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= -5.54! C(o=-8.4!,f=-18!) USER MOD Set 1.2: A 132 GLN : amide:sc= -2.9 K(o=-8.4,f=-17!) USER MOD Set 2.1: A 65 SER OG : rot 127:sc= 1.26 USER MOD Set 2.2: A 108 TYR OH : rot 108:sc= 1.37 USER MOD Set 3.1: A 27 THR OG1 : rot 160:sc= 0.398 USER MOD Set 3.2: A 59 ASN : amide:sc= 0.427 X(o=0.83,f=0.5) USER MOD Set 4.1: A 36 CYS SG : rot -144:sc= -1.5 USER MOD Set 4.2: A 39 CYS SG : rot 150:sc= -1.45 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -120:sc= -0.713 USER MOD Single : A 14 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0254 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 30 LYS NZ :NH3+ 146:sc= -1.02 (180deg=-3.61!) USER MOD Single : A 34 SER OG : rot -121:sc= 0.346! USER MOD Single : A 41 SER OG : rot -44:sc= 0.728 USER MOD Single : A 45 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.085) USER MOD Single : A 46 THR OG1 : rot 81:sc= 0.00533 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 64:sc= 0.175 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -107:sc= -0.153 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.065) 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= -1.92! C(o=-1.9!,f=-4.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= -0.111 (180deg=-0.668) USER MOD Single : A 93 THR OG1 : rot 53:sc= 0.0679 USER MOD Single : A 95 ASN : amide:sc= -0.0748 K(o=-0.075,f=-0.7) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1! C(o=-1!,f=-1.1!) USER MOD Single : A 106 SER OG : rot 27:sc= 0.214 USER MOD Single : A 110 SER OG : rot 113:sc= 1.15 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.5!) 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 1.035 -1.223 12.681 1.00 0.00 N ATOM 125 CA LEU A 9 0.838 0.020 11.956 1.00 0.00 C ATOM 126 C LEU A 9 -0.624 0.455 12.082 1.00 0.00 C ATOM 127 O LEU A 9 -1.478 -0.334 12.482 1.00 0.00 O ATOM 128 CB LEU A 9 1.312 -0.124 10.509 1.00 0.00 C ATOM 129 CG LEU A 9 2.814 0.057 10.274 1.00 0.00 C ATOM 130 CD1 LEU A 9 3.209 -0.408 8.871 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.239 1.503 10.539 1.00 0.00 C ATOM 0 HA LEU A 9 1.446 0.814 12.391 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.025 -1.112 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.778 0.604 9.898 1.00 0.00 H new ATOM 0 HG LEU A 9 3.350 -0.572 10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.281 -0.269 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.962 -1.463 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.666 0.176 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.310 1.605 10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.697 2.170 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.013 1.765 11.573 1.00 0.00 H new ATOM 143 N LYS A 10 -0.867 1.711 11.734 1.00 0.00 N ATOM 144 CA LYS A 10 -2.210 2.260 11.805 1.00 0.00 C ATOM 145 C LYS A 10 -2.511 3.026 10.515 1.00 0.00 C ATOM 146 O LYS A 10 -1.608 3.590 9.899 1.00 0.00 O ATOM 147 CB LYS A 10 -2.381 3.099 13.074 1.00 0.00 C ATOM 148 CG LYS A 10 -2.265 2.228 14.326 1.00 0.00 C ATOM 149 CD LYS A 10 -3.541 2.309 15.169 1.00 0.00 C ATOM 150 CE LYS A 10 -3.278 3.025 16.495 1.00 0.00 C ATOM 151 NZ LYS A 10 -4.018 2.367 17.594 1.00 0.00 N ATOM 0 H LYS A 10 -0.156 2.363 11.402 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.946 1.459 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.624 3.883 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.352 3.594 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.080 1.193 14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.411 2.551 14.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.315 2.838 14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.918 1.305 15.362 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.210 3.019 16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.582 4.069 16.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.829 2.865 18.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.038 2.395 17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.709 1.378 17.677 1.00 0.00 H new ATOM 164 N THR A 11 -3.784 3.021 10.146 1.00 0.00 N ATOM 165 CA THR A 11 -4.215 3.710 8.941 1.00 0.00 C ATOM 166 C THR A 11 -4.662 5.135 9.271 1.00 0.00 C ATOM 167 O THR A 11 -4.668 5.534 10.436 1.00 0.00 O ATOM 168 CB THR A 11 -5.309 2.867 8.282 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.148 2.477 9.366 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.776 1.545 7.728 1.00 0.00 C ATOM 0 H THR A 11 -4.530 2.551 10.659 1.00 0.00 H new ATOM 0 HA THR A 11 -3.394 3.818 8.232 1.00 0.00 H new ATOM 0 HB THR A 11 -5.770 3.438 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.171 1.499 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.593 0.986 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.011 1.747 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.344 0.959 8.539 1.00 0.00 H new ATOM 178 N ALA A 12 -5.025 5.864 8.227 1.00 0.00 N ATOM 179 CA ALA A 12 -5.473 7.237 8.391 1.00 0.00 C ATOM 180 C ALA A 12 -6.795 7.249 9.160 1.00 0.00 C ATOM 181 O ALA A 12 -7.255 8.304 9.595 1.00 0.00 O ATOM 182 CB ALA A 12 -5.589 7.904 7.020 1.00 0.00 C ATOM 0 H ALA A 12 -5.018 5.530 7.263 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.750 7.810 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.925 8.934 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.616 7.896 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.309 7.358 6.410 1.00 0.00 H new ATOM 188 N ASP A 13 -7.371 6.065 9.303 1.00 0.00 N ATOM 189 CA ASP A 13 -8.632 5.924 10.011 1.00 0.00 C ATOM 190 C ASP A 13 -8.359 5.461 11.443 1.00 0.00 C ATOM 191 O ASP A 13 -9.245 4.922 12.105 1.00 0.00 O ATOM 192 CB ASP A 13 -9.528 4.882 9.339 1.00 0.00 C ATOM 193 CG ASP A 13 -10.840 5.427 8.772 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.872 5.450 9.460 1.00 0.00 O ATOM 195 OD2 ASP A 13 -10.776 5.846 7.554 1.00 0.00 O ATOM 0 H ASP A 13 -6.987 5.193 8.940 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.134 6.891 10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.969 4.411 8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.759 4.102 10.064 1.00 0.00 H new ATOM 201 N ASN A 14 -7.129 5.688 11.880 1.00 0.00 N ATOM 202 CA ASN A 14 -6.728 5.300 13.223 1.00 0.00 C ATOM 203 C ASN A 14 -7.087 3.831 13.453 1.00 0.00 C ATOM 204 O ASN A 14 -7.367 3.427 14.580 1.00 0.00 O ATOM 205 CB ASN A 14 -7.456 6.136 14.278 1.00 0.00 C ATOM 206 CG ASN A 14 -6.462 6.917 15.140 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.477 8.136 15.201 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.600 6.150 15.802 1.00 0.00 N ATOM 0 H ASN A 14 -6.397 6.135 11.329 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.654 5.460 13.314 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.141 6.828 13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.059 5.485 14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.897 6.577 16.405 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.642 5.135 15.706 1.00 0.00 H new ATOM 215 N ARG A 15 -7.068 3.074 12.367 1.00 0.00 N ATOM 216 CA ARG A 15 -7.389 1.658 12.436 1.00 0.00 C ATOM 217 C ARG A 15 -6.108 0.822 12.395 1.00 0.00 C ATOM 218 O ARG A 15 -5.094 1.258 11.852 1.00 0.00 O ATOM 219 CB ARG A 15 -8.299 1.242 11.279 1.00 0.00 C ATOM 220 CG ARG A 15 -9.773 1.419 11.649 1.00 0.00 C ATOM 221 CD ARG A 15 -10.640 1.557 10.397 1.00 0.00 C ATOM 222 NE ARG A 15 -11.115 0.225 9.961 1.00 0.00 N ATOM 223 CZ ARG A 15 -11.802 0.002 8.821 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.100 1.022 7.989 1.00 0.00 N ATOM 225 NH2 ARG A 15 -12.178 -1.230 8.531 1.00 0.00 N ATOM 0 H ARG A 15 -6.835 3.414 11.434 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.913 1.482 13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.068 1.839 10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.108 0.201 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.109 0.564 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.891 2.303 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.491 2.206 10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.067 2.027 9.598 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.910 -0.575 10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.806 1.971 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.620 0.844 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.949 -1.996 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.698 -1.416 7.673 1.00 0.00 H new ATOM 238 N PRO A 16 -6.198 -0.397 12.993 1.00 0.00 N ATOM 239 CA PRO A 16 -5.059 -1.299 13.029 1.00 0.00 C ATOM 240 C PRO A 16 -4.828 -1.947 11.662 1.00 0.00 C ATOM 241 O PRO A 16 -5.758 -2.480 11.059 1.00 0.00 O ATOM 242 CB PRO A 16 -5.391 -2.307 14.116 1.00 0.00 C ATOM 243 CG PRO A 16 -6.893 -2.216 14.325 1.00 0.00 C ATOM 244 CD PRO A 16 -7.382 -0.948 13.646 1.00 0.00 C ATOM 0 HA PRO A 16 -4.123 -0.786 13.252 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.099 -3.314 13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.854 -2.079 15.037 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.390 -3.090 13.905 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.130 -2.195 15.389 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.169 -1.164 12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.798 -0.247 14.369 1.00 0.00 H new ATOM 252 N ALA A 17 -3.583 -1.879 11.214 1.00 0.00 N ATOM 253 CA ALA A 17 -3.218 -2.452 9.930 1.00 0.00 C ATOM 254 C ALA A 17 -3.395 -3.971 9.986 1.00 0.00 C ATOM 255 O ALA A 17 -3.402 -4.637 8.952 1.00 0.00 O ATOM 256 CB ALA A 17 -1.787 -2.044 9.576 1.00 0.00 C ATOM 0 H ALA A 17 -2.815 -1.436 11.717 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.868 -2.073 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.514 -2.474 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.722 -0.957 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.104 -2.409 10.343 1.00 0.00 H new ATOM 262 N SER A 18 -3.532 -4.475 11.204 1.00 0.00 N ATOM 263 CA SER A 18 -3.707 -5.902 11.408 1.00 0.00 C ATOM 264 C SER A 18 -4.989 -6.377 10.719 1.00 0.00 C ATOM 265 O SER A 18 -5.013 -7.449 10.116 1.00 0.00 O ATOM 266 CB SER A 18 -3.749 -6.244 12.899 1.00 0.00 C ATOM 267 OG SER A 18 -4.974 -5.844 13.504 1.00 0.00 O ATOM 0 H SER A 18 -3.525 -3.920 12.060 1.00 0.00 H new ATOM 0 HA SER A 18 -2.853 -6.417 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.615 -7.318 13.028 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.917 -5.755 13.407 1.00 0.00 H new ATOM 0 HG SER A 18 -4.962 -6.081 14.455 1.00 0.00 H new ATOM 273 N VAL A 19 -6.021 -5.554 10.830 1.00 0.00 N ATOM 274 CA VAL A 19 -7.302 -5.875 10.225 1.00 0.00 C ATOM 275 C VAL A 19 -7.097 -6.188 8.742 1.00 0.00 C ATOM 276 O VAL A 19 -7.914 -6.873 8.128 1.00 0.00 O ATOM 277 CB VAL A 19 -8.295 -4.736 10.464 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.506 -4.861 9.539 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.728 -4.685 11.931 1.00 0.00 C ATOM 0 H VAL A 19 -5.996 -4.665 11.330 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.730 -6.764 10.689 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.791 -3.798 10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.196 -4.039 9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.176 -4.824 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.011 -5.809 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.434 -3.867 12.074 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.205 -5.627 12.203 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.854 -4.525 12.563 1.00 0.00 H new ATOM 289 N TYR A 20 -6.001 -5.669 8.205 1.00 0.00 N ATOM 290 CA TYR A 20 -5.678 -5.883 6.806 1.00 0.00 C ATOM 291 C TYR A 20 -4.599 -6.956 6.651 1.00 0.00 C ATOM 292 O TYR A 20 -3.897 -6.995 5.641 1.00 0.00 O ATOM 293 CB TYR A 20 -5.133 -4.550 6.290 1.00 0.00 C ATOM 294 CG TYR A 20 -6.212 -3.594 5.774 1.00 0.00 C ATOM 295 CD1 TYR