USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -1.03! C(o=-1.6!,f=-9.4!) USER MOD Set 1.2: A 132 GLN : amide:sc= -0.533 K(o=-1.6,f=-7.2!) USER MOD Set 2.1: A 65 SER OG : rot 177:sc= -0.389! USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0244) USER MOD Set 3.2: A 46 THR OG1 : rot 79:sc= 1.09 USER MOD Set 4.1: A 36 CYS SG : rot -148:sc= 0.0533 USER MOD Set 4.2: A 39 CYS SG : rot 170:sc= -0.652 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 110:sc= -0.0293 USER MOD Single : A 14 ASN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -150:sc= -3.17 USER MOD Single : A 34 SER OG : rot 85:sc= 0.0017 USER MOD Single : A 41 SER OG : rot -53:sc= 0.0942 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.2!) USER MOD Single : A 62 THR OG1 : rot -104:sc= -0.269 USER MOD Single : A 70 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.045) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 48:sc= 0.084 USER MOD Single : A 95 ASN : amide:sc=-0.00583 X(o=-0.0058,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.42) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 126:sc= 1.1 USER MOD Single : A 116 LYS NZ :NH3+ 139:sc= 0.222 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.106 -0.735 12.551 1.00 0.00 N ATOM 125 CA LEU A 9 0.814 0.277 11.553 1.00 0.00 C ATOM 126 C LEU A 9 -0.701 0.471 11.456 1.00 0.00 C ATOM 127 O LEU A 9 -1.440 -0.487 11.234 1.00 0.00 O ATOM 128 CB LEU A 9 1.474 -0.077 10.218 1.00 0.00 C ATOM 129 CG LEU A 9 2.862 0.522 9.976 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.806 2.051 9.980 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.875 -0.018 10.987 1.00 0.00 C ATOM 0 HA LEU A 9 1.241 1.235 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.551 -1.162 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.815 0.247 9.412 1.00 0.00 H new ATOM 0 HG LEU A 9 3.200 0.215 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.804 2.452 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.135 2.393 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.438 2.399 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.853 0.423 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.554 0.240 11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.941 -1.102 10.893 1.00 0.00 H new ATOM 143 N LYS A 10 -1.119 1.717 11.627 1.00 0.00 N ATOM 144 CA LYS A 10 -2.533 2.047 11.563 1.00 0.00 C ATOM 145 C LYS A 10 -2.801 2.876 10.306 1.00 0.00 C ATOM 146 O LYS A 10 -1.895 3.514 9.773 1.00 0.00 O ATOM 147 CB LYS A 10 -2.983 2.728 12.857 1.00 0.00 C ATOM 148 CG LYS A 10 -2.847 1.783 14.052 1.00 0.00 C ATOM 149 CD LYS A 10 -3.572 2.340 15.278 1.00 0.00 C ATOM 150 CE LYS A 10 -2.750 2.118 16.550 1.00 0.00 C ATOM 151 NZ LYS A 10 -3.114 3.113 17.582 1.00 0.00 N ATOM 0 H LYS A 10 -0.504 2.510 11.810 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.133 1.141 11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.385 3.623 13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.020 3.051 12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.257 0.806 13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.792 1.635 14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.758 3.405 15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.544 1.858 15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.922 1.111 16.930 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.687 2.195 16.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.547 2.948 18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.927 4.071 17.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.124 3.021 17.812 1.00 0.00 H new ATOM 164 N THR A 11 -4.050 2.840 9.867 1.00 0.00 N ATOM 165 CA THR A 11 -4.449 3.580 8.682 1.00 0.00 C ATOM 166 C THR A 11 -4.844 5.010 9.054 1.00 0.00 C ATOM 167 O THR A 11 -4.959 5.339 10.234 1.00 0.00 O ATOM 168 CB THR A 11 -5.570 2.800 7.992 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.412 2.381 9.064 1.00 0.00 O ATOM 170 CG2 THR A 11 -5.079 1.491 7.373 1.00 0.00 C ATOM 0 H THR A 11 -4.800 2.310 10.311 1.00 0.00 H new ATOM 0 HA THR A 11 -3.621 3.677 7.980 1.00 0.00 H new ATOM 0 HB THR A 11 -6.020 3.421 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.258 2.874 9.028 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.914 0.978 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.313 1.706 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.659 0.855 8.152 1.00 0.00 H new ATOM 178 N ALA A 12 -5.040 5.823 8.027 1.00 0.00 N ATOM 179 CA ALA A 12 -5.419 7.210 8.229 1.00 0.00 C ATOM 180 C ALA A 12 -6.748 7.265 8.986 1.00 0.00 C ATOM 181 O ALA A 12 -7.116 8.307 9.526 1.00 0.00 O ATOM 182 CB ALA A 12 -5.487 7.925 6.879 1.00 0.00 C ATOM 0 H ALA A 12 -4.943 5.546 7.050 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.673 7.727 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.772 8.966 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.511 7.883 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.227 7.436 6.245 1.00 0.00 H new ATOM 188 N ASP A 13 -7.433 6.130 8.999 1.00 0.00 N ATOM 189 CA ASP A 13 -8.713 6.037 9.679 1.00 0.00 C ATOM 190 C ASP A 13 -8.490 5.534 11.108 1.00 0.00 C ATOM 191 O ASP A 13 -9.412 5.018 11.739 1.00 0.00 O ATOM 192 CB ASP A 13 -9.642 5.050 8.971 1.00 0.00 C ATOM 193 CG ASP A 13 -10.932 5.659 8.418 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.544 6.535 9.046 1.00 0.00 O ATOM 195 OD2 ASP A 13 -11.311 5.191 7.277 1.00 0.00 O ATOM 0 H ASP A 13 -7.125 5.268 8.549 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.169 7.027 9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.096 4.586 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.904 4.255 9.670 1.00 0.00 H new ATOM 201 N ASN A 14 -7.263 5.704 11.576 1.00 0.00 N ATOM 202 CA ASN A 14 -6.908 5.275 12.919 1.00 0.00 C ATOM 203 C ASN A 14 -7.327 3.815 13.108 1.00 0.00 C ATOM 204 O ASN A 14 -7.674 3.404 14.216 1.00 0.00 O ATOM 205 CB ASN A 14 -7.629 6.115 13.974 1.00 0.00 C ATOM 206 CG ASN A 14 -6.639 6.682 14.992 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.557 7.879 15.217 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.894 5.759 15.595 1.00 0.00 N ATOM 0 H ASN A 14 -6.502 6.133 11.050 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.831 5.394 13.039 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.166 6.931 13.490 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.372 5.503 14.486 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.203 6.037 16.292 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.014 4.774 15.360 1.00 0.00 H new ATOM 215 N ARG A 15 -7.278 3.070 12.014 1.00 0.00 N ATOM 216 CA ARG A 15 -7.648 1.666 12.046 1.00 0.00 C ATOM 217 C ARG A 15 -6.396 0.788 12.011 1.00 0.00 C ATOM 218 O ARG A 15 -5.387 1.160 11.414 1.00 0.00 O ATOM 219 CB ARG A 15 -8.549 1.305 10.865 1.00 0.00 C ATOM 220 CG ARG A 15 -9.797 0.553 11.335 1.00 0.00 C ATOM 221 CD ARG A 15 -11.072 1.258 10.867 1.00 0.00 C ATOM 222 NE ARG A 15 -12.223 0.815 11.683 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.832 -0.383 11.546 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.403 -1.268 10.622 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.853 -0.674 12.330 1.00 0.00 N ATOM 0 H ARG A 15 -6.987 3.413 11.099 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.196 1.489 12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.844 2.212 10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.995 0.690 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.778 -0.466 10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.795 0.482 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.951 2.338 10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.255 1.037 9.815 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.579 1.454 12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.613 -1.035 10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.869 -2.170 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.170 0.001 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.325 -1.574 12.240 1.00 0.00 H new ATOM 238 N PRO A 16 -6.504 -0.395 12.675 1.00 0.00 N ATOM 239 CA PRO A 16 -5.393 -1.330 12.724 1.00 0.00 C ATOM 240 C PRO A 16 -5.228 -2.056 11.388 1.00 0.00 C ATOM 241 O PRO A 16 -6.204 -2.533 10.812 1.00 0.00 O ATOM 242 CB PRO A 16 -5.721 -2.269 13.875 1.00 0.00 C ATOM 243 CG PRO A 16 -7.213 -2.116 14.125 1.00 0.00 C ATOM 244 CD PRO A 16 -7.683 -0.871 13.393 1.00 0.00 C ATOM 0 HA PRO A 16 -4.435 -0.837 12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.471 -3.299 13.622 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.147 -2.011 14.765 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.752 -2.994 13.769 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.414 -2.030 15.193 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.499 -1.099 12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.053 -0.118 14.089 1.00 0.00 H new ATOM 252 N ALA A 17 -3.985 -2.118 10.934 1.00 0.00 N ATOM 253 CA ALA A 17 -3.678 -2.778 9.678 1.00 0.00 C ATOM 254 C ALA A 17 -3.955 -4.276 9.813 1.00 0.00 C ATOM 255 O ALA A 17 -4.010 -4.993 8.814 1.00 0.00 O ATOM 256 CB ALA A 17 -2.229 -2.485 9.286 1.00 0.00 C ATOM 0 H ALA A 17 -3.178 -1.721 11.415 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.314 -2.396 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.000 -2.981 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.093 -1.409 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.560 -2.855 10.063 1.00 0.00 H new ATOM 262 N SER A 18 -4.122 -4.705 11.054 1.00 0.00 N ATOM 263 CA SER A 18 -4.390 -6.106 11.332 1.00 0.00 C ATOM 264 C SER A 18 -5.805 -6.468 10.874 1.00 0.00 C ATOM 265 O SER A 18 -6.121 -7.644 10.694 1.00 0.00 O ATOM 266 CB SER A 18 -4.221 -6.414 12.822 1.00 0.00 C ATOM 267 OG SER A 18 -4.104 -7.812 13.067 1.00 0.00 O ATOM 0 H SER A 18 -4.077 -4.107 11.879 1.00 0.00 H new ATOM 0 HA SER A 18 -3.669 -6.709 10.779 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.335 -5.904 13.199 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.075 -6.019 13.373 1.00 0.00 H new ATOM 0 HG SER A 18 -3.996 -7.968 14.029 1.00 0.00 H new ATOM 273 N VAL A 19 -6.618 -5.437 10.699 1.00 0.00 N ATOM 274 CA VAL A 19 -7.991 -5.631 10.264 1.00 0.00 C ATOM 275 C VAL A 19 -7.998 -6.404 8.943 1.00 0.00 C ATOM 276 O VAL A 19 -8.913 -7.182 8.679 1.00 0.00 O ATOM 277 CB VAL A 19 -8.708 -4.283 10.173 1.00 0.00 C ATOM 278 CG1 VAL A 19 -10.037 -4.419 9.429 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.915 -3.677 11.562 1.00 0.00 C ATOM 0 H VAL A 19 -6.352 -4.464 10.851 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.542 -6.227 10.992 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.074 -3.603 9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.527 -3.447 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.853 -4.786 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.680 -5.122 9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.427 -2.719 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.518 -4.353 12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.948 -3.526 12.041 1.00 0.00 H new ATOM 289 N TYR A 20 -6.968 -6.161 8.146 1.00 0.00 N ATOM 290 CA TYR A 20 -6.844 -6.823 6.859 1.00 0.00 C ATOM 291 C TYR A 20 -5.546 -7.627 6.779 1.00 0.00 C ATOM 292 O TYR A 20 -5.021 -7.859 5.691 1.00 0.00 O ATOM 293 CB TYR A 20 -6.804 -5.707 5.813 1.00 0.00 C ATOM 294 CG TYR A 20 -8.177 -5.115 5.484 1.00 0.00 C ATOM 295 CD1 TYR A 20 -8.753 -4.193 6.333 1.00 0.00 C ATOM 296 CD2 TYR A 20 -8.838 -5.503 4.335 1.00 0.00 C ATOM 297 CE1 TYR A 20 -10.044 -3.636 6.023 1.00 0.00 C ATOM 298 CE2 TYR A 20 -10.129 -4.945 4.025 1.00 0.00 C ATOM 299 CZ TYR A 20 -10.668 -4.039 4.884 1.00 0.00 C ATOM 300 OH TYR A 20 -11.887 -3.513 4.591 1.00 0.00 O ATOM 0 H TYR A 20 -6.211 -5.514 8.367 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.672 -7.514 6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.152 -4.910 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.358 -6.096 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.235 -3.889 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.387 -6.224 3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.506 -2.914 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.657 -5.240 3.130 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.212 -3.891 3.748 1.00 0.00 H new ATOM 310 N LEU A 21 -5.063 -8.031 7.945 1.00 0.00 N ATOM 311 CA LEU A 21 -3.834 -8.803 8.021 1.00 0.00 C ATOM 312 C LEU A 21 -3.995 -10.088 7.205 1.00 0.00 C ATOM 313 O LEU A 21 -4.739 -10.987 7.596 1.00 0.00 O ATOM 314 CB LEU A 21 -3.443 -9.045 9.479 1.00 0.00 C ATOM 315 CG LEU A 21 -2.041 -8.583 9.883 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.980 -9.582 9.420 1.00 0.00 C ATOM 317 CD2 LEU A 21 -1.762 -7.168 9.370 1.00 0.00 C ATOM 0 H LEU A 21 -5.501 -7.838 8.846 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.006 -8.247 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.168 -8.541 10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.526 -10.112 9.684 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.993 -8.546 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.007 -9.230 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.172 -10.554 9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.018 -9.676 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.760 -6.863 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.835 -7.154 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.493 -6.478 9.791 1.00 0.00 H new ATOM 329 N LYS A 22 -3.286 -10.135 6.087 1.00 0.00 N ATOM 330 CA LYS A 22 -3.341 -11.295 5.215 1.00 0.00 C ATOM 331 C LYS A 22 -3.082 -12.559 6.036 1.00 0.00 C ATOM 332 O LYS A 22 -1.932 -12.954 6.228 1.00 0.00 O ATOM 333 CB LYS A 22 -2.384 -11.121 4.033 1.00 0.00 C ATOM 334 CG LYS A 22 -0.935 -11.362 4.462 1.00 0.00 C ATOM 335 CD LYS A 22 -0.612 -10.604 5.751 1.00 0.00 C ATOM 336 CE LYS A 22 0.846 -10.819 6.163 1.00 0.00 C ATOM 337 NZ LYS A 22 1.478 -9.530 6.523 1.00 0.00 N ATOM 0 H LYS A 22 -2.670 -9.388 5.765 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.335 -11.398 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.652 -11.816 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.484 -10.115 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.769 -12.429 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.259 -11.042 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.800 -9.540 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.273 -10.940 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.894 -11.503 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.396 -11.285 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.467 -9.694 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.449 -8.889 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.962 -9.101 7.318 1.00 0.00 H new ATOM 350 N LYS A 23 -4.168 -13.158 6.500 1.00 0.00 N ATOM 351 CA LYS A 23 -4.072 -14.370 7.297 1.00 0.00 C ATOM 352 C LYS A 23 -3.535 -15.506 6.426 1.00 0.00 C ATOM 353 O LYS A 23 -4.266 -16.438 6.094 1.00 0.00 O ATOM 354 CB LYS A 23 -5.417 -14.684 7.957 1.00 0.00 C ATOM 355 CG LYS A 23 -5.369 -14.395 9.460 1.00 0.00 C ATOM 356 CD LYS A 23 -6.770 -14.115 10.007 1.00 0.00 C ATOM 357 CE LYS A 23 -6.858 -14.464 11.495 1.00 0.00 C ATOM 358 NZ LYS A 23 -7.488 -13.359 12.251 1.00 0.00 N ATOM 0 H LYS A 23 -5.119 -12.827 6.340 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.365 -14.234 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.202 -14.087 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.672 -15.731 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.933 -15.245 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.722 -13.538 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.018 -13.064 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.505 -14.696 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.437 -15.378 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.860 -14.659 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.540 -13.613 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.920 -12.495 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.448 -13.192 11.887 1.00 0.00 H new ATOM 371 N ASP A 24 -2.260 -15.393 6.080 1.00 0.00 N ATOM 372 CA ASP A 24 -1.616 -16.400 5.256 1.00 0.00 C ATOM 373 C ASP A 24 -1.938 -16.127 3.783 1.00 0.00 C ATOM 374 O ASP A 24 -2.155 -17.058 3.010 1.00 0.00 O ATOM 375 CB ASP A 24 -2.125 -17.802 5.598 1.00 0.00 C ATOM 376 CG ASP A 24 -1.090 -18.919 5.451 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.520 -19.394 6.443 1.00 0.00 O ATOM 378 OD2 ASP A 24 -0.874 -19.306 4.240 1.00 0.00 O ATOM 0 H ASP A 24 -1.656 -14.618 6.356 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.543 -16.352 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.491 -17.799 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.977 -18.030 4.957 1.00 0.00 H new ATOM 384 N LYS A 25 -1.954 -14.848 3.442 1.00 0.00 N ATOM 385 CA LYS A 25 -2.244 -14.442 2.077 1.00 0.00 C ATOM 386 C LYS A 25 -1.191 -13.433 1.616 1.00 0.00 C ATOM 387 O LYS A 25 -0.485 -12.849 2.435 1.00 0.00 O ATOM 388 CB LYS A 25 -3.680 -13.925 1.966 1.00 0.00 C ATOM 389 CG LYS A 25 -4.671 -15.083 1.833 1.00 0.00 C ATOM 390 CD LYS A 25 -6.113 -14.572 1.805 1.00 0.00 C ATOM 391 CE LYS A 25 -6.621 -14.439 0.369 1.00 0.00 C ATOM 392 NZ LYS A 25 -7.898 -15.171 0.201 1.00 0.00 N ATOM 0 H LYS A 25 -1.771 -14.079 4.086 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.184 -15.297 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.925 -13.331 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.767 -13.266 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.462 -15.642 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.542 -15.774 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.755 -15.256 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.169 -13.605 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.763 -13.387 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.877 -14.831 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.229 -15.071 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.752 -16.178 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.611 -14.779 0.849 1.00 0.00 H new ATOM 405 N PRO A 26 -1.116 -13.255 0.269 1.00 0.00 N ATOM 406 CA PRO A 26 -0.161 -12.328 -0.312 1.00 0.00 C ATOM 407 C PRO A 26 -0.611 -10.879 -0.112 1.00 0.00 C ATOM 408 O PRO A 26 -1.752 -10.532 -0.413 1.00 0.00 O ATOM 409 CB PRO A 26 -0.068 -12.724 -1.776 1.00 0.00 C ATOM 410 CG PRO A 26 -1.312 -13.549 -2.064 1.00 0.00 C ATOM 411 CD PRO A 26 -1.937 -13.932 -0.733 1.00 0.00 C ATOM 0 HA PRO A 26 0.818 -12.381 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.026 -11.843 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.837 -13.301 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.018 -12.977 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.055 -14.441 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.977 -13.610 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.929 -15.012 -0.588 1.00 0.00 H new ATOM 419 N THR A 27 0.309 -10.072 0.396 1.00 0.00 N ATOM 420 CA THR A 27 0.021 -8.670 0.641 1.00 0.00 C ATOM 421 C THR A 27 0.835 -7.785 -0.305 1.00 0.00 C ATOM 422 O THR A 27 1.997 -8.077 -0.590 1.00 0.00 O ATOM 423 CB THR A 27 0.288 -8.383 2.120 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.739 -9.098 2.802 1.00 0.00 O ATOM 425 CG2 THR A 27 0.030 -6.920 2.488 1.00 0.00 C ATOM 0 H THR A 27 1.255 -10.363 0.645 1.00 0.00 H new ATOM 0 HA THR A 27 -1.024 -8.440 0.434 1.00 0.00 H new ATOM 0 HB THR A 27 1.319 -8.642 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.959 -8.637 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.234 -6.770 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.682 -6.276 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.011 -6.671 2.280 1.00 0.00 H new ATOM 433 N LEU A 28 0.194 -6.722 -0.769 1.00 0.00 N ATOM 434 CA LEU A 28 0.844 -5.793 -1.677 1.00 0.00 C ATOM 435 C LEU A 28 0.743 -4.375 -1.109 1.00 0.00 C ATOM 436 O LEU A 28 -0.349 -3.905 -0.795 1.00 0.00 O ATOM 437 CB LEU A 28 0.270 -5.932 -3.089 1.00 0.00 C ATOM 438 CG LEU A 28 0.972 -5.126 -4.182 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.378 -5.670 -4.447 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.127 -5.078 -5.456 1.00 0.00 C ATOM 0 H LEU A 28 -0.769 -6.484 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 28 1.905 -6.027 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.297 -6.985 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.779 -5.636 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 28 1.084 -4.100 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.855 -5.079 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.970 -5.609 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.311 -6.710 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.649 -4.499 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.039 -6.092 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.833 -4.609 -5.239 1.00 0.00 H new ATOM 452 N ILE A 29 1.897 -3.734 -0.995 1.00 0.00 N ATOM 453 CA ILE A 29 1.952 -2.380 -0.472 1.00 0.00 C ATOM 454 C ILE A 29 2.261 -1.409 -1.612 1.00 0.00 C ATOM 455 O ILE A 29 2.942 -1.768 -2.571 1.00 0.00 O ATOM 456 CB ILE A 29 2.942 -2.296 0.692 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.829 -3.524 1.599 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.762 -0.990 1.470 1.00 0.00 C ATOM 459 CD1 ILE A 29 1.391 -3.715 2.086 1.00 0.00 C ATOM 0 H ILE A 29 2.801 -4.128 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 29 0.985 -2.091 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 29 3.952 -2.291 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.154 -4.412 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.495 -3.411 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.477 -0.955 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.932 -0.144 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.749 -0.941 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.338 -4.594 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.077 -2.835 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.732 -3.852 1.229 1.00 0.00 H new ATOM 471 N LYS A 30 1.743 -0.196 -1.471 1.00 0.00 N ATOM 472 CA LYS A 30 1.954 0.830 -2.478 1.00 0.00 C ATOM 473 C LYS A 30 2.218 2.169 -1.787 1.00 0.00 C ATOM 474 O LYS A 30 1.367 2.671 -1.054 1.00 0.00 O ATOM 475 CB LYS A 30 0.783 0.865 -3.462 1.00 0.00 C ATOM 476 CG LYS A 30 0.967 1.979 -4.493 1.00 0.00 C ATOM 477 CD LYS A 30 0.165 3.223 -4.105 1.00 0.00 C ATOM 478 CE LYS A 30 -0.740 3.673 -5.254 1.00 0.00 C ATOM 479 NZ LYS A 30 -1.496 4.888 -4.874 1.00 0.00 N ATOM 0 H LYS A 30 1.178 0.098 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 30 2.835 0.601 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.701 -0.096 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.149 1.018 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.024 2.234 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.648 1.628 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.440 3.010 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.846 4.030 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.139 3.874 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.433 2.873 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.202 5.101 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.978 4.727 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.840 5.690 -4.781 1.00 0.00 H new ATOM 492 N PHE A 31 3.399 2.710 -2.046 1.00 0.00 N ATOM 493 CA PHE A 31 3.784 3.982 -1.460 1.00 0.00 C ATOM 494 C PHE A 31 3.424 5.146 -2.385 1.00 0.00 C ATOM 495 O PHE A 31 3.680 5.090 -3.587 1.00 0.00 O ATOM 496 CB PHE A 31 5.302 3.946 -1.272 1.00 0.00 C ATOM 497 CG PHE A 31 5.804 2.732 -0.489 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.991 1.543 -1.122 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.064 2.841 0.842 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.458 0.416 -0.395 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.530 1.714 1.570 1.00 0.00 C ATOM 502 CZ PHE A 31 6.716 0.525 0.936 1.00 0.00 C ATOM 0 H PHE A 31 4.102 2.290 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 31 3.260 4.130 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.779 3.956 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.615 4.853 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.784 1.456 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.916 3.785 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.608 -0.527 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.737 1.801 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.069 -0.333 1.490 1.00 0.00 H new ATOM 512 N TRP A 32 2.835 6.172 -1.790 1.00 0.00 N ATOM 513 CA TRP A 32 2.436 7.348 -2.546 1.00 0.00 C ATOM 514 C TRP A 32 2.666 8.578 -1.665 1.00 0.00 C ATOM 515 O TRP A 32 2.879 8.451 -0.460 1.00 0.00 O ATOM 516 CB TRP A 32 0.991 7.222 -3.034 1.00 0.00 C ATOM 517 CG TRP A 32 -0.043 7.169 -1.907 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.207 6.213 -0.982 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.055 8.156 -1.622 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.248 6.511 -0.126 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.780 7.731 -0.526 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.349 9.371 -2.267 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.843 8.458 0.019 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.416 10.085 -1.709 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.155 9.671 -0.608 1.00 0.00 C ATOM 0 H TRP A 32 2.624 6.214 -0.793 1.00 0.00 H new ATOM 0 HA TRP A 32 3.039 7.450 -3.448 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.763 8.067 -3.684 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.900 6.320 -3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.399 5.322 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.568 5.940 0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.796 9.725 -3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.394 8.103 0.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.684 11.025 -2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.966 10.281 -0.238 1.00 0.00 H new ATOM 536 N ALA A 33 2.614 9.739 -2.300 1.00 0.00 N ATOM 537 CA ALA A 33 2.815 10.990 -1.590 1.00 0.00 C ATOM 538 C ALA A 33 1.680 11.956 -1.938 1.00 0.00 C ATOM 539 O ALA A 33 1.080 11.856 -3.006 1.00 0.00 O ATOM 540 CB ALA A 33 4.191 11.559 -1.935 1.00 0.00 C ATOM 0 H ALA A 33 2.435 9.840 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 33 2.792 10.827 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.341 12.498 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.963 10.848 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.252 11.738 -3.008 1.00 0.00 H new ATOM 546 N SER A 34 1.419 12.870 -1.015 1.00 0.00 N ATOM 547 CA SER A 34 0.368 13.853 -1.210 1.00 0.00 C ATOM 548 C SER A 34 0.793 14.871 -2.270 1.00 0.00 C ATOM 549 O SER A 34 -0.040 15.376 -3.021 1.00 0.00 O ATOM 550 CB SER A 34 0.026 14.563 0.101 1.00 0.00 C ATOM 551 OG SER A 34 -0.832 13.778 0.927 1.00 0.00 O ATOM 0 H SER A 34 1.918 12.950 -0.129 1.00 0.00 H new ATOM 0 HA SER A 34 -0.526 13.333 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.945 14.786 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.455 15.516 -0.118 1.00 0.00 H new ATOM 0 HG SER A 34 -0.293 13.160 1.464 1.00 0.00 H new ATOM 557 N TRP A 35 2.090 15.143 -2.296 1.00 0.00 N ATOM 558 CA TRP A 35 2.637 16.092 -3.250 1.00 0.00 C ATOM 559 C TRP A 35 2.597 15.444 -4.636 1.00 0.00 C ATOM 560 O TRP A 35 2.795 16.118 -5.645 1.00 0.00 O ATOM 561 CB TRP A 35 4.041 16.536 -2.838 1.00 0.00 C ATOM 562 CG TRP A 35 4.989 15.382 -2.508 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.417 14.985 -1.302 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.611 14.482 -3.452 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.267 13.901 -1.399 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.387 13.586 -2.747 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.517 14.430 -4.854 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.133 12.571 -3.360 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.270 13.409 -5.450 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.057 12.500 -4.757 1.00 0.00 C ATOM 0 H TRP A 35 2.778 14.722 -1.671 1.00 0.00 H new ATOM 0 HA TRP A 35 2.040 17.003 -3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.474 17.129 -3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.964 17.189 -1.968 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.133 15.454 -0.371 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.723 13.420 -0.624 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.914 15.120 -5.