1.00 0.00 C ATOM 1269 O LYS A 80 -12.035 -11.871 -7.885 1.00 0.00 O ATOM 1270 CB LYS A 80 -9.757 -11.880 -5.394 1.00 0.00 C ATOM 1271 CG LYS A 80 -9.251 -13.037 -6.267 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.386 -14.016 -5.468 1.00 0.00 C ATOM 1273 CE LYS A 80 -7.797 -15.037 -6.445 1.00 0.00 C ATOM 1274 NZ LYS A 80 -7.091 -16.132 -5.746 1.00 0.00 N ATOM 0 H LYS A 80 -10.815 -9.796 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.066 -10.653 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.910 -11.335 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.328 -12.274 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.101 -13.569 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.673 -12.638 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.590 -13.483 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.983 -14.518 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.596 -15.454 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.106 -14.534 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.708 -16.800 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.312 -15.738 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.756 -16.629 -5.120 1.00 0.00 H new ATOM 1288 N ARG A 81 -12.896 -11.814 -5.817 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.084 -12.632 -6.130 1.00 0.00 C ATOM 1290 C ARG A 81 -15.138 -11.905 -6.949 1.00 0.00 C ATOM 1291 O ARG A 81 -15.718 -12.481 -7.868 1.00 0.00 O ATOM 1292 CB ARG A 81 -14.636 -13.287 -4.858 1.00 0.00 C ATOM 1293 CG ARG A 81 -13.728 -14.454 -4.425 1.00 0.00 C ATOM 1294 CD ARG A 81 -14.237 -15.133 -3.148 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.122 -14.230 -1.992 1.00 0.00 N ATOM 1296 CZ ARG A 81 -13.054 -13.998 -1.254 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -11.938 -14.662 -1.368 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -13.093 -13.057 -0.363 1.00 0.00 N ATOM 0 H ARG A 81 -12.895 -11.435 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.756 -13.432 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.699 -12.549 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.648 -13.651 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.673 -15.188 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.716 -14.084 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.277 -15.431 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.666 -16.043 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.968 -13.724 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.857 -15.409 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.146 -14.435 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.943 -12.507 -0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.274 -12.867 0.214 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.247 -10.601 -6.749 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.002 -9.715 -7.650 1.00 0.00 C ATOM 1314 C GLU A 82 -15.350 -9.580 -9.042 1.00 0.00 C ATOM 1315 O GLU A 82 -16.029 -9.198 -9.999 1.00 0.00 O ATOM 1316 CB GLU A 82 -16.265 -8.348 -6.998 1.00 0.00 C ATOM 1317 CG GLU A 82 -15.005 -7.490 -6.825 1.00 0.00 C ATOM 1318 CD GLU A 82 -15.321 -6.169 -6.114 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -15.867 -6.187 -4.986 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -15.064 -5.085 -6.695 1.00 0.00 O ATOM 0 H GLU A 82 -14.818 -10.117 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.969 -10.189 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.986 -7.800 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.723 -8.504 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.261 -8.044 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.567 -7.284 -7.801 1.00 0.00 H new ATOM 1327 N SER A 83 -14.071 -9.952 -9.191 1.00 0.00 N ATOM 1328 CA SER A 83 -13.392 -10.035 -10.497 1.00 0.00 C ATOM 1329 C SER A 83 -13.489 -11.443 -11.107 1.00 0.00 C ATOM 1330 O SER A 83 -13.911 -11.584 -12.252 1.00 0.00 O ATOM 1331 CB SER A 83 -11.939 -9.558 -10.398 1.00 0.00 C ATOM 1332 OG SER A 83 -11.900 -8.216 -9.942 1.00 0.00 O ATOM 0 H SER A 83 -13.472 -10.206 -8.405 1.00 0.00 H new ATOM 0 HA SER A 83 -13.913 -9.362 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.383 -10.199 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.455 -9.634 -11.372 1.00 0.00 H new ATOM 0 HG SER A 83 -11.836 -8.204 -8.964 1.00 0.00 H new