A 20 -6.751 -3.777 4.517 1.00 0.00 C ATOM 296 CD2 TYR A 20 -6.645 -2.550 6.566 1.00 0.00 C ATOM 297 CE1 TYR A 20 -7.765 -2.878 4.032 1.00 0.00 C ATOM 298 CE2 TYR A 20 -7.659 -1.651 6.082 1.00 0.00 C ATOM 299 CZ TYR A 20 -8.169 -1.859 4.838 1.00 0.00 C ATOM 300 OH TYR A 20 -9.127 -1.010 4.380 1.00 0.00 O ATOM 0 H TYR A 20 -5.326 -5.100 8.716 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.558 -6.216 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.581 -4.060 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.422 -4.746 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.412 -4.594 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.223 -2.408 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.196 -3.009 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.007 -0.830 6.692 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.317 -0.332 5.062 1.00 0.00 H new ATOM 310 N LEU A 21 -4.500 -7.802 7.665 1.00 0.00 N ATOM 311 CA LEU A 21 -3.518 -8.874 7.654 1.00 0.00 C ATOM 312 C LEU A 21 -4.039 -10.046 8.488 1.00 0.00 C ATOM 313 O LEU A 21 -4.216 -9.922 9.699 1.00 0.00 O ATOM 314 CB LEU A 21 -2.153 -8.354 8.110 1.00 0.00 C ATOM 315 CG LEU A 21 -1.165 -7.998 6.998 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.701 -6.545 7.122 1.00 0.00 C ATOM 317 CD2 LEU A 21 0.011 -8.975 6.975 1.00 0.00 C ATOM 0 H LEU A 21 -5.084 -7.767 8.501 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.370 -9.245 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.311 -7.468 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.694 -9.109 8.749 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.679 -8.092 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.001 -6.317 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.562 -5.881 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.211 -6.401 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.698 -8.699 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.533 -8.938 7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.359 -9.986 6.803 1.00 0.00 H new ATOM 329 N LYS A 22 -4.271 -11.158 7.805 1.00 0.00 N ATOM 330 CA LYS A 22 -4.769 -12.352 8.467 1.00 0.00 C ATOM 331 C LYS A 22 -5.308 -13.325 7.417 1.00 0.00 C ATOM 332 O LYS A 22 -5.241 -13.052 6.219 1.00 0.00 O ATOM 333 CB LYS A 22 -5.791 -11.981 9.544 1.00 0.00 C ATOM 334 CG LYS A 22 -5.188 -12.121 10.944 1.00 0.00 C ATOM 335 CD LYS A 22 -5.554 -13.468 11.566 1.00 0.00 C ATOM 336 CE LYS A 22 -5.637 -13.364 13.090 1.00 0.00 C ATOM 337 NZ LYS A 22 -6.956 -13.833 13.571 1.00 0.00 N ATOM 0 H LYS A 22 -4.123 -11.257 6.801 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.960 -12.863 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.130 -10.956 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.667 -12.623 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.104 -12.025 10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.547 -11.313 11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.510 -13.808 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.810 -14.215 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.845 -13.959 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.477 -12.331 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.995 -13.756 14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.707 -13.248 13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.094 -14.825 13.293 1.00 0.00 H new ATOM 350 N LYS A 23 -5.828 -14.442 7.903 1.00 0.00 N ATOM 351 CA LYS A 23 -6.379 -15.457 7.022 1.00 0.00 C ATOM 352 C LYS A 23 -5.251 -16.061 6.180 1.00 0.00 C ATOM 353 O LYS A 23 -5.490 -16.553 5.079 1.00 0.00 O ATOM 354 CB LYS A 23 -7.526 -14.880 6.190 1.00 0.00 C ATOM 355 CG LYS A 23 -8.880 -15.354 6.722 1.00 0.00 C ATOM 356 CD LYS A 23 -9.871 -15.576 5.578 1.00 0.00 C ATOM 357 CE LYS A 23 -10.768 -16.785 5.856 1.00 0.00 C ATOM 358 NZ LYS A 23 -10.775 -17.703 4.696 1.00 0.00 N ATOM 0 H LYS A 23 -5.879 -14.667 8.897 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.815 -16.270 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.484 -13.791 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.414 -15.183 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.751 -16.281 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.280 -14.616 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.485 -14.685 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.327 -15.729 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.414 -17.312 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.783 -16.451 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.388 -18.517 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.134 -17.202 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.807 -18.036 4.511 1.00 0.00 H new ATOM 371 N ASP A 24 -4.048 -16.002 6.733 1.00 0.00 N ATOM 372 CA ASP A 24 -2.884 -16.537 6.047 1.00 0.00 C ATOM 373 C ASP A 24 -2.970 -16.190 4.559 1.00 0.00 C ATOM 374 O ASP A 24 -2.623 -17.006 3.706 1.00 0.00 O ATOM 375 CB ASP A 24 -2.820 -18.059 6.175 1.00 0.00 C ATOM 376 CG ASP A 24 -2.218 -18.573 7.484 1.00 0.00 C ATOM 377 OD1 ASP A 24 -1.756 -17.790 8.326 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.235 -19.855 7.625 1.00 0.00 O ATOM 0 H ASP A 24 -3.854 -15.592 7.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.995 -16.100 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.829 -18.460 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.236 -18.454 5.344 1.00 0.00 H new ATOM 384 N LYS A 25 -3.436 -14.978 4.292 1.00 0.00 N ATOM 385 CA LYS A 25 -3.571 -14.513 2.922 1.00 0.00 C ATOM 386 C LYS A 25 -2.430 -13.548 2.600 1.00 0.00 C ATOM 387 O LYS A 25 -1.800 -13.001 3.503 1.00 0.00 O ATOM 388 CB LYS A 25 -4.962 -13.920 2.693 1.00 0.00 C ATOM 389 CG LYS A 25 -6.003 -15.022 2.486 1.00 0.00 C ATOM 390 CD LYS A 25 -7.174 -14.519 1.641 1.00 0.00 C ATOM 391 CE LYS A 25 -7.419 -15.437 0.441 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.659 -16.222 0.635 1.00 0.00 N ATOM 0 H LYS A 25 -3.725 -14.304 5.001 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.487 -15.348 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.244 -13.305 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.943 -13.265 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.539 -15.878 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.370 -15.367 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.074 -14.468 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.968 -13.507 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.496 -14.843 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.572 -16.110 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.811 -16.840 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.571 -16.803 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.467 -15.575 0.736 1.00 0.00 H new ATOM 405 N PRO A 26 -2.191 -13.362 1.273 1.00 0.00 N ATOM 406 CA PRO A 26 -1.136 -12.471 0.819 1.00 0.00 C ATOM 407 C PRO A 26 -1.546 -11.007 0.987 1.00 0.00 C ATOM 408 O PRO A 26 -2.734 -10.687 0.994 1.00 0.00 O ATOM 409 CB PRO A 26 -0.891 -12.858 -0.630 1.00 0.00 C ATOM 410 CG PRO A 26 -2.126 -13.626 -1.071 1.00 0.00 C ATOM 411 CD PRO A 26 -2.916 -13.992 0.174 1.00 0.00 C ATOM 0 HA PRO A 26 -0.221 -12.569 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.739 -11.974 -1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.005 -13.472 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.733 -13.020 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.842 -14.524 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.941 -13.625 0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.971 -15.073 0.304 1.00 0.00 H new ATOM 419 N THR A 27 -0.539 -10.155 1.117 1.00 0.00 N ATOM 420 CA THR A 27 -0.780 -8.731 1.284 1.00 0.00 C ATOM 421 C THR A 27 0.065 -7.929 0.294 1.00 0.00 C ATOM 422 O THR A 27 1.219 -8.271 0.036 1.00 0.00 O ATOM 423 CB THR A 27 -0.505 -8.374 2.746 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.327 -9.274 3.483 1.00 0.00 O ATOM 425 CG2 THR A 27 -1.041 -6.990 3.121 1.00 0.00 C ATOM 0 H THR A 27 0.445 -10.423 1.110 1.00 0.00 H new ATOM 0 HA THR A 27 -1.816 -8.476 1.061 1.00 0.00 H new ATOM 0 HB THR A 27 0.568 -8.412 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.993 -9.345 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.820 -6.786 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.566 -6.234 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.120 -6.963 2.966 1.00 0.00 H new ATOM 433 N LEU A 28 -0.540 -6.876 -0.235 1.00 0.00 N ATOM 434 CA LEU A 28 0.143 -6.021 -1.191 1.00 0.00 C ATOM 435 C LEU A 28 0.095 -4.573 -0.698 1.00 0.00 C ATOM 436 O LEU A 28 -0.969 -4.068 -0.346 1.00 0.00 O ATOM 437 CB LEU A 28 -0.440 -6.214 -2.592 1.00 0.00 C ATOM 438 CG LEU A 28 0.368 -5.611 -3.743 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.627 -6.435 -4.019 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.497 -5.450 -4.995 1.00 0.00 C ATOM 0 H LEU A 28 -1.497 -6.595 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 28 1.195 -6.297 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.552 -7.283 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.440 -5.781 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 28 0.694 -4.614 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.183 -5.985 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.252 -6.455 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.344 -7.453 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.101 -5.019 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.873 -6.425 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.337 -4.791 -4.775 1.00 0.00 H new ATOM 452 N ILE A 29 1.262 -3.945 -0.691 1.00 0.00 N ATOM 453 CA ILE A 29 1.368 -2.566 -0.248 1.00 0.00 C ATOM 454 C ILE A 29 1.680 -1.671 -1.451 1.00 0.00 C ATOM 455 O ILE A 29 2.349 -2.099 -2.390 1.00 0.00 O ATOM 456 CB ILE A 29 2.383 -2.445 0.888 1.00 0.00 C ATOM 457 CG1 ILE A 29 1.979 -3.315 2.080 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.585 -0.982 1.290 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.211 -3.859 2.807 1.00 0.00 C ATOM 0 H ILE A 29 2.143 -4.367 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 29 0.419 -2.225 0.166 1.00 0.00 H new ATOM 0 HB ILE A 29 3.343 -2.816 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.373 -2.730 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.360 -4.144 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.312 -0.924 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.951 -0.416 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.636 -0.562 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.894 -4.474 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.802 -4.463 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.815 -3.028 3.171 1.00 0.00 H new ATOM 471 N LYS A 30 1.181 -0.446 -1.381 1.00 0.00 N ATOM 472 CA LYS A 30 1.399 0.512 -2.451 1.00 0.00 C ATOM 473 C LYS A 30 1.705 1.884 -1.847 1.00 0.00 C ATOM 474 O LYS A 30 0.855 2.478 -1.186 1.00 0.00 O ATOM 475 CB LYS A 30 0.211 0.515 -3.417 1.00 0.00 C ATOM 476 CG LYS A 30 0.093 1.861 -4.136 1.00 0.00 C ATOM 477 CD LYS A 30 1.296 2.102 -5.050 1.00 0.00 C ATOM 478 CE LYS A 30 0.852 2.633 -6.414 1.00 0.00 C ATOM 479 NZ LYS A 30 0.711 4.106 -6.376 1.00 0.00 N ATOM 0 H LYS A 30 0.627 -0.095 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 30 2.265 0.227 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.331 -0.283 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.709 0.309 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.825 1.884 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.022 2.664 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.975 2.815 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.850 1.172 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.580 2.351 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.097 2.178 