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.734 11.881 -2.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.235 13.324 -6.526 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.608 11.741 -5.292 1.00 0.00 H new ATOM 581 N CYS A 36 2.340 14.145 -4.640 1.00 0.00 N ATOM 582 CA CYS A 36 2.271 13.399 -5.884 1.00 0.00 C ATOM 583 C CYS A 36 0.835 13.466 -6.406 1.00 0.00 C ATOM 584 O CYS A 36 -0.081 12.926 -5.787 1.00 0.00 O ATOM 585 CB CYS A 36 2.747 11.956 -5.706 1.00 0.00 C ATOM 586 SG CYS A 36 2.787 11.105 -7.326 1.00 0.00 S ATOM 0 H CYS A 36 2.177 13.589 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 36 2.944 13.846 -6.616 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.740 11.945 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.082 11.426 -5.024 1.00 0.00 H new ATOM 0 HG CYS A 36 2.518 9.844 -7.160 1.00 0.00 H new ATOM 592 N PRO A 37 0.679 14.151 -7.571 1.00 0.00 N ATOM 593 CA PRO A 37 -0.631 14.296 -8.183 1.00 0.00 C ATOM 594 C PRO A 37 -1.072 12.992 -8.852 1.00 0.00 C ATOM 595 O PRO A 37 -2.171 12.501 -8.599 1.00 0.00 O ATOM 596 CB PRO A 37 -0.481 15.446 -9.166 1.00 0.00 C ATOM 597 CG PRO A 37 1.012 15.597 -9.406 1.00 0.00 C ATOM 598 CD PRO A 37 1.739 14.804 -8.332 1.00 0.00 C ATOM 0 HA PRO A 37 -1.413 14.511 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.007 15.235 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.906 16.364 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.278 15.230 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.301 16.647 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.419 14.074 -8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.339 15.456 -7.697 1.00 0.00 H new ATOM 606 N LEU A 38 -0.190 12.469 -9.691 1.00 0.00 N ATOM 607 CA LEU A 38 -0.474 11.231 -10.398 1.00 0.00 C ATOM 608 C LEU A 38 -0.962 10.178 -9.399 1.00 0.00 C ATOM 609 O LEU A 38 -1.787 9.331 -9.739 1.00 0.00 O ATOM 610 CB LEU A 38 0.743 10.788 -11.213 1.00 0.00 C ATOM 611 CG LEU A 38 1.718 9.847 -10.502 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.580 8.417 -11.028 1.00 0.00 C ATOM 613 CD2 LEU A 38 3.154 10.361 -10.613 1.00 0.00 C ATOM 0 H LEU A 38 0.721 12.879 -9.897 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.276 11.381 -11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.389 10.296 -12.119 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.290 11.678 -11.526 1.00 0.00 H new ATOM 0 HG LEU A 38 1.463 9.827 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.284 7.768 -10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.564 8.063 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.794 8.400 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.827 9.674 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.436 10.428 -11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.224 11.348 -10.155 1.00 0.00 H new ATOM 625 N CYS A 39 -0.433 10.268 -8.188 1.00 0.00 N ATOM 626 CA CYS A 39 -0.805 9.335 -7.138 1.00 0.00 C ATOM 627 C CYS A 39 -2.203 9.706 -6.637 1.00 0.00 C ATOM 628 O CYS A 39 -3.073 8.846 -6.527 1.00 0.00 O ATOM 629 CB CYS A 39 0.223 9.321 -6.004 1.00 0.00 C ATOM 630 SG CYS A 39 1.515 8.070 -6.345 1.00 0.00 S ATOM 0 H CYS A 39 0.250 10.973 -7.910 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.822 8.321 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.677 10.306 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.270 9.098 -5.058 1.00 0.00 H new ATOM 0 HG CYS A 39 2.490 8.210 -5.496 1.00 0.00 H new ATOM 636 N LEU A 40 -2.371 10.988 -6.349 1.00 0.00 N ATOM 637 CA LEU A 40 -3.647 11.483 -5.863 1.00 0.00 C ATOM 638 C LEU A 40 -4.762 11.020 -6.804 1.00 0.00 C ATOM 639 O LEU A 40 -5.823 10.594 -6.353 1.00 0.00 O ATOM 640 CB LEU A 40 -3.596 13.000 -5.672 1.00 0.00 C ATOM 641 CG LEU A 40 -2.926 13.492 -4.387 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.234 14.839 -4.610 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.929 13.546 -3.232 1.00 0.00 C ATOM 0 H LEU A 40 -1.645 11.698 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.866 11.067 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.071 13.436 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.616 13.384 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.153 12.776 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.766 15.166 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.472 14.733 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.970 15.578 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.427 13.899 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.740 14.228 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.334 12.550 -3.055 1.00 0.00 H new ATOM 655 N SER A 41 -4.480 11.119 -8.096 1.00 0.00 N ATOM 656 CA SER A 41 -5.445 10.714 -9.103 1.00 0.00 C ATOM 657 C SER A 41 -5.490 9.188 -9.204 1.00 0.00 C ATOM 658 O SER A 41 -6.500 8.618 -9.614 1.00 0.00 O ATOM 659 CB SER A 41 -5.108 11.327 -10.465 1.00 0.00 C ATOM 660 OG SER A 41 -4.379 10.424 -11.290 1.00 0.00 O ATOM 0 H SER A 41 -3.598 11.473 -8.467 1.00 0.00 H new ATOM 0 HA SER A 41 -6.427 11.079 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.029 11.617 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.525 12.236 -10.319 1.00 0.00 H new ATOM 0 HG SER A 41 -3.591 10.101 -10.805 1.00 0.00 H new ATOM 666 N GLU A 42 -4.380 8.570 -8.826 1.00 0.00 N ATOM 667 CA GLU A 42 -4.279 7.122 -8.868 1.00 0.00 C ATOM 668 C GLU A 42 -4.939 6.507 -7.631 1.00 0.00 C ATOM 669 O GLU A 42 -5.147 5.297 -7.572 1.00 0.00 O ATOM 670 CB GLU A 42 -2.821 6.677 -8.990 1.00 0.00 C ATOM 671 CG GLU A 42 -2.727 5.167 -9.218 1.00 0.00 C ATOM 672 CD GLU A 42 -1.404 4.797 -9.896 1.00 0.00 C ATOM 673 OE1 GLU A 42 -0.516 4.221 -9.250 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.319 5.128 -11.140 1.00 0.00 O ATOM 0 H GLU A 42 -3.543 9.046 -8.489 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.808 6.766 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.344 7.204 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.278 6.946 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.810 4.646 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.562 4.836 -9.836 1.00 0.00 H new ATOM 682 N LEU A 43 -5.249 7.369 -6.675 1.00 0.00 N ATOM 683 CA LEU A 43 -5.879 6.927 -5.443 1.00 0.00 C ATOM 684 C LEU A 43 -7.166 6.170 -5.777 1.00 0.00 C ATOM 685 O LEU A 43 -7.357 5.038 -5.336 1.00 0.00 O ATOM 686 CB LEU A 43 -6.090 8.109 -4.494 1.00 0.00 C ATOM 687 CG LEU A 43 -4.850 8.589 -3.736 1.00 0.00 C ATOM 688 CD1 LEU A 43 -5.227 9.611 -2.662 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.069 7.409 -3.157 1.00 0.00 C ATOM 0 H LEU A 43 -5.075 8.373 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.229 6.233 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.486 8.946 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.853 7.833 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.191 9.093 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.328 9.936 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.705 10.471 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.916 9.155 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.193 7.779 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.706 6.854 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.750 6.752 -3.966 1.00 0.00 H new ATOM 701 N GLY A 44 -8.015 6.825 -6.556 1.00 0.00 N ATOM 702 CA GLY A 44 -9.278 6.228 -6.955 1.00 0.00 C ATOM 703 C GLY A 44 -9.055 4.872 -7.626 1.00 0.00 C ATOM 704 O GLY A 44 -9.744 3.901 -7.317 1.00 0.00 O ATOM 0 H GLY A 44 -7.853 7.763 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.918 6.105 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.800 6.896 -7.641 1.00 0.00 H new ATOM 708 N GLN A 45 -8.091 4.850 -8.535 1.00 0.00 N ATOM 709 CA GLN A 45 -7.770 3.627 -9.253 1.00 0.00 C ATOM 710 C GLN A 45 -7.304 2.545 -8.279 1.00 0.00 C ATOM 711 O GLN A 45 -7.559 1.361 -8.492 1.00 0.00 O ATOM 712 CB GLN A 45 -6.714 3.888 -10.330 1.00 0.00 C ATOM 713 CG GLN A 45 -6.525 2.658 -11.221 1.00 0.00 C ATOM 714 CD GLN A 45 -6.729 3.013 -12.696 1.00 0.00 C ATOM 715 OE1 GLN A 45 -5.817 3.420 -13.394 1.00 0.00 O ATOM 716 NE2 GLN A 45 -7.975 2.834 -13.128 1.00 0.00 N ATOM 0 H GLN A 45 -7.523 5.657 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.672 3.273 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.014 4.741 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.766 4.150 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.525 2.250 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.231 1.881 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.692 2.490 -12.489 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.213 3.041 -14.098 1.00 0.00 H new ATOM 725 N THR A 46 -6.629 2.990 -7.228 1.00 0.00 N ATOM 726 CA THR A 46 -6.125 2.074 -6.219 1.00 0.00 C ATOM 727 C THR A 46 -7.283 1.466 -5.424 1.00 0.00 C ATOM 728 O THR A 46 -7.238 0.295 -5.052 1.00 0.00 O ATOM 729 CB THR A 46 -5.123 2.833 -5.349 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.046 3.127 -6.234 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.492 1.947 -4.273 1.00 0.00 C ATOM 0 H THR A 46 -6.420 3.973 -7.054 1.00 0.00 H new ATOM 0 HA THR A 46 -5.607 1.230 -6.675 1.00 0.00 H new ATOM 0 HB THR A 46 -5.622 3.678 -4.875 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.284 3.894 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.789 2.535 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.272 1.555 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.965 1.119 -4.747 1.00 0.00 H new ATOM 739 N GLU A 47 -8.294 2.290 -5.189 1.00 0.00 N ATOM 740 CA GLU A 47 -9.462 1.850 -4.445 1.00 0.00 C ATOM 741 C GLU A 47 -10.253 0.824 -5.260 1.00 0.00 C ATOM 742 O GLU A 47 -10.717 -0.179 -4.721 1.00 0.00 O ATOM 743 CB GLU A 47 -10.341 3.037 -4.053 1.00 0.00 C ATOM 744 CG GLU A 47 -11.321 2.649 -2.943 1.00 0.00 C ATOM 745 CD GLU A 47 -12.408 3.713 -2.775 1.00 0.00 C ATOM 746 OE1 GLU A 47 -12.941 4.217 -3.775 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.695 4.011 -1.553 1.00 0.00 O ATOM 0 H GLU A 47 -8.328 3.260 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.126 1.372 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.714 3.863 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.893 3.389 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.780 1.689 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.782 2.524 -2.004 1.00 0.00 H new ATOM 755 N LYS A 48 -10.385 1.113 -6.547 1.00 0.00 N ATOM 756 CA LYS A 48 -11.113 0.230 -7.441 1.00 0.00 C ATOM 757 C LYS A 48 -10.380 -1.108 -7.538 1.00 0.00 C ATOM 758 O LYS A 48 -11.008 -2.157 -7.682 1.00 0.00 O ATOM 759 CB LYS A 48 -11.339 0.906 -8.795 1.00 0.00 C ATOM 760 CG LYS A 48 -11.934 -0.076 -9.806 1.00 0.00 C ATOM 761 CD LYS A 48 -12.552 0.666 -10.994 1.00 0.00 C ATOM 762 CE LYS A 48 -12.184 -0.012 -12.315 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.284 -0.887 -12.773 1.00 0.00 N ATOM 0 H LYS A 48 -10.000 1.946 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.107 0.022 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.008 1.758 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.394 1.295 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.157 -0.754 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.694 -0.688 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.636 0.695 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.205 1.699 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.974 0.744 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.274 -0.598 -12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.017 -1.339 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.466 -1.619 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.144 -0.319 -12.914 1.00 0.00 H new ATOM 776 N TRP A 49 -9.060 -1.032 -7.453 1.00 0.00 N ATOM 777 CA TRP A 49 -8.234 -2.225 -7.529 1.00 0.00 C ATOM 778 C TRP A 49 -8.437 -3.023 -6.239 1.00 0.00 C ATOM 779 O TRP A 49 -8.411 -4.252 -6.256 1.00 0.00 O ATOM 780 CB TRP A 49 -6.770 -1.863 -7.784 1.00 0.00 C ATOM 781 CG TRP A 49 -6.465 -1.485 -9.234 1.00 0.00 C ATOM 782 CD1 TRP A 49 -7.327 -1.093 -10.183 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.167 -1.480 -9.868 1.00 0.00 C ATOM 784 NE1 TRP A 49 -6.682 -0.835 -11.376 1.00 0.00 N ATOM 785 CE2 TRP A 49 -5.328 -1.079 -11.178 1.00 0.00 C ATOM 786 CE3 TRP A 49 -3.902 -1.804 -9.349 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -4.263 -0.964 -12.080 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -2.849 -1.684 -10.263 1.00 0.00 C ATOM 789 CH2 TRP A 49 -2.992 -1.281 -11.585 1.00 0.00 C ATOM 0 H TRP A 49 -8.542 -0.162 -7.332 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.531 -2.847 -8.374 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.495 -1.030 -7.137 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.143 -2.708 -7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.392 -0.992 -10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.119 -0.523 -12.243 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.754 -2.120 -8.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.414 -0.648 -13.