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.980 4.504 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.277 4.355 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.331 4.495 -5.637 1.00 0.00 H new ATOM 492 N PHE A 31 2.921 2.347 -2.097 1.00 0.00 N ATOM 493 CA PHE A 31 3.349 3.638 -1.586 1.00 0.00 C ATOM 494 C PHE A 31 2.943 4.766 -2.537 1.00 0.00 C ATOM 495 O PHE A 31 3.075 4.637 -3.752 1.00 0.00 O ATOM 496 CB PHE A 31 4.876 3.595 -1.487 1.00 0.00 C ATOM 497 CG PHE A 31 5.413 2.437 -0.644 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.591 1.212 -1.207 1.00 0.00 C ATOM 499 CD2 PHE A 31 5.712 2.633 0.667 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.090 0.137 -0.424 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.210 1.558 1.450 1.00 0.00 C ATOM 502 CZ PHE A 31 6.389 0.334 0.888 1.00 0.00 C ATOM 0 H PHE A 31 3.623 1.851 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 31 2.883 3.829 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.293 3.523 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.229 4.535 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.353 1.057 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.571 3.606 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.232 -0.836 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.446 1.713 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.769 -0.483 1.484 1.00 0.00 H new ATOM 512 N TRP A 32 2.455 5.847 -1.945 1.00 0.00 N ATOM 513 CA TRP A 32 2.029 6.998 -2.724 1.00 0.00 C ATOM 514 C TRP A 32 2.446 8.261 -1.969 1.00 0.00 C ATOM 515 O TRP A 32 2.894 8.185 -0.827 1.00 0.00 O ATOM 516 CB TRP A 32 0.526 6.940 -3.008 1.00 0.00 C ATOM 517 CG TRP A 32 -0.346 6.949 -1.752 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.501 5.972 -0.848 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.183 8.033 -1.295 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.373 6.344 0.154 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.801 7.637 -0.125 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.409 9.305 -1.849 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.686 8.455 0.588 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.297 10.108 -1.125 1.00 0.00 C ATOM 525 CH2 TRP A 32 -2.927 9.726 0.053 1.00 0.00 C ATOM 0 H TRP A 32 2.345 5.950 -0.936 1.00 0.00 H new ATOM 0 HA TRP A 32 2.511 7.002 -3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.252 7.789 -3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.310 6.039 -3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.005 5.014 -0.898 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.652 5.775 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.935 9.636 -2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.157 8.123 1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.508 11.095 -1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.600 10.407 0.554 1.00 0.00 H new ATOM 536 N ALA A 33 2.282 9.393 -2.638 1.00 0.00 N ATOM 537 CA ALA A 33 2.636 10.671 -2.043 1.00 0.00 C ATOM 538 C ALA A 33 1.564 11.705 -2.393 1.00 0.00 C ATOM 539 O ALA A 33 0.982 11.661 -3.475 1.00 0.00 O ATOM 540 CB ALA A 33 4.027 11.090 -2.524 1.00 0.00 C ATOM 0 H ALA A 33 1.909 9.452 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 33 2.676 10.591 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.293 12.048 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.757 10.337 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.024 11.184 -3.610 1.00 0.00 H new ATOM 546 N SER A 34 1.334 12.611 -1.453 1.00 0.00 N ATOM 547 CA SER A 34 0.341 13.654 -1.648 1.00 0.00 C ATOM 548 C SER A 34 0.817 14.637 -2.721 1.00 0.00 C ATOM 549 O SER A 34 0.022 15.108 -3.532 1.00 0.00 O ATOM 550 CB SER A 34 0.058 14.395 -0.339 1.00 0.00 C ATOM 551 OG SER A 34 -1.323 14.726 -0.202 1.00 0.00 O ATOM 0 H SER A 34 1.818 12.644 -0.556 1.00 0.00 H new ATOM 0 HA SER A 34 -0.586 13.186 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.368 13.776 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.655 15.306 -0.301 1.00 0.00 H new ATOM 0 HG SER A 34 -1.419 15.697 -0.112 1.00 0.00 H new ATOM 557 N TRP A 35 2.113 14.916 -2.690 1.00 0.00 N ATOM 558 CA TRP A 35 2.703 15.833 -3.650 1.00 0.00 C ATOM 559 C TRP A 35 2.674 15.161 -5.024 1.00 0.00 C ATOM 560 O TRP A 35 2.947 15.802 -6.038 1.00 0.00 O ATOM 561 CB TRP A 35 4.110 16.247 -3.216 1.00 0.00 C ATOM 562 CG TRP A 35 5.005 15.076 -2.805 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.426 14.750 -1.575 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.577 14.083 -3.682 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.223 13.624 -1.595 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.318 13.206 -2.917 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.473 13.930 -5.076 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.011 12.114 -3.455 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.171 12.836 -5.598 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.922 11.943 -4.841 1.00 0.00 C ATOM 0 H TRP A 35 2.770 14.523 -2.016 1.00 0.00 H new ATOM 0 HA TRP A 35 2.130 16.759 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.588 16.786 -4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.031 16.942 -2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.173 15.300 -0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.662 13.180 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.899 14.604 -5.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.583 11.441 -2.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.123 12.673 -6.665 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.434 11.122 -5.320 1.00 0.00 H new ATOM 581 N CYS A 36 2.341 13.878 -5.015 1.00 0.00 N ATOM 582 CA CYS A 36 2.274 13.113 -6.249 1.00 0.00 C ATOM 583 C CYS A 36 0.826 13.129 -6.743 1.00 0.00 C ATOM 584 O CYS A 36 -0.064 12.588 -6.089 1.00 0.00 O ATOM 585 CB CYS A 36 2.797 11.688 -6.059 1.00 0.00 C ATOM 586 SG CYS A 36 2.818 10.812 -7.666 1.00 0.00 S ATOM 0 H CYS A 36 2.115 13.349 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 36 2.919 13.569 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.801 11.713 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.166 11.151 -5.351 1.00 0.00 H new ATOM 0 HG CYS A 36 2.512 9.562 -7.483 1.00 0.00 H new ATOM 592 N PRO A 37 0.629 13.772 -7.925 1.00 0.00 N ATOM 593 CA PRO A 37 -0.695 13.865 -8.516 1.00 0.00 C ATOM 594 C PRO A 37 -1.115 12.528 -9.134 1.00 0.00 C ATOM 595 O PRO A 37 -2.207 12.031 -8.860 1.00 0.00 O ATOM 596 CB PRO A 37 -0.592 14.984 -9.539 1.00 0.00 C ATOM 597 CG PRO A 37 0.892 15.164 -9.813 1.00 0.00 C ATOM 598 CD PRO A 37 1.660 14.424 -8.728 1.00 0.00 C ATOM 0 HA PRO A 37 -1.469 14.085 -7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.129 14.729 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.033 15.905 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.149 14.772 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.155 16.222 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.348 13.695 -9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.256 15.110 -8.126 1.00 0.00 H new ATOM 606 N LEU A 38 -0.227 11.986 -9.954 1.00 0.00 N ATOM 607 CA LEU A 38 -0.491 10.719 -10.611 1.00 0.00 C ATOM 608 C LEU A 38 -0.944 9.694 -9.569 1.00 0.00 C ATOM 609 O LEU A 38 -1.785 8.843 -9.856 1.00 0.00 O ATOM 610 CB LEU A 38 0.726 10.272 -11.424 1.00 0.00 C ATOM 611 CG LEU A 38 1.720 9.363 -10.700 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.526 7.902 -11.110 1.00 0.00 C ATOM 613 CD2 LEU A 38 3.158 9.835 -10.922 1.00 0.00 C ATOM 0 H LEU A 38 0.677 12.402 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.304 10.825 -11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.372 9.753 -12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.258 11.161 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 38 1.523 9.426 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.245 7.277 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.514 7.584 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.680 7.802 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.844 9.171 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.385 9.821 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.271 10.850 -10.540 1.00 0.00 H new ATOM 625 N CYS A 39 -0.367 9.808 -8.383 1.00 0.00 N ATOM 626 CA CYS A 39 -0.700 8.902 -7.297 1.00 0.00 C ATOM 627 C CYS A 39 -2.119 9.221 -6.823 1.00 0.00 C ATOM 628 O CYS A 39 -2.957 8.329 -6.715 1.00 0.00 O ATOM 629 CB CYS A 39 0.316 8.988 -6.156 1.00 0.00 C ATOM 630 SG CYS A 39 1.492 7.591 -6.259 1.00 0.00 S ATOM 0 H CYS A 39 0.330 10.515 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.660 7.873 -7.654 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.856 9.933 -6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.200 8.970 -5.196 1.00 0.00 H new ATOM 0 HG CYS A 39 2.642 7.956 -5.776 1.00 0.00 H new ATOM 636 N LEU A 40 -2.345 10.500 -6.553 1.00 0.00 N ATOM 637 CA LEU A 40 -3.649 10.949 -6.094 1.00 0.00 C ATOM 638 C LEU A 40 -4.727 10.423 -7.043 1.00 0.00 C ATOM 639 O LEU A 40 -5.744 9.892 -6.598 1.00 0.00 O ATOM 640 CB LEU A 40 -3.663 12.470 -5.927 1.00 0.00 C ATOM 641 CG LEU A 40 -2.945 13.016 -4.691 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.690 14.517 -4.824 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.717 12.676 -3.414 1.00 0.00 C ATOM 0 H LEU A 40 -1.647 11.238 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.868 10.542 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.211 12.917 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.701 12.803 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.972 12.530 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.179 14.880 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.069 14.704 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.640 15.039 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.185 13.075 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.713 13.116 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.803 11.594 -3.318 1.00 0.00 H new ATOM 655 N SER A 41 -4.470 10.591 -8.332 1.00 0.00 N ATOM 656 CA SER A 41 -5.407 10.140 -9.347 1.00 0.00 C ATOM 657 C SER A 41 -5.473 8.612 -9.357 1.00 0.00 C ATOM 658 O SER A 41 -6.476 8.033 -9.772 1.00 0.00 O ATOM 659 CB SER A 41 -5.013 10.664 -10.730 1.00 0.00 C ATOM 660 OG SER A 41 -4.042 9.831 -11.359 1.00 0.00 O ATOM 0 H SER A 41 -3.626 11.033 -8.697 1.00 0.00 H new ATOM 0 HA SER A 41 -6.393 10.537 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.900 10.727 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.617 11.675 -10.636 1.00 0.00 H new ATOM 0 HG SER A 41 -3.349 9.589 -10.710 1.00 0.00 H new ATOM 666 N GLU A 42 -4.393 8.001 -8.893 1.00 0.00 N ATOM 667 CA GLU A 42 -4.316 6.552 -8.843 1.00 0.00 C ATOM 668 C GLU A 42 -5.152 6.016 -7.679 1.00 0.00 C ATOM 669 O GLU A 42 -5.662 4.898 -7.740 1.00 0.00 O ATOM 670 CB GLU A 42 -2.863 6.082 -8.736 1.00 0.00 C ATOM 671 CG GLU A 42 -2.317 5.671 -10.104 1.00 0.00 C ATOM 672 CD GLU A 42 -2.756 4.250 -10.464 1.00 0.00 C ATOM 673 OE1 GLU A 42 -3.954 3.936 -10.401 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.801 3.459 -10.822 1.00 0.00 O ATOM 0 H GLU A 42 -3.563 8.484 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.724 6.154 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.249 6.881 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.799 5.240 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.669 6.368 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.229 5.729 -10.098 1.00 0.00 H new ATOM 682 N LEU A 43 -5.267 6.839 -6.647 1.00 0.00 N ATOM 683 CA LEU A 43 -6.034 6.461 -5.471 1.00 0.00 C ATOM 684 C LEU A 43 -7.390 5.904 -5.908 1.00 0.00 C ATOM 685 O LEU A 43 -7.758 4.792 -5.536 1.00 0.00 O ATOM 686 CB LEU A 43 -6.136 7.637 -4.499 1.00 0.00 C ATOM 687 CG LEU A 43 -4.864 7.977 -3.721 1.00 0.00 C ATOM 688 CD1 LEU A 43 -5.172 8.908 -2.546 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.140 6.706 -3.271 1.00 0.00 C ATOM 0 H LEU A 43 -4.843 7.765 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.526 5.667 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.442 8.520 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.930 7.423 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.189 8.513 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.250 9.134 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.610 9.833 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.875 8.421 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.239 6.976 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.797 6.121 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.867 6.114 -4.145 1.00 0.00 H new ATOM 701 N GLY A 44 -8.098 6.705 -6.694 1.00 0.00 N ATOM 702 CA GLY A 44 -9.404 6.306 -7.186 1.00 0.00 C ATOM 703 C GLY A 44 -9.346 4.924 -7.841 1.00 0.00 C ATOM 704 O GLY A 44 -10.212 4.084 -7.602 1.00 0.00 O ATOM 0 H GLY A 44 -7.790 7.628 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.118 6.292 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.764 7.039 -7.908 1.00 0.00 H new ATOM 708 N GLN A 45 -8.318 4.733 -8.654 1.00 0.00 N ATOM 709 CA GLN A 45 -8.135 3.469 -9.345 1.00 0.00 C ATOM 710 C GLN A 45 -7.710 2.381 -8.357 1.00 0.00 C ATOM 711 O GLN A 45 -8.049 1.211 -8.534 1.00 0.00 O ATOM 712 CB GLN A 45 -7.119 3.606 -10.480 1.00 0.00 C ATOM 713 CG GLN A 45 -7.149 2.380 -11.394 1.00 0.00 C ATOM 714 CD GLN A 45 -7.420 2.782 -12.845 1.00 0.00 C ATOM 715 OE1 GLN A 45 -6.833 3.708 -13.380 1.00 0.00 O ATOM 716 NE2 GLN A 45 -8.343 2.038 -13.448 1.00 0.00 N ATOM 0 H GLN A 45 -7.603 5.433 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.088 3.179 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.336 4.502 -11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.119 3.730 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.197 1.852 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.920 1.688 -11.055 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.796 1.277 -12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.598 2.228 -14.417 1.00 0.00 H new ATOM 725 N THR A 46 -6.976 2.804 -7.339 1.00 0.00 N ATOM 726 CA THR A 46 -6.501 1.880 -6.323 1.00 0.00 C ATOM 727 C THR A 46 -7.636 1.515 -5.363 1.00 0.00 C ATOM 728 O THR A 46 -7.649 0.422 -4.799 1.00 0.00 O ATOM 729 CB THR A 46 -5.299 2.521 -5.627 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.230 2.350 -6.553 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.851 1.735 -4.393 1.00 0.00 C ATOM 0 H THR A 46 -6.698 3.775 -7.196 1.00 0.00 H new ATOM 0 HA THR A 46 -6.175 0.938 -6.765 1.00 0.00 H new ATOM 0 HB THR A 46 -5.549 3.542 -5.338 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.277 3.048 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.995 2.232 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.669 1.688 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.569 0.724 -4.688 1.00 0.00 H new ATOM 739 N GLU A 47 -8.560 2.450 -5.207 1.00 0.00 N ATOM 740 CA GLU A 47 -9.696 2.240 -4.325 1.00 0.00 C ATOM 741 C GLU A 47 -10.651 1.207 -4.926 1.00 0.00 C ATOM 742 O GLU A 47 -11.189 0.363 -4.211 1.00 0.00 O ATOM 743 CB GLU A 47 -10.421 3.557 -4.042 1.00 0.00 C ATOM 744 CG GLU A 47 -11.511 3.367 -2.985 1.00 0.00 C ATOM 745 CD GLU A 47 -11.832 4.689 -2.285 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.839 5.748 -2.931 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.083 4.590 -1.023 1.00 0.00 O ATOM 0 H GLU A 47 -8.546 3.356 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.327 1.855 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.705 4.304 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.864 3.937 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.412 2.971 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.185 2.632 -2.249 1.00 0.00 H new ATOM 755 N LYS A 48 -10.833 1.307 -6.235 1.00 0.00 N ATOM 756 CA LYS A 48 -11.713 0.392 -6.940 1.00 0.00 C ATOM 757 C LYS A 48 -10.991 -0.941 -7.153 1.00 0.00 C ATOM 758 O LYS A 48 -11.622 -1.997 -7.161 1.00 0.00 O ATOM 759 CB LYS A 48 -12.223 1.029 -8.235 1.00 0.00 C ATOM 760 CG LYS A 48 -11.202 0.865 -9.364 1.00 0.00 C ATOM 761 CD LYS A 48 -11.773 1.364 -10.694 1.00 0.00 C ATOM 762 CE LYS A 48 -11.562 0.332 -11.803 1.00 0.00 C ATOM 763 NZ LYS A 48 -12.839 0.050 -12.497 1.00 0.00 N ATOM 0 H LYS A 48 -10.386 2.008 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.601 0.183 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.168 0.568 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.422 2.088 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.295 1.419 -9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.920 -0.184 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.837 1.570 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.293 2.303 -10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.827 0.702 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.160 -0.589 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.679 -0.652 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.530 -0.323 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.207 0.927 -12.917 1.00 0.00 H new ATOM 776 N TRP A 49 -9.682 -0.848 -7.319 1.00 0.00 N ATOM 777 CA TRP A 49 -8.867 -2.032 -7.531 1.00 0.00 C ATOM 778 C TRP A 49 -8.938 -2.887 -6.264 1.00 0.00 C ATOM 779 O TRP A 49 -8.842 -4.112 -6.330 1.00 0.00 O ATOM 780 CB TRP A 49 -7.437 -1.653 -7.917 1.00 0.00 C ATOM 781 CG TRP A 49 -7.271 -1.268 -9.388 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.231 -1.060 -10.299 1.00 0.00 C ATOM 783 CD2 TRP A 49 -6.025 -1.053 -10.086 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.697 -0.727 -11.528 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.313 -0.722 -11.395 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.700 -1.133 -9.625 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.329 -0.447 -12.350 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.726 -0.855 -10.593 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.000 -0.521 -11.914 1.00 0.00 C ATOM 0 H TRP A 49 -9.163 0.030 -7.311 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.248 -2.617 -8.368 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.113 -0.819 -7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.777 -2.492 -7.695 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.289 -1.142 -10.098 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.222 -0.522 -12.378 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.452 -1.389 -8.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.580 -0.191 -13.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.690 -0.904 -10.292 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.192 -0.319 -12.601 1.00 0.00 H new ATOM 800 N ALA A 50 -9.106 -2.208 -5.140 1.00 0.00 N ATOM 801 CA ALA A 50 -9.191 -2.889 -3.859 1.00 0.00 C ATOM 802 C ALA A 50 -10.574 -3.528 -3.715 1.00 0.00 C ATOM 803 O ALA A 50 -10.815 -4.294 -2.784 1.00 0.00 O ATOM 804 CB ALA A 50 -8.886 -1.900 -2.732 1.00 0.00 C ATOM 0 H ALA A 50 -9.186 -1.192 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.451 -3.688 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.950 -2.412 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.881 -1.498 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.609 -1.085 -2.758 1.00 0.00 H new ATOM 810 N GLN A 51 -11.446 -3.186 -4.652 1.00 0.00 N ATOM 811 CA GLN A 51 -12.800 -3.717 -4.643 1.00 0.00 C ATOM 812 C GLN A 51 -12.955 -4.797 -5.715 1.00 0.00 C ATOM 813 O GLN A 51 -14.011 -5.418 -5.828 1.00 0.00 O ATOM 814 CB GLN A 51 -13.828 -2.601 -4.837 1.00 0.00 C ATOM 815 CG GLN A 51 -14.067 -1.842 -3.530 1.00 0.00 C ATOM 816 CD GLN A 51 -15.512 -1.344 -3.443 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.307 -1.502 -4.354 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.805 -0.737 -2.296 1.00 0.00 N ATOM 0 H GLN A 51 -11.242 -2.549 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.984 -4.171 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.479 -1.910 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.767 -3.025 -5.193 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.851 -2.492 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.382 -0.996 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.091 -0.638 -1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.744 -0.370 -2.138 1.00 0.00 H new ATOM 827 N ASP A 52 -11.885 -4.990 -6.474 1.00 0.00 N ATOM 828 CA ASP A 52 -11.889 -5.984 -7.534 1.00 0.00 C ATOM 829 C ASP A 52 -11.736 -7.377 -6.919 1.00 0.00 C ATOM 830 O ASP A 52 -10.861 -7.598 -6.084 1.00 0.00 O ATOM 831 CB ASP A 52 -10.724 -5.764 -8.501 1.00 0.00 C ATOM 832 CG ASP A 52 -10.326 -6.990 -9.322 1.00 0.00 C ATOM 833 OD1 ASP A 52 -11.114 -7.932 -9.488 1.00 0.00 O ATOM 834 OD2 ASP A 52 -9.133 -6.953 -9.812 1.00 0.00 O ATOM 0 H ASP A 52 -11.010 -4.475 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.830 -5.894 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.987 -4.957 -9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.857 -5.430 -7.931 1.00 0.00 H new ATOM 840 N ALA A 53 -12.600 -8.281 -7.357 1.00 0.00 N ATOM 841 CA ALA A 53 -12.573 -9.646 -6.861 1.00 0.00 C ATOM 842 C ALA A 53 -11.162 -10.216 -7.031 1.00 0.00 C ATOM 843 O ALA A 53 -10.602 -10.784 -6.093 1.00 0.00 O ATOM 844 CB ALA A 53 -13.629 -10.478 -7.592 1.00 0.00 C ATOM 0 H ALA A 53 -13.324 -8.094 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.816 -9.673 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.608 -11.502 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.616 -10.049 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.417 -10.477 -8.661 1.00 0.00 H new ATOM 850 N LYS A 54 -10.630 -10.046 -8.231 1.00 0.00 N ATOM 851 CA LYS A 54 -9.295 -10.536 -8.535 1.00 0.00 C ATOM 852 C LYS A 54 -8.324 -10.060 -7.454 1.00 0.00 C ATOM 853 O LYS A 54 -7.478 -10.826 -6.993 1.00 0.00 O ATOM 854 CB LYS A 54 -8.886 -10.131 -9.952 1.00 0.00 C ATOM 855 CG LYS A 54 -9.446 -11.109 -10.985 1.00 0.00 C ATOM 856 CD LYS A 54 -10.586 -10.472 -11.782 1.00 0.00 C ATOM 857 CE LYS A 54 -10.527 -10.890 -13.254 1.00 0.00 C ATOM 858 NZ LYS A 54 -11.737 -11.656 -13.623 1.00 0.00 N ATOM 0 H LYS A 54 -11.098 -9.576 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.276 -11.626 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.248 -9.125 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.799 -10.101 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.652 -11.420 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.806 -12.007 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.544 -10.769 -11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.525 -9.386 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.442 -10.006 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.638 -11.495 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.681 -11.932 -14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.801 -12.509 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.580 -11.066 -13.473 1.00 0.00 H new ATOM 871 N PHE A 55 -8.476 -8.799 -7.080 1.00 0.00 N ATOM 872 CA PHE A 55 -7.621 -8.211 -6.061 1.00 0.00 C ATOM 873 C PHE A 55 -8.045 -8.664 -4.663 1.00 0.00 C ATOM 874 O PHE A 55 -7.202 -8.874 -3.793 1.00 0.00 O ATOM 875 CB PHE A 55 -7.784 -6.693 -6.163 1.00 0.00 C ATOM 876 CG PHE A 55 -6.642 -5.994 -6.905 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.364 -6.120 -6.459 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.907 -5.247 -8.009 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.305 -5.472 -7.148 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.849 -4.598 -8.699 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.569 -4.723 -8.253 1.00 0.00 C ATOM 0 H PHE A 55 -9.178 -8.167 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.588 -8.521 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.723 -6.472 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.859 -6.277 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.154 -6.713 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.923 -5.147 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.289 -5.574 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.060 -4.006 -9.577 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.764 -4.228 -8.776 1.00 0.00 H new ATOM 891 N SER A 56 -9.351 -8.804 -4.491 1.00 0.00 N ATOM 892 CA SER A 56 -9.897 -9.229 -3.212 1.00 0.00 C ATOM 893 C SER A 56 -9.115 -10.432 -2.684 1.00 0.00 C ATOM 894 O SER A 56 -8.768 -10.482 -1.504 1.00 0.00 O ATOM 895 CB SER A 56 -11.382 -9.573 -3.335 1.00 0.00 C ATOM 896 OG SER A 56 -12.195 -8.408 -3.430 1.00 0.00 O ATOM 0 H SER A 56 -10.048 -8.631 -5.216 1.00 0.00 H new ATOM 0 HA SER A 56 -9.801 -8.403 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.538 -10.196 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.691 -10.160 -2.470 1.00 0.00 H new ATOM 0 HG SER A 56 -11.978 -7.924 -4.254 1.00 0.00 H new ATOM 902 N SER A 57 -8.859 -11.372 -3.582 1.00 0.00 N ATOM 903 CA SER A 57 -8.124 -12.572 -3.220 1.00 0.00 C ATOM 904 C SER A 57 -6.995 -12.221 -2.249 1.00 0.00 C ATOM 905 O SER A 57 -6.797 -12.908 -1.246 1.00 0.00 O ATOM 906 CB SER A 57 -7.558 -13.266 -4.461 1.00 0.00 C ATOM 907 OG SER A 57 -7.679 -14.683 -4.381 1.00 0.00 O ATOM 0 H SER A 57 -9.147 -11.327 -4.559 1.00 0.00 H new ATOM 0 HA SER A 57 -8.814 -13.261 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.081 -12.907 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.508 -12.998 -4.579 1.00 0.00 H new ATOM 0 HG SER A 57 -7.308 -15.089 -5.192 1.00 0.00 H new ATOM 913 N ALA A 58 -6.286 -11.152 -2.576 1.00 0.00 N ATOM 914 CA ALA A 58 -5.182 -10.703 -1.743 1.00 0.00 C ATOM 915 C ALA A 58 -5.561 -9.379 -1.074 1.00 0.00 C ATOM 916 O ALA A 58 -6.536 -8.739 -1.464 1.00 0.00 O ATOM 917 CB ALA A 58 -3.916 -10.582 -2.595 1.00 0.00 C ATOM 0 H ALA A 58 -6.453 -10.583 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.977 -11.427 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.088 -10.245 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.674 -11.553 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.083 -9.861 -3.395 1.00 0.00 H new ATOM 923 N ASN A 59 -4.769 -9.010 -0.078 1.00 0.00 N ATOM 924 CA ASN A 59 -5.011 -7.775 0.650 1.00 0.00 C ATOM 925 C ASN A 59 -4.287 -6.625 -0.054 1.00 0.00 C ATOM 926 O ASN A 59 -3.088 -6.709 -0.317 1.00 0.00 O ATOM 927 CB ASN A 59 -4.476 -7.866 2.080 1.00 0.00 C ATOM 928 CG ASN A 59 -4.928 -9.162 2.754 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.948 -9.743 2.420 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.116 -9.583 3.720 1.00 0.00 N ATOM 0 H ASN A 59 -3.960 -9.543 0.242 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.087 -7.604 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.387 -7.819 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.826 -7.010 2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.332 -10.439 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.278 -9.050 3.950 1.00 0.00 H new ATOM 937 N LEU A 60 -5.046 -5.576 -0.338 1.00 0.00 N ATOM 938 CA LEU A 60 -4.492 -4.410 -1.005 1.00 0.00 C ATOM 939 C LEU A 60 -4.599 -3.199 -0.079 1.00 0.00 C ATOM 940 O LEU A 60 -5.682 -2.880 0.413 1.00 0.00 O ATOM 941 CB LEU A 60 -5.161 -4.204 -2.366 1.00 0.00 C ATOM 942 CG LEU A 60 -4.497 -3.182 -3.292 1.00 0.00 C ATOM 943 CD1 LEU A 60 -5.004 -3.333 -4.727 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.687 -1.759 -2.763 1.00 0.00 C ATOM 0 H LEU A 60 -6.040 -5.510 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.433 -4.559 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.194 -5.164 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.193 -3.896 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.425 -3.379 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.517 -2.595 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.775 -4.335 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.082 -3.177 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.206 -1.052 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.752 -1.533 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.239 -1.676 -1.773 1.00 0.00 H new ATOM 956 N ILE A 61 -3.461 -2.554 0.134 1.00 0.00 N ATOM 957 CA ILE A 61 -3.413 -1.383 0.995 1.00 0.00 C ATOM 958 C ILE A 61 -2.275 -0.469 0.539 1.00 0.00 C ATOM 959 O ILE A 61 -1.361 -0.907 -0.158 1.00 0.00 O ATOM 960 CB ILE A 61 -3.315 -1.803 2.464 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.907 -2.295 2.800 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.384 -2.839 2.810 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.674 -2.298 4.313 1.00 0.00 C ATOM 0 H ILE A 61 -2.565 -2.820 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.336 -0.809 0.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.505 -0.927 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.765 -3.301 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.169 -1.655 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.292 -3.120 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.372 -2.415 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.251 -3.722 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.665 -2.652 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.793 -1.286 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.398 -2.958 4.791 1.00 0.00 H new ATOM 975 N THR A 62 -2.367 0.787 0.952 1.00 0.00 N ATOM 976 CA THR A 62 -1.358 1.769 0.594 1.00 0.00 C ATOM 977 C THR A 62 -0.569 2.198 1.833 1.00 0.00 C ATOM 978 O THR A 62 -1.058 2.081 2.956 1.00 0.00 O ATOM 979 CB THR A 62 -2.057 2.932 -0.113 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.779 3.586 0.925 1.00 0.00 O ATOM 981 CG2 THR A 62 -3.143 2.459 -1.083 1.00 0.00 C ATOM 0 H THR A 62 -3.125 1.147 1.531 1.00 0.00 H new ATOM 0 HA THR A 62 -0.623 1.348 -0.092 1.00 0.00 H new ATOM 0 HB THR A 62 -1.319 3.524 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.735 3.395 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.608 3.323 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.697 1.822 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.899 1.895 -0.536 1.00 0.00 H new ATOM 989 N VAL A 63 0.638 2.686 1.587 1.00 0.00 N ATOM 990 CA VAL A 63 1.499 3.132 2.669 1.00 0.00 C ATOM 991 C VAL A 63 2.007 4.542 2.362 1.00 0.00 C ATOM 992 O VAL A 63 2.322 4.856 1.215 1.00 0.00 O ATOM 993 CB VAL A 63 2.630 2.124 2.889 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.841 2.793 3.541 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.148 0.933 3.719 1.00 0.00 C ATOM 0 H VAL A 63 1.040 2.782 0.654 1.00 0.00 H new ATOM 0 HA VAL A 63 0.941 3.183 3.604 1.00 0.00 H new ATOM 0 HB VAL A 63 2.940 1.749 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.630 2.055 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.206 3.592 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.551 3.209 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.970 0.232 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.799 1.284 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.331 0.433 3.198 1.00 0.00 H new ATOM 1005 N ALA A 64 2.071 5.355 3.406 1.00 0.00 N ATOM 1006 CA ALA A 64 2.535 6.724 3.262 1.00 0.00 C ATOM 1007 C ALA A 64 3.521 7.044 4.388 1.00 0.00 C ATOM 1008 O ALA A 64 3.351 6.586 5.516 1.00 0.00 O ATOM 1009 CB ALA A 64 1.336 7.672 3.251 1.00 0.00 C ATOM 0 H ALA A 64 1.809 5.091 4.356 1.00 0.00 H new ATOM 0 HA ALA A 64 3.060 6.853 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.685 8.699 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.682 7.421 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.785 7.573 4.186 1.00 0.00 H new ATOM 1015 N SER A 65 4.531 7.830 4.040 1.00 0.00 N ATOM 1016 CA SER A 65 5.543 8.217 5.007 1.00 0.00 C ATOM 1017 C SER A 65 5.474 9.724 5.263 1.00 0.00 C ATOM 1018 O SER A 65 5.859 10.521 4.408 1.00 0.00 O ATOM 1019 CB SER A 65 6.942 7.825 4.527 1.00 0.00 C ATOM 1020 OG SER A 65 6.947 6.557 3.877 1.00 0.00 O ATOM 0 H SER A 65 4.669 8.208 3.103 1.00 0.00 H new ATOM 0 HA SER A 65 5.345 7.687 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.316 8.585 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.623 7.799 5.378 1.00 0.00 H new ATOM 0 HG SER A 65 7.361 6.644 2.993 1.00 0.00 H new ATOM 1026 N PRO A 66 4.967 10.078 6.474 1.00 0.00 N ATOM 1027 CA PRO A 66 4.843 11.476 6.852 1.00 0.00 C ATOM 1028 C PRO A 66 6.206 12.072 7.211 1.00 0.00 C ATOM 1029 O PRO A 66 6.993 11.447 7.920 1.00 0.00 O ATOM 1030 CB PRO A 66 3.869 11.482 8.019 1.00 0.00 C ATOM 1031 CG PRO A 66 3.844 10.057 8.548 1.00 0.00 C ATOM 1032 CD PRO A 66 4.503 9.164 7.511 1.00 0.00 C ATOM 0 HA PRO A 66 4.475 12.100 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.190 12.180 8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.876 11.797 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.374 9.993 9.499 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.819 9.736 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.331 8.602 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.798 8.436 7.110 1.00 0.00 H new ATOM 1040 N GLY A 67 6.444 13.271 6.701 1.00 0.00 N ATOM 1041 CA GLY A 67 7.699 13.959 6.957 1.00 0.00 C ATOM 1042 C GLY A 67 8.868 13.227 6.295 1.00 0.00 C ATOM 1043 O GLY A 67 10.028 13.574 6.518 1.00 0.00 O ATOM 0 H GLY A 67 5.789 13.784 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.643 14.980 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.869 14.027 8.032 1.00 0.00 H new ATOM 1047 N PHE A 68 8.525 12.230 5.493 1.00 0.00 N ATOM 1048 CA PHE A 68 9.531 11.448 4.797 1.00 0.00 C ATOM 1049 C PHE A 68 9.346 11.541 3.281 1.00 0.00 C ATOM 1050 O PHE A 68 8.256 11.290 2.769 1.00 0.00 O ATOM 1051 CB PHE A 68 9.348 9.992 5.234 1.00 0.00 C ATOM 1052 CG PHE A 68 10.135 8.987 4.391 1.00 0.00 C ATOM 1053 CD1 PHE A 68 9.729 8.693 3.127 1.00 0.00 C ATOM 1054 CD2 PHE A 68 11.241 8.386 4.908 1.00 0.00 C ATOM 1055 CE1 PHE A 68 10.459 7.760 2.345 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.972 7.452 4.125 1.00 0.00 C ATOM 1057 CZ PHE A 68 11.565 7.158 2.861 1.00 0.00 C ATOM 0 H PHE A 68 7.563 11.946 5.310 1.00 0.00 H new ATOM 0 HA PHE A 68 10.526 11.823 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.653 9.895 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.289 9.740 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.851 9.170 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.563 8.619 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.137 7.528 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.851 6.976 4.534 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.120 6.447 2.267 1.00 0.00 H new ATOM 1067 N LEU A 69 10.428 11.902 2.606 1.00 0.00 N ATOM 1068 CA LEU A 69 10.399 12.030 1.159 1.00 0.00 C ATOM 1069 C LEU A 69 9.712 13.345 0.782 1.00 0.00 C ATOM 1070 O LEU A 69 9.067 13.436 -0.262 1.00 0.00 O ATOM 1071 CB LEU A 69 9.754 10.796 0.524 1.00 0.00 C ATOM 1072 CG LEU A 69 10.076 10.555 -0.951 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.544 10.868 -1.251 1.00 0.00 C ATOM 1074 CD2 LEU A 69 9.696 9.133 -1.372 1.00 0.00 C ATOM 0 H LEU A 69 11.330 12.110 3.035 1.00 0.00 H new ATOM 0 HA LEU A 69 11.412 12.072 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.062 9.917 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.672 10.881 0.630 1.00 0.00 H new ATOM 0 HG LEU A 69 9.472 11.239 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.746 10.688 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.749 11.912 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.184 10.227 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.936 8.989 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.254 8.414 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.627 8.982 -1.219 1.00 0.00 H new ATOM 1086 N HIS A 70 9.874 14.330 1.653 1.00 0.00 N ATOM 1087 CA HIS A 70 9.277 15.635 1.424 1.00 0.00 C ATOM 1088 C HIS A 70 7.753 15.517 1.459 1.00 0.00 C ATOM 1089 O HIS A 70 7.045 16.430 1.037 1.00 0.00 O ATOM 1090 CB HIS A 70 9.795 16.249 0.122 1.00 0.00 C ATOM 1091 CG HIS A 70 11.235 16.701 0.184 1.00 0.00 C ATOM 1092 ND1 HIS A 70 12.296 15.817 0.246 1.00 0.00 N ATOM 1093 CD2 HIS A 70 11.775 17.954 0.194 1.00 0.00 C ATOM 1094 CE1 HIS A 70 13.421 16.515 0.291 1.00 0.00 C ATOM 1095 NE2 HIS A 70 13.096 17.839 0.260 1.00 0.00 N ATOM 0 H HIS A 70 10.409 14.251 2.518 1.00 0.00 H new ATOM 0 HA HIS A 70 9.571 16.317 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.689 15.518 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.169 17.102 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.222 18.881 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.420 16.107 0.343 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.759 18.614 0.284 1.00 0.00 H new ATOM 1104 N GLU A 71 7.291 14.383 1.967 1.00 0.00 N ATOM 1105 CA GLU A 71 5.863 14.133 2.062 1.00 0.00 C ATOM 1106 C GLU A 71 5.283 14.826 3.296 1.00 0.00 C ATOM 1107 O GLU A 71 5.947 14.921 4.329 1.00 0.00 O ATOM 1108 CB GLU A 71 5.570 12.631 2.089 1.00 0.00 C ATOM 1109 CG GLU A 71 4.516 12.259 1.045 1.00 0.00 C ATOM 1110 CD GLU A 71 3.334 13.230 1.089 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.350 14.260 0.398 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.373 12.883 1.877 1.00 0.00 O ATOM 0 H GLU A 71 7.881 13.628 2.317 1.00 0.00 H new ATOM 0 HA GLU A 71 5.382 14.549 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.488 12.074 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.222 12.343 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.964 12.270 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.164 11.243 1.225 1.00 0.00 H new ATOM 1120 N LYS A 72 4.053 15.296 3.150 1.00 0.00 N ATOM 1121 CA LYS A 72 3.377 15.978 4.241 1.00 0.00 C ATOM 1122 C LYS A 72 3.689 15.262 5.556 1.00 0.00 C ATOM 1123 O LYS A 72 3.950 14.059 5.567 1.00 0.00 O ATOM 1124 CB LYS A 72 1.880 16.103 3.949 1.00 0.00 C ATOM 1125 CG LYS A 72 1.568 17.425 3.245 1.00 0.00 C ATOM 1126 CD LYS A 72 1.135 18.493 4.253 1.00 0.00 C ATOM 1127 CE LYS A 72 0.391 19.633 3.557 1.00 0.00 C ATOM 1128 NZ LYS A 72 -1.016 19.688 4.013 1.00 0.00 N ATOM 0 H LYS A 72 3.506 15.218 2.292 1.00 0.00 H new ATOM 0 HA LYS A 72 3.746 16.999 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.556 15.270 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.318 16.041 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.448 17.768 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.778 17.272 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.493 18.044 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.010 18.887 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.886 20.581 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.424 19.491 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.507 20.468 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.489 18.789 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.042 19.846 5.041 1.00 0.00 H new ATOM 1141 N LYS A 73 3.655 16.031 6.634 1.00 0.00 N ATOM 1142 CA LYS A 73 3.930 15.486 7.952 1.00 0.00 C ATOM 1143 C LYS A 73 2.699 14.731 8.455 1.00 0.00 C ATOM 1144 O LYS A 73 1.610 14.871 7.899 1.00 0.00 O ATOM 1145 CB LYS A 73 4.405 16.589 8.900 1.00 0.00 C ATOM 1146 CG LYS A 73 5.155 16.000 10.097 1.00 0.00 C ATOM 1147 CD LYS A 73 5.920 17.086 10.854 1.00 0.00 C ATOM 1148 CE LYS A 73 5.397 17.229 12.284 1.00 0.00 C ATOM 1149 NZ LYS A 73 5.564 18.620 12.761 1.00 0.00 N ATOM 0 H LYS A 73 3.441 17.028 6.621 1.00 0.00 H new ATOM 0 HA LYS A 73 4.747 14.766 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.055 17.279 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.549 17.165 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.449 15.513 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.850 15.233 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.982 16.841 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.822 18.037 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.344 16.949 12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.932 16.546 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.204 18.699 13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.572 18.874 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.033 19.265 12.142 1.00 0.00 H new ATOM 1162 N ASP A 74 2.911 13.947 9.501 1.00 0.00 N ATOM 1163 CA ASP A 74 1.831 13.170 10.086 1.00 0.00 C ATOM 1164 C ASP A 74 0.799 14.119 10.698 1.00 0.00 C ATOM 1165 O ASP A 74 1.150 15.188 11.195 1.00 0.00 O ATOM 1166 CB ASP A 74 2.350 12.255 11.198 1.00 0.00 C ATOM 1167 CG ASP A 74 1.299 11.823 12.221 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.694 12.659 12.910 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.109 10.549 12.302 1.00 0.00 O ATOM 0 H ASP A 74 3.815 13.833 9.959 1.00 0.00 H new ATOM 0 HA ASP A 74 1.387 12.563 9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.781 11.363 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.157 12.767 11.722 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.455 13.693 10.641 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.541 14.492 11.184 1.00 0.00 C ATOM 1177 C GLY A 75 -2.058 15.491 10.147 1.00 0.00 C ATOM 1178 O GLY A 75 -3.265 15.600 9.933 1.00 0.00 O ATOM 0 H GLY A 75 -0.743 12.806 10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.354 13.839 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.197 15.027 12.069 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.119 16.194 9.530 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.466 17.180 8.520 1.00 0.00 C ATOM 1184 C ASP A 76 -1.821 16.464 7.215 1.00 0.00 C ATOM 1185 O ASP A 76 -2.613 16.970 6.422 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.289 18.117 8.241 1.00 0.00 C ATOM 1187 CG ASP A 76 0.072 19.063 9.387 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.807 19.539 10.122 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.330 19.312 9.512 1.00 0.00 O ATOM 0 H ASP A 76 -0.119 16.101 9.710 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.311 17.761 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.586 17.514 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.520 18.713 7.358 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.218 15.298 7.033 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.461 14.509 5.839 1.00 0.00 C ATOM 1197 C PHE A 77 -2.801 13.778 5.928 1.00 0.00 C ATOM 1198 O PHE A 77 -3.648 13.918 5.046 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.337 13.475 5.749 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.692 12.238 4.921 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -0.451 12.224 3.582 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -1.249 11.154 5.523 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -0.781 11.077 2.814 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -1.579 10.006 4.754 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.339 9.992 3.416 1.00 0.00 C ATOM 0 H PHE A 77 -0.562 14.881 7.693 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.488 15.159 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.544 13.948 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.066 13.159 6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.009 13.085 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.441 11.165 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.589 11.065 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.021 9.144 5.232 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.591 9.120 2.831 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.955 13.016 6.999 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.180 12.265 7.216 1.00 0.00 C ATOM 1217 C GLN A 78 -5.396 13.189 7.113 1.00 0.00 C ATOM 1218 O GLN A 78 -6.452 12.779 6.636 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.151 11.544 8.566 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.908 12.532 9.709 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.556 11.797 11.003 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.409 11.493 11.282 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.606 11.530 11.776 1.00 0.00 N ATOM 0 H GLN A 78 -2.251 12.902 7.728 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.259 11.506 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.095 11.023 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.367 10.787 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.099 13.212 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.799 13.141 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.541 11.813 11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.476 11.042 12.662 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.204 14.417 7.568 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.271 15.404 7.533 1.00 0.00 C ATOM 1234 C LYS A 79 -6.505 15.845 6.088 1.00 0.00 C ATOM 1235 O LYS A 79 -7.645 16.037 5.670 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.965 16.560 8.487 1.00 0.00 C ATOM 1237 CG LYS A 79 -7.254 17.176 9.032 1.00 0.00 C ATOM 1238 CD LYS A 79 -7.307 17.078 10.558 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.814 18.383 11.175 1.00 0.00 C ATOM 1240 NZ LYS A 79 -8.148 18.186 12.604 1.00 0.00 N ATOM 0 H LYS A 79 -4.326 14.752 7.963 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.204 14.967 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.351 16.202 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.385 17.322 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.318 18.221 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.115 16.666 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.960 16.256 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.314 16.850 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.054 19.158 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.695 18.730 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.490 19.081 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.889 17.461 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.299 17.876 13.119 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.405 15.994 5.362 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.476 16.409 3.972 1.00 0.00 C ATOM 1255 C TRP A 80 -6.194 15.310 3.186 1.00 0.00 C ATOM 1256 O TRP A 80 -7.177 15.574 2.496 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.085 16.725 3.423 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.052 16.977 1.915 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.092 17.144 1.084 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -2.877 17.088 1.085 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.672 17.352 -0.214 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.283 17.317 -0.214 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -1.515 16.997 1.423 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -2.390 17.473 -1.280 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -0.634 17.156 0.344 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -1.027 17.387 -0.969 1.00 0.00 C ATOM 0 H TRP A 80 -4.460 15.834 5.712 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.044 17.334 3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.695 17.604 3.936 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.417 15.896 3.657 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.127 17.119 1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.272 17.504 -1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.175 16.819 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.733 17.650 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 0.425 17.095 0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.285 