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.854 -1.922 -9.916 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.127 -1.213 -12.228 1.00 0.00 H new ATOM 800 N ALA A 50 -8.635 -2.291 -5.153 1.00 0.00 N ATOM 801 CA ALA A 50 -8.843 -2.915 -3.858 1.00 0.00 C ATOM 802 C ALA A 50 -10.277 -3.442 -3.774 1.00 0.00 C ATOM 803 O ALA A 50 -10.613 -4.194 -2.860 1.00 0.00 O ATOM 804 CB ALA A 50 -8.525 -1.909 -2.749 1.00 0.00 C ATOM 0 H ALA A 50 -8.656 -1.271 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.172 -3.764 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.681 -2.377 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.487 -1.589 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.181 -1.043 -2.844 1.00 0.00 H new ATOM 810 N GLN A 51 -11.082 -3.027 -4.740 1.00 0.00 N ATOM 811 CA GLN A 51 -12.472 -3.448 -4.787 1.00 0.00 C ATOM 812 C GLN A 51 -12.658 -4.556 -5.826 1.00 0.00 C ATOM 813 O GLN A 51 -13.699 -5.208 -5.864 1.00 0.00 O ATOM 814 CB GLN A 51 -13.396 -2.262 -5.079 1.00 0.00 C ATOM 815 CG GLN A 51 -13.518 -1.348 -3.858 1.00 0.00 C ATOM 816 CD GLN A 51 -14.985 -1.125 -3.485 1.00 0.00 C ATOM 817 OE1 GLN A 51 -15.584 -0.109 -3.795 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.529 -2.131 -2.805 1.00 0.00 N ATOM 0 H GLN A 51 -10.799 -2.404 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.743 -3.845 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.009 -1.694 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.383 -2.627 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.988 -1.789 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.043 -0.390 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.971 -2.954 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.504 -2.079 -2.511 1.00 0.00 H new ATOM 827 N ASP A 52 -11.630 -4.733 -6.643 1.00 0.00 N ATOM 828 CA ASP A 52 -11.665 -5.750 -7.680 1.00 0.00 C ATOM 829 C ASP A 52 -11.521 -7.133 -7.038 1.00 0.00 C ATOM 830 O ASP A 52 -10.618 -7.356 -6.234 1.00 0.00 O ATOM 831 CB ASP A 52 -10.514 -5.568 -8.671 1.00 0.00 C ATOM 832 CG ASP A 52 -10.569 -6.476 -9.901 1.00 0.00 C ATOM 833 OD1 ASP A 52 -11.591 -7.122 -10.171 1.00 0.00 O ATOM 834 OD2 ASP A 52 -9.488 -6.505 -10.606 1.00 0.00 O ATOM 0 H ASP A 52 -10.768 -4.189 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.614 -5.658 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.503 -4.530 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.574 -5.745 -8.149 1.00 0.00 H new ATOM 840 N ALA A 53 -12.426 -8.022 -7.417 1.00 0.00 N ATOM 841 CA ALA A 53 -12.412 -9.375 -6.888 1.00 0.00 C ATOM 842 C ALA A 53 -11.104 -10.060 -7.288 1.00 0.00 C ATOM 843 O ALA A 53 -10.562 -10.864 -6.530 1.00 0.00 O ATOM 844 CB ALA A 53 -13.643 -10.132 -7.388 1.00 0.00 C ATOM 0 H ALA A 53 -13.174 -7.832 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.458 -9.362 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.632 -11.147 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.545 -9.621 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.630 -10.168 -8.477 1.00 0.00 H new ATOM 850 N LYS A 54 -10.634 -9.718 -8.478 1.00 0.00 N ATOM 851 CA LYS A 54 -9.399 -10.290 -8.988 1.00 0.00 C ATOM 852 C LYS A 54 -8.260 -9.986 -8.013 1.00 0.00 C ATOM 853 O LYS A 54 -7.406 -10.836 -7.766 1.00 0.00 O ATOM 854 CB LYS A 54 -9.133 -9.806 -10.415 1.00 0.00 C ATOM 855 CG LYS A 54 -9.627 -10.828 -11.442 1.00 0.00 C ATOM 856 CD LYS A 54 -8.451 -11.470 -12.183 1.00 0.00 C ATOM 857 CE LYS A 54 -8.789 -12.901 -12.608 1.00 0.00 C ATOM 858 NZ LYS A 54 -7.967 -13.873 -11.853 1.00 0.00 N ATOM 0 H LYS A 54 -11.086 -9.052 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.481 -11.375 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.632 -8.851 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.065 -9.635 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.211 -11.600 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.290 -10.340 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.201 -10.875 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.570 -11.476 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.847 -13.098 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.614 -13.020 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.209 -14.839 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.960 -13.694 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.155 -13.770 -10.835 1.00 0.00 H new ATOM 871 N PHE A 55 -8.285 -8.770 -7.485 1.00 0.00 N ATOM 872 CA PHE A 55 -7.265 -8.345 -6.543 1.00 0.00 C ATOM 873 C PHE A 55 -7.496 -8.968 -5.165 1.00 0.00 C ATOM 874 O PHE A 55 -6.552 -9.160 -4.401 1.00 0.00 O ATOM 875 CB PHE A 55 -7.373 -6.822 -6.426 1.00 0.00 C ATOM 876 CG PHE A 55 -6.308 -6.060 -7.217 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.023 -6.032 -6.776 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.648 -5.409 -8.362 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.034 -5.323 -7.510 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.661 -4.701 -9.097 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.373 -4.674 -8.655 1.00 0.00 C ATOM 0 H PHE A 55 -8.995 -8.067 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.281 -8.659 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.359 -6.510 -6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.300 -6.543 -5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.753 -6.549 -5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.669 -5.431 -8.712 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.013 -5.300 -7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.931 -4.184 -10.006 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.621 -4.137 -9.214 1.00 0.00 H new ATOM 891 N SER A 56 -8.757 -9.265 -4.890 1.00 0.00 N ATOM 892 CA SER A 56 -9.124 -9.864 -3.617 1.00 0.00 C ATOM 893 C SER A 56 -8.163 -11.004 -3.276 1.00 0.00 C ATOM 894 O SER A 56 -7.722 -11.131 -2.136 1.00 0.00 O ATOM 895 CB SER A 56 -10.565 -10.375 -3.645 1.00 0.00 C ATOM 896 OG SER A 56 -11.283 -10.016 -2.466 1.00 0.00 O ATOM 0 H SER A 56 -9.538 -9.102 -5.526 1.00 0.00 H new ATOM 0 HA SER A 56 -9.053 -9.097 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.076 -9.970 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.563 -11.460 -3.752 1.00 0.00 H new ATOM 0 HG SER A 56 -12.199 -10.359 -2.524 1.00 0.00 H new ATOM 902 N SER A 57 -7.864 -11.804 -4.290 1.00 0.00 N ATOM 903 CA SER A 57 -6.963 -12.931 -4.114 1.00 0.00 C ATOM 904 C SER A 57 -5.815 -12.540 -3.180 1.00 0.00 C ATOM 905 O SER A 57 -5.308 -13.373 -2.431 1.00 0.00 O ATOM 906 CB SER A 57 -6.414 -13.413 -5.457 1.00 0.00 C ATOM 907 OG SER A 57 -7.270 -14.373 -6.071 1.00 0.00 O ATOM 0 H SER A 57 -8.230 -11.694 -5.236 1.00 0.00 H new ATOM 0 HA SER A 57 -7.524 -13.752 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.288 -12.560 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.427 -13.850 -5.309 1.00 0.00 H new ATOM 0 HG SER A 57 -6.885 -14.654 -6.927 1.00 0.00 H new ATOM 913 N ALA A 58 -5.437 -11.272 -3.258 1.00 0.00 N ATOM 914 CA ALA A 58 -4.359 -10.761 -2.429 1.00 0.00 C ATOM 915 C ALA A 58 -4.812 -9.468 -1.749 1.00 0.00 C ATOM 916 O ALA A 58 -5.821 -8.880 -2.135 1.00 0.00 O ATOM 917 CB ALA A 58 -3.108 -10.561 -3.287 1.00 0.00 C ATOM 0 H ALA A 58 -5.858 -10.584 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.107 -11.474 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.298 -10.178 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.810 -11.514 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.323 -9.849 -4.083 1.00 0.00 H new ATOM 923 N ASN A 59 -4.045 -9.062 -0.748 1.00 0.00 N ATOM 924 CA ASN A 59 -4.355 -7.850 -0.011 1.00 0.00 C ATOM 925 C ASN A 59 -3.680 -6.656 -0.692 1.00 0.00 C ATOM 926 O ASN A 59 -2.504 -6.723 -1.042 1.00 0.00 O ATOM 927 CB ASN A 59 -3.836 -7.930 1.426 1.00 0.00 C ATOM 928 CG ASN A 59 -4.491 -9.089 2.181 1.00 0.00 C ATOM 929 OD1 ASN A 59 -4.951 -10.058 1.604 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.506 -8.932 3.502 1.00 0.00 N ATOM 0 H ASN A 59 -3.209 -9.552 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.439 -7.733 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.754 -8.061 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.040 -6.992 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.921 -9.650 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.102 -8.094 3.921 1.00 0.00 H new ATOM 937 N LEU A 60 -4.453 -5.595 -0.856 1.00 0.00 N ATOM 938 CA LEU A 60 -3.945 -4.389 -1.489 1.00 0.00 C ATOM 939 C LEU A 60 -4.164 -3.197 -0.555 1.00 0.00 C ATOM 940 O LEU A 60 -5.284 -2.948 -0.112 1.00 0.00 O ATOM 941 CB LEU A 60 -4.568 -4.208 -2.875 1.00 0.00 C ATOM 942 CG LEU A 60 -4.010 -3.057 -3.715 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.694 -2.995 -5.083 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.113 -1.728 -2.962 1.00 0.00 C ATOM 0 H LEU A 60 -5.428 -5.544 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.871 -4.470 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.439 -5.135 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.640 -4.056 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.951 -3.245 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.279 -2.169 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.526 -3.930 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.765 -2.842 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.710 -0.927 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.158 -1.519 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.545 -1.791 -2.034 1.00 0.00 H new ATOM 956 N ILE A 61 -3.076 -2.491 -0.283 1.00 0.00 N ATOM 957 CA ILE A 61 -3.135 -1.331 0.590 1.00 0.00 C ATOM 958 C ILE A 61 -2.000 -0.370 0.232 1.00 0.00 C ATOM 959 O ILE A 61 -1.022 -0.768 -0.399 1.00 0.00 O ATOM 960 CB ILE A 61 -3.135 -1.764 2.058 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.768 -2.319 2.465 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.263 -2.761 2.336 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.712 -2.590 3.970 1.00 0.00 C ATOM 0 H ILE A 61 -2.148 -2.700 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.070 -0.790 0.442 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.323 -0.884 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.568 -3.241 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.987 -1.610 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.240 -3.052 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.223 -2.297 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.130 -3.644 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.730 -2.984 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.888 -1.662 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.478 -3.318 4.237 1.00 0.00 H new ATOM 975 N THR A 62 -2.168 0.876 0.649 1.00 0.00 N ATOM 976 CA THR A 62 -1.170 1.897 0.382 1.00 0.00 C ATOM 977 C THR A 62 -0.457 2.299 1.675 1.00 0.00 C ATOM 978 O THR A 62 -0.995 2.119 2.766 1.00 0.00 O ATOM 979 CB THR A 62 -1.865 3.066 -0.318 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.599 3.706 0.722 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.941 2.602 -1.303 1.00 0.00 C ATOM 0 H THR A 62 -2.982 1.202 1.171 1.00 0.00 H new ATOM 0 HA THR A 62 -0.388 1.522 -0.279 1.00 0.00 H new ATOM 0 HB THR A 62 -1.124 3.666 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.548 3.477 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.403 3.470 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.486 1.974 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.701 2.031 -0.769 1.00 0.00 H new ATOM 989 N VAL A 63 0.742 2.836 1.509 1.00 0.00 N ATOM 990 CA VAL A 63 1.534 3.266 2.649 1.00 0.00 C ATOM 991 C VAL A 63 1.994 4.708 2.431 1.00 0.00 C ATOM 992 O VAL A 63 2.289 5.105 1.304 1.00 0.00 O ATOM 993 CB VAL A 63 2.696 2.294 2.874 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.855 2.986 3.595 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.232 1.056 3.644 1.00 0.00 C ATOM 0 H VAL A 63 1.185 2.983 0.602 1.00 0.00 H new ATOM 0 HA VAL A 63 0.934 3.252 3.559 1.00 0.00 H new ATOM 0 HB VAL A 63 3.055 1.967 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.668 2.275 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.210 3.823 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.514 3.354 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.076 0.382 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.836 1.358 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.454 0.545 3.077 1.00 0.00 H new ATOM 1005 N ALA A 64 2.041 5.453 3.526 1.00 0.00 N ATOM 1006 CA ALA A 64 2.462 6.842 3.467 1.00 0.00 C ATOM 1007 C ALA A 64 3.459 7.116 4.595 1.00 0.00 C ATOM 1008 O ALA A 64 3.302 6.609 5.704 1.00 0.00 O ATOM 1009 CB ALA A 64 1.232 7.750 3.543 1.00 0.00 C ATOM 0 H ALA A 64 1.795 5.121 4.458 1.00 0.00 H new ATOM 0 HA ALA A 64 2.966 7.052 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.546 8.793 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.569 7.535 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.704 7.570 4.479 1.00 0.00 H new ATOM 1015 N SER A 65 4.463 7.919 4.271 1.00 0.00 N ATOM 1016 CA SER A 65 5.486 8.266 5.243 1.00 0.00 C ATOM 1017 C SER A 65 5.477 9.775 5.493 1.00 0.00 C ATOM 1018 O SER A 65 5.883 10.554 4.631 1.00 0.00 O ATOM 1019 CB SER A 65 6.869 7.814 4.771 1.00 0.00 C ATOM 1020 OG SER A 65 7.224 8.396 3.520 1.00 0.00 O ATOM 0 H SER A 65 4.589 8.339 3.350 1.00 0.00 H new ATOM 0 HA SER A 65 5.263 7.748 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.613 8.084 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.884 6.728 4.683 1.00 0.00 H new ATOM 0 HG SER A 65 8.134 8.124 3.279 1.00 0.00 H new ATOM 1026 N PRO A 66 5.000 10.154 6.710 1.00 0.00 N ATOM 1027 CA PRO A 66 4.934 11.555 7.084 1.00 0.00 C ATOM 1028 C PRO A 66 6.324 12.099 7.421 1.00 0.00 C ATOM 1029 O PRO A 66 7.111 11.430 8.091 1.00 0.00 O ATOM 1030 CB PRO A 66 3.975 11.603 8.263 1.00 0.00 C ATOM 1031 CG PRO A 66 3.901 10.182 8.797 1.00 0.00 C ATOM 1032 CD PRO A 66 4.512 9.259 7.755 1.00 0.00 C ATOM 0 HA PRO A 66 4.579 12.190 6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.333 12.290 9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.991 11.955 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.439 10.101 9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.866 9.902 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.322 8.665 8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.774 8.559 7.364 1.00 0.00 H new ATOM 1040 N GLY A 67 6.584 13.308 6.944 1.00 0.00 N ATOM 1041 CA GLY A 67 7.866 13.947 7.187 1.00 0.00 C ATOM 1042 C GLY A 67 8.991 13.223 6.445 1.00 0.00 C ATOM 1043 O GLY A 67 10.168 13.490 6.683 1.00 0.00 O ATOM 0 H GLY A 67 5.929 13.861 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.824 14.987 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.076 13.953 8.257 1.00 0.00 H new ATOM 1047 N PHE A 68 8.588 12.322 5.563 1.00 0.00 N ATOM 1048 CA PHE A 68 9.548 11.557 4.783 1.00 0.00 C ATOM 1049 C PHE A 68 9.316 11.750 3.284 1.00 0.00 C ATOM 1050 O PHE A 68 8.213 11.522 2.788 1.00 0.00 O ATOM 1051 CB PHE A 68 9.336 10.083 5.134 1.00 0.00 C ATOM 1052 CG PHE A 68 10.383 9.144 4.533 1.00 0.00 C ATOM 1053 CD1 PHE A 68 10.218 8.659 3.272 1.00 