17.500 -1.746 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.342 4.087 1.858 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.377 2.705 1.412 1.00 0.00 C ATOM 1385 C LYS A 88 -12.028 2.340 0.791 1.00 0.00 C ATOM 1386 O LYS A 88 -11.894 1.294 0.157 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.566 2.475 0.477 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.848 2.220 1.272 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.649 1.065 0.666 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.921 1.578 -0.010 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.807 2.235 0.978 1.00 0.00 N ATOM 0 HA LYS A 88 -13.531 2.035 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.700 3.344 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.362 1.625 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.598 1.990 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.458 3.123 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.035 0.534 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.910 0.350 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.661 2.284 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.447 0.749 -0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.799 2.108 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.659 1.809 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.586 3.250 1.021 1.00 0.00 H new ATOM 1404 N LEU A 89 -11.059 3.221 0.997 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.724 3.003 0.466 1.00 0.00 C ATOM 1406 C LEU A 89 -8.747 2.798 1.624 1.00 0.00 C ATOM 1407 O LEU A 89 -8.748 3.566 2.585 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.330 4.143 -0.476 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.859 4.560 -0.445 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.984 3.538 -1.172 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.678 5.973 -1.006 1.00 0.00 C ATOM 0 H LEU A 89 -11.172 4.087 1.524 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.698 2.096 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.583 3.850 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.939 5.014 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.532 4.582 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.943 3.859 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.082 2.566 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.303 3.460 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.623 6.245 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.028 6.002 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.254 6.679 -0.407 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.913 1.731 1.492 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.932 1.415 2.516 1.00 0.00 C ATOM 1425 C PRO A 90 -5.752 2.388 2.464 1.00 0.00 C ATOM 1426 O PRO A 90 -5.143 2.574 1.410 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.528 -0.024 2.243 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.944 -0.309 0.810 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.884 0.801 0.367 1.00 0.00 C ATOM 0 HA PRO A 90 -7.330 1.518 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.454 -0.159 2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.021 -0.706 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.070 -0.351 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.439 -1.278 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.524 1.287 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.879 0.414 0.147 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.465 2.983 3.611 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.368 3.931 3.709 1.00 0.00 C ATOM 1439 C VAL A 91 -3.595 3.679 5.006 1.00 0.00 C ATOM 1440 O VAL A 91 -4.169 3.721 6.093 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.901 5.361 3.600 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.938 6.358 4.247 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.178 5.733 2.142 1.00 0.00 C ATOM 0 H VAL A 91 -5.973 2.827 4.482 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.670 3.794 2.883 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.845 5.408 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.342 7.366 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.814 6.112 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.971 6.307 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.556 6.754 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.256 5.659 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.920 5.051 1.727 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.306 3.421 4.847 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.449 3.162 5.992 1.00 0.00 C ATOM 1455 C VAL A 92 -0.383 4.255 6.083 1.00 0.00 C ATOM 1456 O VAL A 92 0.234 4.612 5.079 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.856 1.756 5.893 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.076 1.399 7.161 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.945 0.719 5.611 1.00 0.00 C ATOM 0 H VAL A 92 -1.834 3.386 3.944 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.026 3.193 6.916 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.159 1.746 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.335 0.394 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.737 2.112 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.744 1.437 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.496 -0.272 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.678 0.732 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.438 0.957 4.669 1.00 0.00 H new ATOM 1469 N THR A 93 -0.196 4.758 7.295 1.00 0.00 N ATOM 1470 CA THR A 93 0.784 5.803 7.530 1.00 0.00 C ATOM 1471 C THR A 93 1.851 5.321 8.515 1.00 0.00 C ATOM 1472 O THR A 93 1.541 4.997 9.661 1.00 0.00 O ATOM 1473 CB THR A 93 0.040 7.053 8.004 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.942 6.551 8.907 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.780 7.704 6.888 1.00 0.00 C ATOM 0 H THR A 93 -0.708 4.460 8.125 1.00 0.00 H new ATOM 0 HA THR A 93 1.320 6.055 6.615 1.00 0.00 H new ATOM 0 HB THR A 93 0.756 7.774 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.508 5.994 9.586 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.288 8.586 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.118 7.996 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.519 6.994 6.518 1.00 0.00 H new ATOM 1483 N ASP A 94 3.085 5.291 8.034 1.00 0.00 N ATOM 1484 CA ASP A 94 4.200 4.855 8.859 1.00 0.00 C ATOM 1485 C ASP A 94 5.154 6.029 9.082 1.00 0.00 C ATOM 1486 O ASP A 94 5.817 6.480 8.150 1.00 0.00 O ATOM 1487 CB ASP A 94 4.983 3.732 8.177 1.00 0.00 C ATOM 1488 CG ASP A 94 6.189 3.216 8.962 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.599 3.813 9.968 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.723 2.139 8.495 1.00 0.00 O ATOM 0 H ASP A 94 3.338 5.561 7.084 1.00 0.00 H new ATOM 0 HA ASP A 94 3.798 4.492 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.306 2.898 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.326 4.087 7.205 1.00 0.00 H new ATOM 1496 N ASN A 95 5.192 6.491 10.322 1.00 0.00 N ATOM 1497 CA ASN A 95 6.055 7.605 10.680 1.00 0.00 C ATOM 1498 C ASN A 95 7.506 7.245 10.356 1.00 0.00 C ATOM 1499 O ASN A 95 8.081 6.351 10.974 1.00 0.00 O ATOM 1500 CB ASN A 95 5.967 7.912 12.177 1.00 0.00 C ATOM 1501 CG ASN A 95 6.793 9.149 12.532 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.011 9.112 12.619 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.067 10.245 12.732 1.00 0.00 N ATOM 0 H ASN A 95 4.639 6.115 11.092 1.00 0.00 H new ATOM 0 HA ASN A 95 5.731 8.478 10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.926 8.072 12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.324 7.056 12.749 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.526 11.123 12.974 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.052 10.207 12.643 1.00 0.00 H new ATOM 1510 N GLY A 96 8.057 7.961 9.386 1.00 0.00 N ATOM 1511 CA GLY A 96 9.429 7.728 8.971 1.00 0.00 C ATOM 1512 C GLY A 96 9.502 6.639 7.898 1.00 0.00 C ATOM 1513 O GLY A 96 10.489 6.543 7.171 1.00 0.00 O ATOM 0 H GLY A 96 7.577 8.703 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.858 8.653 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.028 7.435 9.833 1.00 0.00 H new ATOM 1517 N GLY A 97 8.443 5.844 7.836 1.00 0.00 N ATOM 1518 CA GLY A 97 8.374 4.766 6.864 1.00 0.00 C ATOM 1519 C GLY A 97 9.462 3.723 7.125 1.00 0.00 C ATOM 1520 O GLY A 97 10.424 3.620 6.365 1.00 0.00 O ATOM 0 H GLY A 97 7.627 5.925 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.393 4.293 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.487 5.171 5.858 1.00 0.00 H new ATOM 1524 N THR A 98 9.273 2.974 8.202 1.00 0.00 N ATOM 1525 CA THR A 98 10.228 1.942 8.572 1.00 0.00 C ATOM 1526 C THR A 98 10.317 0.880 7.475 1.00 0.00 C ATOM 1527 O THR A 98 11.395 0.351 7.204 1.00 0.00 O ATOM 1528 CB THR A 98 9.809 1.379 9.932 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.271 2.350 10.868 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.580 0.110 10.303 1.00 0.00 C ATOM 0 H THR A 98 8.474 3.061 8.830 1.00 0.00 H new ATOM 0 HA THR A 98 11.235 2.349 8.668 1.00 0.00 H new ATOM 0 HB THR A 98 8.740 1.166 9.922 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.039 2.065 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.245 -0.248 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.399 -0.659 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.646 0.332 10.346 1.00 0.00 H new ATOM 1538 N ILE A 99 9.170 0.599 6.874 1.00 0.00 N ATOM 1539 CA ILE A 99 9.105 -0.391 5.812 1.00 0.00 C ATOM 1540 C ILE A 99 9.712 0.195 4.536 1.00 0.00 C ATOM 1541 O ILE A 99 10.387 -0.508 3.785 1.00 0.00 O ATOM 1542 CB ILE A 99 7.671 -0.894 5.636 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.158 -1.547 6.921 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.563 -1.834 4.434 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.891 -0.848 7.421 1.00 0.00 C ATOM 0 H ILE A 99 8.279 1.039 7.102 1.00 0.00 H new ATOM 0 HA ILE A 99 9.697 -1.269 6.073 1.00 0.00 H new ATOM 0 HB ILE A 99 7.031 -0.036 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.949 -2.601 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.930 -1.503 7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.533 -2.177 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.860 -1.304 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.218 -2.692 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.546 -1.331 8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.110 0.200 7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.114 -0.915 6.660 1.00 0.00 H new ATOM 1557 N ALA A 100 9.451 1.477 4.329 1.00 0.00 N ATOM 1558 CA ALA A 100 9.964 2.166 3.156 1.00 0.00 C ATOM 1559 C ALA A 100 11.478 2.339 3.295 1.00 0.00 C ATOM 1560 O ALA A 100 12.210 2.240 2.311 1.00 0.00 O ATOM 1561 CB ALA A 100 9.236 3.502 2.990 1.00 0.00 C ATOM 0 H ALA A 100 8.891 2.057 4.953 1.00 0.00 H new ATOM 0 HA ALA A 100 9.780 1.581 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.620 4.019 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.168 3.322 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.400 4.118 3.874 1.00 0.00 H new ATOM 1567 N GLN A 101 11.902 2.599 4.523 1.00 0.00 N ATOM 1568 CA GLN A 101 13.316 2.788 4.801 1.00 0.00 C ATOM 1569 C GLN A 101 14.023 1.435 4.900 1.00 0.00 C ATOM 1570 O GLN A 101 15.180 1.306 4.504 1.00 0.00 O ATOM 1571 CB GLN A 101 13.518 3.608 6.078 1.00 0.00 C ATOM 1572 CG GLN A 101 13.792 5.076 5.748 1.00 0.00 C ATOM 1573 CD GLN A 101 15.069 5.562 6.435 1.00 0.00 C ATOM 1574 OE1 GLN A 101 15.805 4.804 7.044 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.290 6.868 6.306 1.00 0.00 N ATOM 0 H GLN A 101 11.292 2.683 5.336 1.00 0.00 H new ATOM 0 HA GLN A 101 13.758 3.347 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.631 