0.00 C ATOM 1054 CD2 PHE A 68 11.479 8.792 5.259 1.00 0.00 C ATOM 1055 CE1 PHE A 68 11.189 7.787 2.715 1.00 0.00 C ATOM 1056 CE2 PHE A 68 12.449 7.920 4.700 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.285 7.436 3.440 1.00 0.00 C ATOM 0 H PHE A 68 7.611 12.103 5.370 1.00 0.00 H new ATOM 0 HA PHE A 68 10.561 11.889 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.344 9.973 6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.348 9.777 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.348 8.938 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.610 9.176 6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.058 7.402 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.319 7.640 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.024 6.773 3.015 1.00 0.00 H new ATOM 1067 N LEU A 69 10.372 12.168 2.602 1.00 0.00 N ATOM 1068 CA LEU A 69 10.298 12.395 1.169 1.00 0.00 C ATOM 1069 C LEU A 69 9.564 13.710 0.903 1.00 0.00 C ATOM 1070 O LEU A 69 8.854 13.840 -0.093 1.00 0.00 O ATOM 1071 CB LEU A 69 9.669 11.188 0.468 1.00 0.00 C ATOM 1072 CG LEU A 69 10.564 10.452 -0.532 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.007 11.386 -1.661 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.753 9.801 0.175 1.00 0.00 C ATOM 0 H LEU A 69 11.285 12.356 3.016 1.00 0.00 H new ATOM 0 HA LEU A 69 11.298 12.496 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.348 10.477 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.773 11.523 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 69 9.983 9.650 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.642 10.839 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.130 11.762 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.565 12.223 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.373 9.284 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.344 10.569 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.390 9.085 0.913 1.00 0.00 H new ATOM 1086 N HIS A 70 9.761 14.655 1.811 1.00 0.00 N ATOM 1087 CA HIS A 70 9.128 15.957 1.686 1.00 0.00 C ATOM 1088 C HIS A 70 7.611 15.805 1.818 1.00 0.00 C ATOM 1089 O HIS A 70 6.862 16.731 1.514 1.00 0.00 O ATOM 1090 CB HIS A 70 9.545 16.641 0.383 1.00 0.00 C ATOM 1091 CG HIS A 70 10.884 17.337 0.456 1.00 0.00 C ATOM 1092 ND1 HIS A 70 11.560 17.779 -0.668 1.00 0.00 N ATOM 1093 CD2 HIS A 70 11.660 17.664 1.527 1.00 0.00 C ATOM 1094 CE1 HIS A 70 12.694 18.343 -0.278 1.00 0.00 C ATOM 1095 NE2 HIS A 70 12.755 18.271 1.082 1.00 0.00 N ATOM 0 H HIS A 70 10.350 14.545 2.636 1.00 0.00 H new ATOM 0 HA HIS A 70 9.464 16.608 2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.577 15.896 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.783 17.370 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.425 17.464 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.439 18.783 -0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.516 18.625 1.662 1.00 0.00 H new ATOM 1104 N GLU A 71 7.204 14.629 2.271 1.00 0.00 N ATOM 1105 CA GLU A 71 5.791 14.342 2.446 1.00 0.00 C ATOM 1106 C GLU A 71 5.260 15.037 3.701 1.00 0.00 C ATOM 1107 O GLU A 71 6.005 15.260 4.653 1.00 0.00 O ATOM 1108 CB GLU A 71 5.540 12.834 2.507 1.00 0.00 C ATOM 1109 CG GLU A 71 4.106 12.534 2.950 1.00 0.00 C ATOM 1110 CD GLU A 71 3.100 12.958 1.877 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.448 13.728 0.970 1.00 0.00 O ATOM 1112 OE2 GLU A 71 1.919 12.456 2.010 1.00 0.00 O ATOM 0 H GLU A 71 7.829 13.863 2.522 1.00 0.00 H new ATOM 0 HA GLU A 71 5.252 14.732 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.722 12.392 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.243 12.373 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.000 11.468 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.892 13.058 3.881 1.00 0.00 H new ATOM 1120 N LYS A 72 3.976 15.359 3.662 1.00 0.00 N ATOM 1121 CA LYS A 72 3.336 16.023 4.786 1.00 0.00 C ATOM 1122 C LYS A 72 3.787 15.360 6.089 1.00 0.00 C ATOM 1123 O LYS A 72 4.346 14.265 6.071 1.00 0.00 O ATOM 1124 CB LYS A 72 1.817 16.048 4.601 1.00 0.00 C ATOM 1125 CG LYS A 72 1.420 16.982 3.456 1.00 0.00 C ATOM 1126 CD LYS A 72 1.210 18.411 3.962 1.00 0.00 C ATOM 1127 CE LYS A 72 1.349 19.422 2.822 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.621 20.168 2.942 1.00 0.00 N ATOM 0 H LYS A 72 3.361 15.173 2.870 1.00 0.00 H new ATOM 0 HA LYS A 72 3.644 17.067 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.455 15.041 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.340 16.376 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.195 16.974 2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.505 16.620 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.222 18.499 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.937 18.635 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.313 18.905 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.510 20.117 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.699 20.850 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.641 20.677 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.419 19.502 2.902 1.00 0.00 H new ATOM 1141 N LYS A 73 3.525 16.051 7.189 1.00 0.00 N ATOM 1142 CA LYS A 73 3.896 15.542 8.499 1.00 0.00 C ATOM 1143 C LYS A 73 2.689 14.847 9.131 1.00 0.00 C ATOM 1144 O LYS A 73 1.545 15.146 8.790 1.00 0.00 O ATOM 1145 CB LYS A 73 4.482 16.661 9.361 1.00 0.00 C ATOM 1146 CG LYS A 73 5.637 16.143 10.220 1.00 0.00 C ATOM 1147 CD LYS A 73 6.953 16.825 9.841 1.00 0.00 C ATOM 1148 CE LYS A 73 7.770 17.173 11.088 1.00 0.00 C ATOM 1149 NZ LYS A 73 8.016 18.631 11.154 1.00 0.00 N ATOM 0 H LYS A 73 3.060 16.959 7.200 1.00 0.00 H new ATOM 0 HA LYS A 73 4.684 14.794 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.834 17.471 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.705 17.076 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.420 16.323 11.273 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.733 15.065 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.534 16.168 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.746 17.732 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.238 16.847 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.720 16.638 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.571 18.851 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.543 18.933 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.107 19.135 11.194 1.00 0.00 H new ATOM 1162 N ASP A 74 2.985 13.929 10.040 1.00 0.00 N ATOM 1163 CA ASP A 74 1.939 13.188 10.723 1.00 0.00 C ATOM 1164 C ASP A 74 0.861 14.161 11.204 1.00 0.00 C ATOM 1165 O ASP A 74 1.165 15.286 11.595 1.00 0.00 O ATOM 1166 CB ASP A 74 2.494 12.454 11.946 1.00 0.00 C ATOM 1167 CG ASP A 74 1.461 12.132 13.029 1.00 0.00 C ATOM 1168 OD1 ASP A 74 1.154 12.972 13.889 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.958 10.946 12.968 1.00 0.00 O ATOM 0 H ASP A 74 3.934 13.682 10.319 1.00 0.00 H new ATOM 0 HA ASP A 74 1.527 12.462 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.954 11.523 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.285 13.061 12.388 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.377 13.692 11.160 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.503 14.506 11.585 1.00 0.00 C ATOM 1177 C GLY A 75 -2.032 15.358 10.430 1.00 0.00 C ATOM 1178 O GLY A 75 -3.233 15.368 10.162 1.00 0.00 O ATOM 0 H GLY A 75 -0.625 12.757 10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.299 13.863 11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.199 15.152 12.408 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.111 16.050 9.777 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.470 16.902 8.656 1.00 0.00 C ATOM 1184 C ASP A 76 -1.834 16.030 7.454 1.00 0.00 C ATOM 1185 O ASP A 76 -2.681 16.406 6.643 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.299 17.801 8.251 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.230 19.143 8.982 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.679 20.176 8.465 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.321 19.100 10.148 1.00 0.00 O ATOM 0 H ASP A 76 -0.116 16.038 10.002 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.313 17.522 8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.631 17.261 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.360 17.991 7.179 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.179 14.882 7.376 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.423 13.952 6.286 1.00 0.00 C ATOM 1197 C PHE A 77 -2.738 13.197 6.494 1.00 0.00 C ATOM 1198 O PHE A 77 -3.625 13.241 5.643 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.268 12.950 6.285 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.451 11.790 5.304 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.128 10.674 5.689 1.00 0.00 C ATOM 1202 CD2 PHE A 77 0.063 11.874 4.047 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.298 9.599 4.779 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.108 10.797 3.137 1.00 0.00 C ATOM 1205 CZ PHE A 77 -0.784 9.682 3.522 1.00 0.00 C ATOM 0 H PHE A 77 -0.479 14.574 8.050 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.491 14.494 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.655 13.476 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.150 12.547 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.536 10.607 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.601 12.759 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.836 8.714 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.299 10.864 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.913 8.863 2.830 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.821 12.522 7.631 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.012 11.758 7.962 1.00 0.00 C ATOM 1217 C GLN A 78 -5.261 12.627 7.802 1.00 0.00 C ATOM 1218 O GLN A 78 -6.343 12.118 7.512 1.00 0.00 O ATOM 1219 CB GLN A 78 -3.921 11.184 9.378 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.730 12.298 10.409 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.370 11.721 11.779 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.212 11.583 12.138 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.423 11.392 12.522 1.00 0.00 N ATOM 0 H GLN A 78 -2.083 12.488 8.334 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.085 10.919 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.828 10.624 9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.089 10.482 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.942 12.975 10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.644 12.887 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.366 11.534 12.161 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.287 10.998 13.453 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.070 13.923 7.999 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.169 14.868 7.880 1.00 0.00 C ATOM 1234 C LYS A 79 -6.505 15.069 6.401 1.00 0.00 C ATOM 1235 O LYS A 79 -7.675 15.163 6.034 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.840 16.167 8.618 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.630 16.270 9.924 1.00 0.00 C ATOM 1238 CD LYS A 79 -5.733 16.743 11.071 1.00 0.00 C ATOM 1239 CE LYS A 79 -6.544 17.505 12.122 1.00 0.00 C ATOM 1240 NZ LYS A 79 -5.682 18.466 12.845 1.00 0.00 N ATOM 0 H LYS A 79 -4.172 14.341 8.240 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.065 14.474 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.772 16.208 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.071 17.020 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.461 16.964 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.060 15.299 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.246 15.885 11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.944 17.385 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.366 18.035 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.987 16.802 12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.248 18.974 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.912 17.953 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.279 19.147 12.170 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.458 15.128 5.592 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.627 15.316 4.161 1.00 0.00 C ATOM 1255 C TRP A 80 -6.593 14.241 3.654 1.00 0.00 C ATOM 1256 O TRP A 80 -7.580 14.552 2.991 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.278 15.295 3.441 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.364 15.623 1.949 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.300 15.236 1.072 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.433 16.424 1.190 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.043 15.728 -0.192 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.871 16.474 -0.118 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.260 17.085 1.596 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.198 17.173 -1.126 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.598 17.780 0.575 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -2.027 17.840 -0.746 1.00 0.00 C ATOM 0 H TRP A 80 -4.489 15.049 5.900 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.054 16.296 3.949 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.610 16.010 3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.829 14.309 3.561 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.149 14.617 1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.608 15.573 -1.027 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.898 17.059 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.562 17.197 -2.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.691 18.306 0.832 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.460 18.399 -1.476 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.161 4.294 1.470 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.125 2.844 1.405 1.00 0.00 C ATOM 1385 C LYS A 88 -11.782 2.396 0.823 1.00 0.00 C ATOM 1386 O LYS A 88 -11.616 1.232 0.460 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.337 2.311 0.637 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.210 1.430 1.533 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.415 2.210 2.062 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.525 2.281 1.012 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.479 3.366 1.338 1.00 0.00 N ATOM 0 HA LYS A 88 -13.198 2.417 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.926 3.145 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.001 1.737 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.553 0.561 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.619 1.056 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.794 1.732 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.107 3.218 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.091 2.454 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.051 1.328 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.226 3.400 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.906 3.185 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.976 4.276 1.359 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.860 3.344 0.750 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.538 3.062 0.217 1.00 0.00 C ATOM 1406 C LEU A 89 -8.563 2.840 1.375 1.00 0.00 C ATOM 1407 O LEU A 89 -8.569 3.591 2.350 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.103 4.166 -0.749 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.645 4.614 -0.643 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.713 3.623 -1.342 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.468 6.039 -1.174 1.00 0.00 C ATOM 0 H LEU A 89 -11.002 4.308 1.051 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.552 2.144 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.283 3.822 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.742 5.034 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.369 4.626 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.683 3.966 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.811 2.642 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.981 3.554 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.422 6.332 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.770 6.077 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.086 6.723 -0.593 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.725 1.780 1.227 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.747 1.449 2.249 1.00 0.00 C ATOM 1425 C PRO A 90 -5.570 2.426 2.216 1.00 0.00 C ATOM 1426 O PRO A 90 -4.957 2.630 1.171 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.337 0.015 1.952 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.748 -0.246 0.513 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.689 0.868 0.086 1.00 0.00 C ATOM 0 HA PRO A 90 -7.148 1.533 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.263 -0.119 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.830 -0.681 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.872 -0.274 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.240 -1.215 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.327 1.370 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.682 0.482 -0.144 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.290 3.003 3.376 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.197 3.954 3.494 1.00 0.00 C ATOM 1439 C VAL A 91 -3.488 3.746 4.834 1.00 0.00 C ATOM 1440 O VAL A 91 -4.095 3.902 5.891 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.721 5.380 3.309 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.732 6.405 3.868 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.032 5.663 1.838 1.00 0.00 C ATOM 0 H VAL A 91 -5.801 2.830 4.242 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.460 3.789 2.708 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.650 5.471 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.129 7.410 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.582 6.223 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.779 6.313 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.403 6.683 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.125 5.544 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.790 4.964 1.485 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.213 3.398 4.744 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.415 3.167 5.935 1.00 0.00 C ATOM 1455 C VAL A 92 -0.362 4.269 6.060 1.00 0.00 C ATOM 1456 O VAL A 92 0.256 4.657 5.070 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.809 1.762 5.896 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.040 1.461 7.184 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.887 0.707 5.643 1.00 0.00 C ATOM 0 H VAL A 92 -1.713 3.270 3.864 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.040 3.212 6.827 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.102 1.725 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.380 0.457 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.765 2.186 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.717 1.526 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.430 -0.282 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.628 0.746 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.372 0.905 4.687 1.00 0.00 H new ATOM 1469 N THR A 93 -0.189 4.742 7.286 1.00 0.00 N ATOM 1470 CA THR A 93 0.780 5.792 7.552 1.00 0.00 C ATOM 1471 C THR A 93 1.866 5.287 8.505 1.00 0.00 C ATOM 1472 O THR A 93 1.574 4.900 9.636 1.00 0.00 O ATOM 1473 CB THR A 93 0.023 7.009 8.086 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.931 6.457 8.990 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.831 7.685 7.011 1.00 0.00 C ATOM 0 H THR A 93 -0.703 4.418 8.105 1.00 0.00 H new ATOM 0 HA THR A 93 1.302 6.088 6.642 1.00 0.00 H new ATOM 0 HB THR A 93 0.734 7.729 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.486 5.818 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.347 8.543 7.442 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.191 8.020 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.564 6.975 6.629 1.00 0.00 H new ATOM 1483 N ASP A 94 3.096 5.306 8.013 1.00 0.00 N ATOM 1484 CA ASP A 94 4.227 4.855 8.807 1.00 0.00 C ATOM 1485 C ASP A 94 5.157 6.039 9.080 1.00 0.00 C ATOM 1486 O ASP A 94 5.805 6.547 8.166 1.00 0.00 O ATOM 1487 CB ASP A 94 5.029 3.784 8.063 1.00 0.00 C ATOM 1488 CG ASP A 94 6.146 3.131 8.879 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.534 3.630 9.946 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.631 2.049 8.370 1.00 0.00 O ATOM 0 H ASP A 94 3.335 5.627 7.075 1.00 0.00 H new ATOM 0 HA ASP A 94 3.842 4.436 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.343 3.007 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.466 4.233 7.171 1.00 0.00 H new ATOM 1496 N ASN A 95 5.192 6.442 10.341 1.00 0.00 N ATOM 1497 CA ASN A 95 6.033 7.558 10.747 1.00 0.00 C ATOM 1498 C ASN A 95 7.496 7.219 10.455 1.00 0.00 C ATOM 1499 O ASN A 95 8.050 6.289 11.038 1.00 0.00 O ATOM 1500 CB ASN A 95 5.900 7.831 12.246 1.00 0.00 C ATOM 1501 CG ASN A 95 4.649 8.658 12.544 1.00 0.00 C ATOM 1502 OD1 ASN A 95 3.526 8.193 12.440 1.00 0.00 O ATOM 1503 ND2 ASN A 95 4.904 9.909 12.918 1.00 0.00 N ATOM 0 H ASN A 95 4.653 6.017 11.095 1.00 0.00 H new ATOM 0 HA ASN A 95 5.716 8.440 10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.854 6.887 12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.784 8.360 12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.135 10.542 13.138 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.868 10.235 12.985 1.00 0.00 H new ATOM 1510 N GLY A 96 8.082 7.993 9.553 1.00 0.00 N ATOM 1511 CA GLY A 96 9.471 7.787 9.177 1.00 0.00 C ATOM 1512 C GLY A 96 9.586 6.759 8.049 1.00 0.00 C ATOM 1513 O GLY A 96 10.609 6.692 7.369 1.00 0.00 O ATOM 0 H GLY A 96 7.620 8.764 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.910 8.733 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.040 7.448 10.043 1.00 0.00 H new ATOM 1517 N GLY A 97 8.525 5.985 7.887 1.00 0.00 N ATOM 1518 CA GLY A 97 8.494 4.963 6.854 1.00 0.00 C ATOM 1519 C GLY A 97 9.547 3.885 7.119 1.00 0.00 C ATOM 1520 O GLY A 97 10.550 3.805 6.411 1.00 0.00 O ATOM 0 H GLY A 97 7.679 6.044 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.504 4.508 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.672 5.419 5.880 1.00 0.00 H new ATOM 1524 N THR A 98 9.282 3.081 8.138 1.00 0.00 N ATOM 1525 CA THR A 98 10.194 2.011 8.505 1.00 0.00 C ATOM 1526 C THR A 98 10.328 1.009 7.357 1.00 0.00 C ATOM 1527 O THR A 98 11.439 0.685 6.938 1.00 0.00 O ATOM 1528 CB THR A 98 9.686 1.382 9.804 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.195 2.235 10.825 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.335 0.026 10.090 1.00 0.00 C ATOM 0 H THR A 98 8.448 3.149 8.721 1.00 0.00 H new ATOM 0 HA THR A 98 11.200 2.391 8.683 1.00 0.00 H new ATOM 0 HB THR A 98 8.604 1.262 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.911 1.901 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.940 -0.377 11.023 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.114 -0.663 9.275 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.414 0.150 10.177 1.00 0.00 H new ATOM 1538 N ILE A 99 9.183 0.547 6.879 1.00 0.00 N ATOM 1539 CA ILE A 99 9.159 -0.412 5.787 1.00 0.00 C ATOM 1540 C ILE A 99 9.737 0.239 4.529 1.00 0.00 C ATOM 1541 O ILE A 99 10.374 -0.428 3.716 1.00 0.00 O ATOM 1542 CB ILE A 99 7.748 -0.972 5.596 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.283 -1.722 6.846 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.670 -1.844 4.342 1.00 0.00 C ATOM 1545 CD1 ILE A 99 6.075 -1.030 7.483 1.00 0.00 C ATOM 0 H ILE A 99 8.264 0.819 7.228 1.00 0.00 H new ATOM 0 HA ILE A 99 9.789 -1.270 6.021 1.00 0.00 H new ATOM 0 HB ILE A 99 7.065 -0.136 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.023 -2.747 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.099 -1.775 7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.657 -2.230 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.931 -1.248 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.367 -2.677 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.764 -1.583 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.346 -0.013 7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.253 -1.001 6.767 1.00 0.00 H new ATOM 1557 N ALA A 100 9.495 1.537 4.408 1.00 0.00 N ATOM 1558 CA ALA A 100 9.983 2.286 3.264 1.00 0.00 C ATOM 1559 C ALA A 100 11.491 2.505 3.408 1.00 0.00 C ATOM 1560 O ALA A 100 12.217 2.522 2.417 1.00 0.00 O ATOM 1561 CB ALA A 100 9.211 3.601 3.148 1.00 0.00 C ATOM 0 H ALA A 100 8.967 2.088 5.085 1.00 0.00 H new ATOM 0 HA ALA A 100 9.818 1.729 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.577 4.163 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.150 3.390 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.355 4.189 4.055 1.00 0.00 H new ATOM 1567 N GLN A 101 11.916 2.668 4.653 1.00 0.00 N ATOM 1568 CA GLN A 101 13.323 2.884 4.940 1.00 0.00 C ATOM 1569 C GLN A 101 14.080 1.554 4.922 1.00 0.00 C ATOM 1570 O GLN A 101 15.201 1.480 4.423 1.00 0.00 O ATOM 1571 CB GLN A 101 13.506 3.601 6.279 1.00 0.00 C ATOM 1572 CG GLN A 101 13.641 5.112 6.079 1.00 0.00 C ATOM 1573 CD GLN A 101 15.080 5.571 6.319 1.00 0.00 C ATOM 1574 OE1 GLN A 101 15.886 5.675 5.410 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.356 5.837 7.594 1.00 0.00 N ATOM 0 H GLN A 101 11.310 2.655 5.474 1.00 0.00 H new ATOM 0 HA GLN A 101 13.737 3.525 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.655 3.391 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.393 3.217 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.335 5.377 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.970 5.634 6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.633 5.729 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.290 6.149 7.859 1.00 0.00 H new ATOM 1584 N SER A 102 13.436 0.537 5.475 1.00 0.00 N ATOM 1585 CA SER A 102 14.033 -0.786 5.530 1.00 0.00 C ATOM 1586 C SER A 102 14.310 -1.295 4.113 1.00 0.00 C ATOM 1587 O SER A 102 15.260 -2.043 3.893 1.00 0.00 O ATOM 1588 CB SER A 102 13.131 -1.768 6.279 1.00 0.00 C ATOM 1589 OG SER A 102 13.881 -2.758 6.976 1.00 0.00 O ATOM 0 H SER A 102 12.506 0.603 5.889 1.00 0.00 H new ATOM 0 HA SER A 102 14.975 -0.713 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.508 -1.221 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.459 -2.254 5.572 1.00 0.00 H new ATOM 0 HG SER A 102 13.268 -3.364 7.443 1.00 0.00 H new ATOM 1595 N LEU A 103 13.461 -0.867 3.190 1.00 0.00 N ATOM 1596 CA LEU A 103 13.601 -1.269 1.801 1.00 0.00 C ATOM 1597 C LEU A 103 14.310 -0.159 1.022 1.00 0.00 C ATOM 1598 O LEU A 103 14.723 -0.363 -0.119 1.00 0.00 O ATOM 1599 CB LEU A 103 12.243 -1.660 1.215 1.00 0.00 C ATOM 1600 CG LEU A 103 11.766 -3.082 1.519 1.00 0.00 C ATOM 1601 CD1 LEU A 103 10.272 -3.234 1.223 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.608 -4.116 0.769 1.00 0.00 C ATOM 0 H LEU A 103 12.674 -0.246 3.377 1.00 0.00 H new ATOM 0 HA LEU A 103 14.223 -2.161 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.494 -0.960 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.287 -1.536 0.133 1.00 0.00 H new ATOM 0 HG LEU A 103 11.904 -3.268 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.959 -4.254 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.706 -2.536 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.086 -3.021 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 103 12.248 -5.118 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.526 -3.943 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.651 -4.025 1.073 1.00 0.00 H new ATOM 1614 N ASN A 104 14.430 0.990 1.669 1.00 0.00 N ATOM 1615 CA ASN A 104 15.081 2.132 1.051 1.00 0.00 C ATOM 1616 C ASN A 104 14.285 2.561 -0.183 1.00 0.00 C ATOM 1617 O ASN A 104 14.821 2.595 -1.290 1.00 0.00 O ATOM 1618 CB ASN A 104 16.500 1.780 0.600 1.00 0.00 C ATOM 1619 CG ASN A 104 17.208 3.003 0.012 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.264 4.066 0.607 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.743 2.793 -1.187 1.00 0.00 N ATOM 0 H ASN A 104 14.087 1.155 2.615 1.00 0.00 H new ATOM 0 HA ASN A 104 15.126 2.934 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.070 1.397 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.462 0.985 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.237 3.547 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.660 1.878 -1.629 1.00 0.00 H new ATOM 1628 N ILE A 105 13.020 2.880 0.048 1.00 0.00 N ATOM 1629 CA ILE A 105 12.147 3.306 -1.031 1.00 0.00 C ATOM 1630 C ILE A 105 12.034 4.832 -1.020 1.00 0.00 C ATOM 1631 O ILE A 105 11.351 5.402 -0.173 1.00 0.00 O ATOM 1632 CB ILE A 105 10.797 2.590 -0.941 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.972 1.146 -0.471 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.043 2.672 -2.270 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.617 0.483 -0.218 1.00 0.00 C ATOM 0 H ILE A 105 12.579 2.852 0.967 1.00 0.00 H new ATOM 0 HA ILE A 105 12.570 3.025 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 105 10.190 3.100 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.523 0.580 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.566 1.127 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.087 2.156 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.868 3.717 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.636 2.202 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.771 -0.543 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.079 1.037 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 105 9.035 0.482 -1.139 1.00 0.00 H new ATOM 1647 N SER A 106 12.719 5.450 -1.972 1.00 0.00 N ATOM 1648 CA SER A 106 12.707 6.899 -2.082 1.00 0.00 C ATOM 1649 C SER A 106 12.188 7.314 -3.460 1.00 0.00 C ATOM 1650 O SER A 106 12.490 8.406 -3.939 1.00 0.00 O ATOM 1651 CB SER A 106 14.100 7.483 -1.841 1.00 0.00 C ATOM 1652 OG SER A 106 14.874 6.671 -0.962 1.00 0.00 O ATOM 0 H SER A 106 13.286 4.974 -2.674 1.00 0.00 H new ATOM 0 HA SER A 106 12.041 7.294 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.620 7.585 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.006 8.484 -1.421 1.00 0.00 H new ATOM 0 HG SER A 106 15.757 7.076 -0.835 1.00 0.00 H new ATOM 1658 N VAL A 107 11.413 6.422 -4.059 1.00 0.00 N ATOM 1659 CA VAL A 107 10.849 6.682 -5.373 1.00 0.00 C ATOM 1660 C VAL A 107 9.375 6.272 -5.380 1.00 0.00 C ATOM 1661 O VAL A 107 9.027 5.182 -4.924 1.00 0.00 O ATOM 1662 CB VAL A 107 11.673 5.968 -6.446 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.987 4.529 -6.031 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.959 6.006 -7.799 1.00 0.00 C ATOM 0 H VAL A 107 11.162 5.518 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 107 10.892 7.746 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 107 12.619 6.499 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.574 4.045 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.555 4.534 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.056 3.981 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.565 5.492 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.992 5.511 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.811 7.042 -8.103 1.00 0.00 H new ATOM 1674 N TYR A 108 8.548 7.166 -5.901 1.00 0.00 N ATOM 1675 CA TYR A 108 7.119 6.911 -5.974 1.00 0.00 C ATOM 1676 C TYR A 108 6.581 7.195 -7.378 1.00 0.00 C ATOM 1677 O TYR A 108 7.135 8.022 -8.102 1.00 0.00 O ATOM 1678 CB TYR A 108 6.466 7.878 -4.985 1.00 0.00 C ATOM 1679 CG TYR A 108 6.831 7.614 -3.523 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.038 6.321 -3.086 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.954 8.669 -2.641 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.380 6.073 -1.710 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.297 8.419 -1.265 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.493 7.133 -0.867 1.00 0.00 C ATOM 1685 OH TYR A 108 7.818 6.899 0.432 1.00 0.00 O ATOM 0 H TYR A 108 8.840 8.068 -6.277 1.00 0.00 H new ATOM 0 HA TYR A 108 6.904 5.868 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.756 8.896 -5.243 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.383 7.818 -5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.943 5.496 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.793 9.681 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.543 5.066 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.396 9.235 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 108 7.864 7.750 0.916 1.00 0.00 H new ATOM 1695 N PRO A 109 5.482 6.477 -7.730 1.00 0.00 N ATOM 1696 CA PRO A 109 4.889 5.518 -6.812 1.00 0.00 C ATOM 1697 C PRO A 109 5.736 4.247 -6.726 1.00 0.00 C ATOM 1698 O PRO A 109 6.554 3.981 -7.604 1.00 0.00 O ATOM 1699 CB PRO A 109 3.493 5.267 -7.354 1.00 0.00 C ATOM 1700 CG PRO A 109 3.517 5.730 -8.803 1.00 0.00 C ATOM 1701 CD PRO A 109 4.776 6.557 -9.006 1.00 0.00 C ATOM 0 HA PRO A 109 4.843 5.888 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.232 4.211 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.747 5.817 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.509 4.874 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.630 6.322 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.383 6.161 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.535 7.589 -9.261 1.00 0.00 H new ATOM 1709 N SER A 110 5.510 3.495 -5.660 1.00 0.00 N ATOM 1710 CA SER A 110 6.241 2.258 -5.446 1.00 0.00 C ATOM 1711 C SER A 110 5.275 1.141 -5.042 1.00 0.00 C ATOM 1712 O SER A 110 4.179 1.411 -4.554 1.00 0.00 O ATOM 1713 CB SER A 110 7.324 2.433 -4.381 1.00 0.00 C ATOM 1714 OG SER A 110 8.590 2.751 -4.954 1.00 0.00 O ATOM 0 H SER A 110 4.830 3.719 -4.934 1.00 0.00 H new ATOM 0 HA SER A 110 6.731 1.986 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.029 3.224 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.410 1.516 -3.797 1.00 0.00 H new ATOM 0 HG SER A 110 8.938 3.570 -4.543 1.00 0.00 H new ATOM 1720 N TRP A 111 5.719 -0.088 -5.259 1.00 0.00 N ATOM 1721 CA TRP A 111 4.908 -1.246 -4.924 1.00 0.00 C ATOM 1722 C TRP A 111 5.787 -2.234 -4.155 1.00 0.00 C ATOM 1723 O TRP A 111 6.959 -2.414 -4.487 1.00 0.00 O ATOM 1724 CB TRP A 111 4.277 -1.857 -6.178 1.00 0.00 C ATOM 1725 CG TRP A 111 3.223 -0.967 -6.840 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.404 -0.048 -7.797 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.808 -0.953 -6.554 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.213 0.558 -8.149 1.00 0.00 N ATOM 1729 CE2 TRP A 111 1.213 -0.010 -7.368 1.00 0.00 C ATOM 1730 CE3 TRP A 111 1.057 -1.708 -5.637 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.160 0.263 -7.347 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.313 -1.424 -5.629 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -0.929 -0.479 -6.441 1.00 0.00 C ATOM 0 H TRP A 111 6.630 -0.307 -5.663 1.00 0.00 H new ATOM 0 HA TRP A 111 4.071 -0.958 -4.288 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.064 -2.070 -6.901 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.819 -2.810 -5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.361 0.190 -8.238 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.090 1.287 -8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.502 -2.449 -4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.603 1.006 -7.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.936 -1.979 -4.943 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.995 -0.318 -6.374 1.00 0.00 H new ATOM 1744 N ALA A 112 5.190 -2.848 -3.144 1.00 0.00 N ATOM 1745 CA ALA A 112 5.906 -3.812 -2.327 1.00 0.00 C ATOM 1746 C ALA A 112 5.119 -5.125 -2.289 1.00 0.00 C ATOM 1747 O ALA A 112 3.901 -5.118 -2.113 1.00 0.00 O ATOM 1748 CB ALA A 112 6.135 -3.229 -0.931 1.00 0.00 C ATOM 0 H ALA A 112 4.219 -2.696 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 112 6.885 -4.026 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.672 -3.953 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.722 -2.314 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.174 -3.004 -0.468 1.00 0.00 H new ATOM 1754 N LEU A 113 5.848 -6.219 -2.454 1.00 0.00 N ATOM 1755 CA LEU A 113 5.233 -7.535 -2.440 1.00 0.00 C ATOM 1756 C LEU A 113 5.635 -8.268 -1.159 1.00 0.00 C ATOM 1757 O LEU A 113 6.815 -8.326 -0.817 1.00 0.00 O ATOM 1758 CB LEU A 113 5.578 -8.301 -3.720 1.00 0.00 C ATOM 1759 CG LEU A 113 4.773 -9.576 -3.975 1.00 0.00 C ATOM 1760 CD1 LEU A 113 3.321 -9.247 -4.328 1.00 0.00 C ATOM 1761 CD2 LEU A 113 5.442 -10.440 -5.047 1.00 0.00 C ATOM 0 H LEU A 113 6.858 -6.221 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 113 4.147 -7.447 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.440 -7.632 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.636 -8.563 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 113 4.756 -10.159 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.771 -10.171 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.861 -8.702 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.296 -8.632 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.850 -11.341 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.510 -9.877 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.443 -10.718 -4.718 1.00 0.00 H new ATOM 1773 N ILE A 114 4.631 -8.808 -0.483 1.00 0.00 N ATOM 1774 CA ILE A 114 4.865 -9.533 0.752 1.00 0.00 C ATOM 1775 C ILE A 114 4.313 -10.954 0.617 1.00 0.00 C ATOM 1776 O ILE A 114 3.103 -11.145 0.500 1.00 0.00 O ATOM 1777 CB ILE A 114 4.293 -8.761 1.944 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.823 -7.326 1.973 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.563 -9.500 3.257 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.233 -7.275 2.563 1.00 0.00 C ATOM 0 H ILE A 114 3.653 -8.757 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 114 5.934 -9.623 0.944 1.00 0.00 H new ATOM 0 HB ILE A 114 3.211 -8.702 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.833 -6.918 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.155 -6.699 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.146 -8.930 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.097 -10.485 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.638 -9.612 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.586 -6.244 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.215 -7.662 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.904 -7.883 1.956 1.00 0.00 H new ATOM 1792 N GLY A 115 5.226 -11.914 0.639 1.00 0.00 N ATOM 1793 CA GLY A 115 4.845 -13.311 0.521 1.00 0.00 C ATOM 1794 C GLY A 115 3.595 -13.611 1.351 1.00 0.00 C ATOM 1795 O GLY A 115 3.217 -12.824 2.217 1.00 0.00 O ATOM 0 H GLY A 115 6.228 -11.752 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.658 -13.553 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.667 -13.945 0.853 1.00 0.00 H new ATOM 1799 N LYS A 116 2.990 -14.752 1.058 1.00 0.00 N ATOM 1800 CA LYS A 116 1.791 -15.167 1.767 1.00 0.00 C ATOM 1801 C LYS A 116 2.146 -15.482 3.222 1.00 0.00 C ATOM 1802 O LYS A 116 1.301 -15.379 4.108 1.00 0.00 O ATOM 1803 CB LYS A 116 1.108 -16.325 1.037 1.00 0.00 C ATOM 1804 CG LYS A 116 2.002 -17.568 1.024 1.00 0.00 C ATOM 1805 CD LYS A 116 1.675 -18.488 2.201 1.00 0.00 C ATOM 1806 CE LYS A 116 2.710 -19.609 2.322 1.00 0.00 C ATOM 1807 NZ LYS A 116 2.308 -20.573 3.373 1.00 0.00 N ATOM 0 H LYS A 116 3.307 -15.403 0.339 1.00 0.00 H new ATOM 0 HA LYS A 116 1.061 -14.357 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.161 -16.559 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.876 -16.029 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.867 -18.108 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.049 -17.268 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.650 -17.909 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.682 -18.917 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.811 -20.124 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.686 -19.187 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.501 -21.542 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.848 -20.385 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.292 -20.470 3.568 1.00 0.00 H new ATOM 1820 N ASP A 117 3.400 -15.861 3.422 1.00 0.00 N ATOM 1821 CA ASP A 117 3.879 -16.193 4.753 1.00 0.00 C ATOM 1822 C ASP A 117 3.998 -14.911 5.581 1.00 0.00 C ATOM 1823 O ASP A 117 4.215 -14.968 6.791 1.00 0.00 O ATOM 1824 CB ASP A 117 5.261 -16.847 4.695 1.00 0.00 C ATOM 1825 CG ASP A 117 5.306 -18.305 5.154 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.311 -19.039 5.049 1.00 0.00 O ATOM 1827 OD2 ASP A 117 6.437 -18.688 5.644 1.00 0.00 O ATOM 0 H ASP A 117 4.099 -15.946 2.684 1.00 0.00 H new ATOM 0 HA ASP A 117 3.170 -16.888 5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.629 -16.793 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.947 -16.266 5.311 1.00 0.00 H new ATOM 1833 N GLY A 118 3.850 -13.787 4.897 1.00 0.00 N ATOM 1834 CA GLY A 118 3.938 -12.493 5.555 1.00 0.00 C ATOM 1835 C GLY A 118 5.388 -12.013 5.628 1.00 0.00 C ATOM 1836 O GLY A 118 5.789 -11.387 6.608 1.00 0.00 O ATOM 0 H GLY A 118 3.670 -13.744 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.337 -11.764 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.523 -12.563 6.561 1.00 0.00 H new ATOM 1840 N ASP A 119 6.135 -12.327 4.580 1.00 0.00 N ATOM 1841 CA ASP A 119 7.533 -11.935 4.513 1.00 0.00 C ATOM 1842 C ASP A 119 7.793 -11.205 3.194 1.00 0.00 C ATOM 1843 O ASP A 119 7.156 -11.498 2.182 1.00 0.00 O ATOM 1844 CB ASP A 119 8.451 -13.158 4.565 1.00 0.00 C ATOM 1845 CG ASP A 119 8.521 -13.969 3.270 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.808 -14.969 3.103 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.364 -13.530 2.396 1.00 0.00 O ATOM 0 H ASP A 119 5.799 -12.848 3.770 1.00 0.00 H new ATOM 0 HA ASP A 119 7.742 -11.290 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.457 -12.828 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.114 -13.813 5.368 1.00 0.00 H new ATOM 1853 N VAL A 120 8.726 -10.268 3.246 1.00 0.00 N ATOM 1854 CA VAL A 120 9.078 -9.493 2.067 1.00 0.00 C ATOM 1855 C VAL A 120 9.342 -10.445 0.898 1.00 0.00 C ATOM 1856 O VAL A 120 10.245 -11.279 0.964 1.00 0.00 O ATOM 1857 CB VAL A 120 10.265 -8.579 2.376 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.723 -7.834 1.120 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.926 -7.600 3.501 1.00 0.00 C ATOM 0 H VAL A 120 9.251 -10.026 4.087 1.00 0.00 H new ATOM 0 HA VAL A 120 8.253 -8.842 1.776 1.00 0.00 H new ATOM 0 HB VAL A 120 11.090 -9.205 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.568 -7.191 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.025 -8.554 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.903 -7.226 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.787 -6.962 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.079 -6.983 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.670 -8.156 4.403 1.00 0.00 H new ATOM 1869 N GLN A 121 8.539 -10.288 -0.143 1.00 0.00 N ATOM 1870 CA GLN A 121 8.676 -11.121 -1.326 1.00 0.00 C ATOM 1871 C GLN A 121 9.580 -10.440 -2.355 1.00 0.00 C ATOM 1872 O GLN A 121 10.640 -10.963 -2.699 1.00 0.00 O ATOM 1873 CB GLN A 121 7.308 -11.448 -1.929 1.00 0.00 C ATOM 1874 CG GLN A 121 7.440 -12.440 -3.086 1.00 0.00 C ATOM 1875 CD GLN A 121 6.737 -13.758 -2.760 1.00 0.00 C ATOM 1876 OE1 GLN A 121 7.070 -14.453 -1.815 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.746 -14.063 -3.595 1.00 0.00 N ATOM 0 H GLN A 121 7.791 -9.596 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 121 9.140 -12.062 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.658 -11.866 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.835 -10.532 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.011 -12.009 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.494 -12.627 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.519 -13.436 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.214 -14.923 -3.463 1.00 0.00 H new ATOM 1886 N ARG A 122 9.130 -9.283 -2.818 1.00 0.00 N ATOM 1887 CA ARG A 122 9.884 -8.525 -3.801 1.00 0.00 C ATOM 1888 C ARG A 122 9.467 -7.053 -3.771 1.00 0.00 C ATOM 1889 O ARG A 122 8.376 -6.722 -3.308 1.00 0.00 O ATOM 1890 CB ARG A 122 9.667 -9.080 -5.210 1.00 0.00 C ATOM 1891 CG ARG A 122 11.004 -9.361 -5.900 1.00 0.00 C ATOM 1892 CD ARG A 122 10.796 -10.143 -7.199 1.00 0.00 C ATOM 1893 NE ARG A 122 11.045 -9.265 -8.363 1.00 0.00 N ATOM 1894 CZ ARG A 122 11.044 -9.689 -9.646 1.00 0.00 C ATOM 1895 NH1 ARG A 122 10.808 -10.985 -9.938 1.00 0.00 N ATOM 1896 NH2 ARG A 122 11.279 -8.817 -10.609 1.00 0.00 N ATOM 0 H ARG A 122 8.252 -8.852 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 122 10.940 -8.612 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.081 -9.998 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.091 -8.368 -5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 122 11.511 -8.421 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 122 11.651 -9.927 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 122 11.469 -11.000 -7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.779 -10.534 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 122 11.229 -8.277 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.629 -11.652 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.809 -11.297 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.458 -7.839 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.282 -9.121 -11.583 1.00 0.00 H new ATOM 1909 N ILE A 123 10.358 -6.209 -4.269 1.00 0.00 N ATOM 1910 CA ILE A 123 10.095 -4.780 -4.304 1.00 0.00 C ATOM 1911 C ILE A 123 9.900 -4.338 -5.756 1.00 0.00 C ATOM 1912 O ILE A 123 10.672 -4.718 -6.634 1.00 0.00 O ATOM 1913 CB ILE A 123 11.200 -4.014 -3.573 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.795 -2.557 -3.340 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.533 -4.129 -4.315 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.397 -2.022 -2.039 1.00 0.00 C ATOM 0 H ILE A 123 11.262 -6.486 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 123 9.172 -4.549 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 123 11.340 -4.470 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.128 -1.945 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.708 -2.480 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 123 13.300 -3.575 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.822 -5.178 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.428 -3.716 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.094 -0.985 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 123 11.042 -2.621 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.484 -2.078 -2.091 1.00 0.00 H new ATOM 1928 N VAL A 124 8.863 -3.540 -5.963 1.00 0.00 N ATOM 1929 CA VAL A 124 8.556 -3.042 -7.294 1.00 0.00 C ATOM 1930 C VAL A 124 8.512 -1.513 -7.263 1.00 0.00 C ATOM 1931 O VAL A 124 7.663 -0.926 -6.595 1.00 0.00 O ATOM 1932 CB VAL A 124 7.254 -3.667 -7.798 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.812 -3.023 -9.114 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.394 -5.182 -7.947 1.00 0.00 C ATOM 0 H VAL A 124 8.225 -3.226 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 124 9.335 -3.331 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 124 6.480 -3.476 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.884 -3.485 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.652 -1.956 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.585 -3.169 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.454 -5.601 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.187 -5.406 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.641 -5.621 -6.980 1.00 0.00 H new ATOM 1944 N LYS A 125 9.440 -0.912 -7.996 1.00 0.00 N ATOM 1945 CA LYS A 125 9.518 0.537 -8.061 1.00 0.00 C ATOM 1946 C LYS A 125 9.022 1.010 -9.430 1.00 0.00 C ATOM 1947 O LYS A 125 9.639 0.717 -10.452 1.00 0.00 O ATOM 1948 CB LYS A 125 10.932 1.013 -7.721 1.00 0.00 C ATOM 1949 CG LYS A 125 11.282 0.695 -6.266 1.00 0.00 C ATOM 1950 CD LYS A 125 12.715 1.121 -5.941 1.00 0.00 C ATOM 1951 CE LYS A 125 13.572 -0.086 -5.554 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.949 0.344 -5.216 1.00 0.00 N ATOM 0 H LYS A 125 10.143 -1.403 -8.549 1.00 0.00 H new ATOM 0 HA LYS A 125 8.866 0.987 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.651 0.533 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.009 2.087 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.587 1.207 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.167 -0.374 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.154 1.621 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.707 1.843 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.125 -0.599 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.599 -0.800 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.518 -0.487 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.378 0.813 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.919 1.008 -4.416 1.00 0.00 H new ATOM 1965 N GLY A 126 7.911 1.732 -9.404 1.00 0.00 N ATOM 1966 CA GLY A 126 7.327 2.248 -10.629 1.00 0.00 C ATOM 1967 C GLY A 126 5.799 2.174 -10.580 1.00 0.00 C ATOM 1968 O GLY A 126 5.208 2.189 -9.502 1.00 0.00 O ATOM 0 H GLY A 126 7.401 1.971 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.640 3.281 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.695 1.677 -11.481 1.00 0.00 H new ATOM 1972 N SER A 127 5.204 2.097 -11.762 1.00 0.00 N ATOM 1973 CA SER A 127 3.757 2.022 -11.868 1.00 0.00 C ATOM 1974 C SER A 127 3.354 0.768 -12.646 1.00 0.00 C ATOM 1975 O SER A 127 4.041 0.366 -13.583 1.00 0.00 O ATOM 1976 CB SER A 127 3.188 3.271 -12.544 1.00 0.00 C ATOM 1977 OG SER A 127 4.110 4.358 -12.520 1.00 0.00 O ATOM 0 H SER A 127 5.698 2.085 -12.654 1.00 0.00 H new ATOM 0 HA SER A 127 3.343 1.967 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.929 3.038 -13.577 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.266 3.566 -12.043 1.00 0.00 H new ATOM 0 HG SER A 127 3.710 5.136 -12.963 1.00 0.00 H new ATOM 1983 N ILE A 128 2.241 0.184 -12.228 1.00 0.00 N ATOM 1984 CA ILE A 128 1.738 -1.018 -12.873 1.00 0.00 C ATOM 1985 C ILE A 128 0.262 -0.822 -13.226 1.00 0.00 C ATOM 1986 O ILE A 128 -0.396 0.067 -12.688 1.00 0.00 O ATOM 1987 CB ILE A 128 2.006 -2.247 -12.003 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.423 -2.061 -10.599 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.498 -2.579 -11.965 1.00 0.00 C ATOM 1990 CD1 ILE A 128 1.182 -3.412 -9.924 1.00 0.00 C ATOM 0 H ILE A 128 1.673 0.520 -11.451 1.00 0.00 H new ATOM 0 HA ILE A 128 2.268 -1.199 -13.808 1.00 0.00 H new ATOM 0 HB ILE A 128 1.499 -3.101 -12.453 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.105 -1.464 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.485 -1.508 -10.661 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.660 -3.457 -11.339 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.851 -2.784 -12.976 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.049 -1.733 -11.553 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.768 -3.253 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.481 -3.996 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.126 -3.951 -9.842 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.215 -1.667 -14.127 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.602 -1.599 -14.556 1.00 0.00 C ATOM 2004 C ASN A 129 -2.357 -2.819 -14.026 1.00 0.00 C ATOM 2005 O ASN A 129 -1.746 -3.767 -13.535 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.707 -1.606 -16.083 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.656 -2.532 -16.700 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.643 -3.733 -16.482 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.222 -1.909 -17.482 1.00 0.00 N ATOM 0 H ASN A 129 0.334 -2.403 -14.572 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.029 -0.674 -14.168 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.704 -1.931 -16.381 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.574 -0.594 -16.465 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.962 -2.439 -17.941 1.00 0.00 H new ATOM 0 HD22 ASN A 129 0.155 -0.901 -17.622 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.677 -2.756 -14.143 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.521 -3.844 -13.681 1.00 0.00 C ATOM 2018 C GLU A 130 -4.134 -5.151 -14.378 1.00 0.00 C ATOM 2019 O GLU A 130 -4.402 -6.235 -13.864 1.00 0.00 O ATOM 2020 CB GLU A 130 -5.999 -3.521 -13.902 1.00 0.00 C ATOM 2021 CG GLU A 130 -6.855 -4.789 -13.826 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.344 -4.450 -13.908 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -8.799 -3.490 -13.270 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.038 -5.226 -14.671 1.00 0.00 O ATOM 0 H GLU A 130 -4.181 -1.969 -14.551 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.366 -3.969 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.335 -2.806 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.130 -3.047 -14.875 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.586 -5.463 -14.640 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.649 -5.316 -12.894 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.509 -5.003 -15.537 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.082 -6.156 -16.310 1.00 0.00 C ATOM 2034 C ALA A 131 -1.943 -6.864 -15.574 1.00 0.00 C ATOM 2035 O ALA A 131 -2.018 -8.063 -15.314 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.680 -5.709 -17.716 1.00 0.00 C ATOM 0 H ALA A 131 -3.288 -4.101 -15.959 1.00 0.00 H new ATOM 0 HA ALA A 131 -3.899 -6.870 -16.417 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.360 -6.575 -18.295 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.533 -5.240 -18.206 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.860 -4.993 -17.650 1.00 0.00 H new ATOM 2042 N GLN A 132 -0.914 -6.091 -15.259 1.00 0.00 N ATOM 2043 CA GLN A 132 0.240 -6.629 -14.558 1.00 0.00 C ATOM 2044 C GLN A 132 -0.207 -7.406 -13.319 1.00 0.00 C ATOM 2045 O GLN A 132 0.233 -8.533 -13.096 1.00 0.00 O ATOM 2046 CB GLN A 132 1.222 -5.517 -14.185 1.00 0.00 C ATOM 2047 CG GLN A 132 2.358 -5.422 -15.207 1.00 0.00 C ATOM 2048 CD GLN A 132 2.907 -3.996 -15.284 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.181 -3.032 -15.458 1.00 0.00 O ATOM 2050 NE2 GLN A 132 4.228 -3.917 -15.143 1.00 0.00 N ATOM 0 H GLN A 132 -0.855 -5.096 -15.476 1.00 0.00 H new ATOM 0 HA GLN A 132 0.759 -7.317 -15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.695 -4.564 -14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.634 -5.708 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 132 3.158 -6.109 -14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.996 -5.730 -16.188 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.777 -4.765 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.691 -3.009 -15.178 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.076 -6.773 -12.544 1.00 0.00 N ATOM 2060 CA ALA A 133 -1.587 -7.390 -11.333 1.00 0.00 C ATOM 2061 C ALA A 133 -2.091 -8.798 -11.656 1.00 0.00 C ATOM 2062 O ALA A 133 -1.698 -9.767 -11.009 1.00 0.00 O ATOM 2063 CB ALA A 133 -2.679 -6.504 -10.729 1.00 0.00 C ATOM 0 H ALA A 133 -1.439 -5.838 -12.732 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.796 -7.486 -10.589 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.062 -6.968 -9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.263 -5.526 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.491 -6.387 -11.447 1.00 0.00 H new ATOM 2069 N LEU A 134 -2.956 -8.866 -12.659 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.518 -10.140 -13.076 1.00 0.00 C ATOM 2071 C LEU A 134 -2.383 -11.124 -13.368 1.00 0.00 C ATOM 2072 O LEU A 134 -2.467 -12.298 -13.012 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.477 -9.943 -14.252 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.734 -9.121 -13.960 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -6.910 -9.593 -14.817 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.069 -9.141 -12.467 1.00 0.00 C ATOM 0 H LEU A 134 -3.281 -8.061 -13.194 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.116 -10.572 -12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -3.932 -9.461 -15.063 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -4.784 -10.924 -14.613 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.534 -8.084 -14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.790 -8.992 -14.589 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.659 -9.483 -15.872 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.120 -10.641 -14.601 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -6.967 -8.549 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.242 -10.168 -12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.238 -8.720 -11.902 1.00 0.00 H new