3.532 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.351 3.198 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.886 5.199 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.948 5.688 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.633 7.447 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.116 7.290 6.731 1.00 0.00 H new ATOM 1584 N SER A 102 13.298 0.462 5.433 1.00 0.00 N ATOM 1585 CA SER A 102 13.842 -0.876 5.590 1.00 0.00 C ATOM 1586 C SER A 102 14.153 -1.478 4.218 1.00 0.00 C ATOM 1587 O SER A 102 15.164 -2.157 4.050 1.00 0.00 O ATOM 1588 CB SER A 102 12.873 -1.778 6.358 1.00 0.00 C ATOM 1589 OG SER A 102 13.341 -3.121 6.433 1.00 0.00 O ATOM 0 H SER A 102 12.339 0.574 5.761 1.00 0.00 H new ATOM 0 HA SER A 102 14.764 -0.805 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.733 -1.386 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.898 -1.760 5.871 1.00 0.00 H new ATOM 0 HG SER A 102 12.696 -3.665 6.932 1.00 0.00 H new ATOM 1595 N LEU A 103 13.264 -1.208 3.272 1.00 0.00 N ATOM 1596 CA LEU A 103 13.430 -1.714 1.921 1.00 0.00 C ATOM 1597 C LEU A 103 14.249 -0.714 1.103 1.00 0.00 C ATOM 1598 O LEU A 103 14.535 -0.952 -0.069 1.00 0.00 O ATOM 1599 CB LEU A 103 12.071 -2.049 1.303 1.00 0.00 C ATOM 1600 CG LEU A 103 11.365 -3.285 1.864 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.889 -3.302 1.462 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.088 -4.567 1.449 1.00 0.00 C ATOM 0 H LEU A 103 12.426 -0.645 3.416 1.00 0.00 H new ATOM 0 HA LEU A 103 13.988 -2.650 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.413 -1.189 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.206 -2.188 0.230 1.00 0.00 H new ATOM 0 HG LEU A 103 11.402 -3.235 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.410 -4.191 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.396 -2.411 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.808 -3.316 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.565 -5.430 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.106 -4.639 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.110 -4.547 1.828 1.00 0.00 H new ATOM 1614 N ASN A 104 14.603 0.385 1.755 1.00 0.00 N ATOM 1615 CA ASN A 104 15.382 1.423 1.101 1.00 0.00 C ATOM 1616 C ASN A 104 14.670 1.860 -0.179 1.00 0.00 C ATOM 1617 O ASN A 104 15.281 1.922 -1.245 1.00 0.00 O ATOM 1618 CB ASN A 104 16.772 0.910 0.719 1.00 0.00 C ATOM 1619 CG ASN A 104 17.572 1.988 -0.014 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.976 1.830 -1.155 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.777 3.088 0.702 1.00 0.00 N ATOM 0 H ASN A 104 14.365 0.579 2.728 1.00 0.00 H new ATOM 0 HA ASN A 104 15.484 2.256 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.309 0.601 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.677 0.029 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.301 3.867 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.411 3.154 1.652 1.00 0.00 H new ATOM 1628 N ILE A 105 13.386 2.153 -0.034 1.00 0.00 N ATOM 1629 CA ILE A 105 12.583 2.584 -1.166 1.00 0.00 C ATOM 1630 C ILE A 105 12.770 4.088 -1.376 1.00 0.00 C ATOM 1631 O ILE A 105 13.521 4.506 -2.256 1.00 0.00 O ATOM 1632 CB ILE A 105 11.123 2.167 -0.977 1.00 0.00 C ATOM 1633 CG1 ILE A 105 11.022 0.699 -0.557 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.302 2.461 -2.235 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.562 0.272 -0.401 1.00 0.00 C ATOM 0 H ILE A 105 12.881 2.100 0.851 1.00 0.00 H new ATOM 0 HA ILE A 105 12.916 2.090 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 105 10.699 2.763 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.511 0.070 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.551 0.549 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.268 2.155 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.335 3.529 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.717 1.908 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.519 -0.775 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.083 0.887 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 105 9.042 0.400 -1.350 1.00 0.00 H new ATOM 1647 N SER A 106 12.076 4.859 -0.553 1.00 0.00 N ATOM 1648 CA SER A 106 12.156 6.308 -0.638 1.00 0.00 C ATOM 1649 C SER A 106 11.849 6.766 -2.066 1.00 0.00 C ATOM 1650 O SER A 106 12.388 7.770 -2.527 1.00 0.00 O ATOM 1651 CB SER A 106 13.535 6.809 -0.204 1.00 0.00 C ATOM 1652 OG SER A 106 14.587 6.121 -0.873 1.00 0.00 O ATOM 0 H SER A 106 11.455 4.508 0.176 1.00 0.00 H new ATOM 0 HA SER A 106 11.415 6.733 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.613 7.877 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.645 6.681 0.873 1.00 0.00 H new ATOM 0 HG SER A 106 14.267 5.799 -1.742 1.00 0.00 H new ATOM 1658 N VAL A 107 10.984 6.008 -2.722 1.00 0.00 N ATOM 1659 CA VAL A 107 10.600 6.324 -4.088 1.00 0.00 C ATOM 1660 C VAL A 107 9.156 5.873 -4.325 1.00 0.00 C ATOM 1661 O VAL A 107 8.792 4.748 -3.987 1.00 0.00 O ATOM 1662 CB VAL A 107 11.591 5.694 -5.071 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.685 4.183 -4.860 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.215 6.026 -6.516 1.00 0.00 C ATOM 0 H VAL A 107 10.538 5.177 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 107 10.637 7.401 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 107 12.575 6.120 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.395 3.760 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.022 3.978 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.705 3.732 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.935 5.567 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.218 5.641 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.224 7.107 -6.655 1.00 0.00 H new ATOM 1674 N TYR A 108 8.376 6.774 -4.901 1.00 0.00 N ATOM 1675 CA TYR A 108 6.981 6.483 -5.186 1.00 0.00 C ATOM 1676 C TYR A 108 6.629 6.844 -6.630 1.00 0.00 C ATOM 1677 O TYR A 108 7.254 7.720 -7.225 1.00 0.00 O ATOM 1678 CB TYR A 108 6.164 7.365 -4.239 1.00 0.00 C ATOM 1679 CG TYR A 108 6.510 7.178 -2.761 1.00 0.00 C ATOM 1680 CD1 TYR A 108 6.868 5.932 -2.288 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.465 8.256 -1.899 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.193 5.757 -0.896 1.00 0.00 C ATOM 1683 CE2 TYR A 108 6.790 8.080 -0.509 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.138 6.839 -0.076 1.00 0.00 C ATOM 1685 OH TYR A 108 7.446 6.673 1.239 1.00 0.00 O ATOM 0 H TYR A 108 8.683 7.706 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 108 6.776 5.421 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.318 8.410 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.105 7.152 -4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.904 5.088 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.186 9.232 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.474 4.787 -0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.758 8.915 0.175 1.00 0.00 H new ATOM 0 HH TYR A 108 8.314 7.088 1.427 1.00 0.00 H new ATOM 1695 N PRO A 109 5.603 6.131 -7.168 1.00 0.00 N ATOM 1696 CA PRO A 109 4.916 5.111 -6.396 1.00 0.00 C ATOM 1697 C PRO A 109 5.772 3.849 -6.270 1.00 0.00 C ATOM 1698 O PRO A 109 6.829 3.747 -6.892 1.00 0.00 O ATOM 1699 CB PRO A 109 3.609 4.871 -7.134 1.00 0.00 C ATOM 1700 CG PRO A 109 3.817 5.420 -8.536 1.00 0.00 C ATOM 1701 CD PRO A 109 5.072 6.277 -8.520 1.00 0.00 C ATOM 0 HA PRO A 109 4.726 5.419 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.365 3.809 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.781 5.375 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.920 4.606 -9.253 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.955 6.011 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.791 5.940 -9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.843 7.319 -8.745 1.00 0.00 H new ATOM 1709 N SER A 110 5.284 2.920 -5.460 1.00 0.00 N ATOM 1710 CA SER A 110 5.993 1.668 -5.245 1.00 0.00 C ATOM 1711 C SER A 110 5.020 0.597 -4.745 1.00 0.00 C ATOM 1712 O SER A 110 4.042 0.909 -4.069 1.00 0.00 O ATOM 1713 CB SER A 110 7.140 1.849 -4.250 1.00 0.00 C ATOM 1714 OG SER A 110 8.297 2.411 -4.865 1.00 0.00 O ATOM 0 H SER A 110 4.408 3.008 -4.945 1.00 0.00 H new ATOM 0 HA SER A 110 6.420 1.348 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.814 2.494 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.395 0.884 -3.811 1.00 0.00 H new ATOM 0 HG SER A 110 8.455 3.309 -4.505 1.00 0.00 H new ATOM 1720 N TRP A 111 5.326 -0.642 -5.098 1.00 0.00 N ATOM 1721 CA TRP A 111 4.492 -1.762 -4.693 1.00 0.00 C ATOM 1722 C TRP A 111 5.371 -2.755 -3.931 1.00 0.00 C ATOM 1723 O TRP A 111 6.525 -2.971 -4.291 1.00 0.00 O ATOM 1724 CB TRP A 111 3.792 -2.388 -5.901 1.00 0.00 C ATOM 1725 CG TRP A 111 2.783 -1.463 -6.586 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.022 -0.523 -7.511 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.359 -1.428 -6.361 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.860 0.113 -7.896 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.815 -0.455 -7.175 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.554 -2.193 -5.499 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.553 -0.156 -7.207 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.811 -1.882 -5.543 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.372 -0.906 -6.356 1.00 0.00 C ATOM 0 H TRP A 111 6.139 -0.896 -5.659 1.00 0.00 H new ATOM 0 HA TRP A 111 3.692 -1.428 -4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.546 -2.689 -6.629 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.279 -3.295 -5.581 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.001 -0.293 -7.905 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.782 0.862 -8.583 1.00 0.00 H new ATOM 0 HE3 TRP A 111 0.956 -2.960 -4.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.954 0.611 -7.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.474 -2.441 -4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.437 -0.727 -6.331 1.00 0.00 H new ATOM 1744 N ALA A 112 4.789 -3.332 -2.889 1.00 0.00 N ATOM 1745 CA ALA A 112 5.504 -4.296 -2.072 1.00 0.00 C ATOM 1746 C ALA A 112 4.608 -5.512 -1.824 1.00 0.00 C ATOM 1747 O ALA A 112 3.415 -5.367 -1.564 1.00 0.00 O ATOM 1748 CB ALA A 112 5.954 -3.630 -0.771 1.00 0.00 C ATOM 0 H ALA A 112 3.830 -3.150 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 112 6.400 -4.645 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.491 -4.354 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.611 -2.791 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.082 -3.269 -0.226 1.00 0.00 H new ATOM 1754 N LEU A 113 5.219 -6.685 -1.913 1.00 0.00 N ATOM 1755 CA LEU A 113 4.493 -7.926 -1.702 1.00 0.00 C ATOM 1756 C LEU A 113 4.923 -8.543 -0.370 1.00 0.00 C ATOM 1757 O LEU A 113 6.115 -8.627 -0.077 1.00 0.00 O ATOM 1758 CB LEU A 113 4.670 -8.861 -2.900 1.00 0.00 C ATOM 1759 CG LEU A 113 4.091 -10.268 -2.742 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.564 -10.228 -2.662 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.582 -11.191 -3.861 1.00 0.00 C ATOM 0 H LEU A 113 6.209 -6.802 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 113 3.422 -7.734 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.209 -8.395 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.735 -8.949 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 113 4.451 -10.682 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.179 -11.242 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.260 -9.627 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.163 -9.786 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.156 -12.185 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.270 -10.791 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.670 -11.255 -3.829 1.00 0.00 H new ATOM 1773 N ILE A 114 3.929 -8.960 0.401 1.00 0.00 N ATOM 1774 CA ILE A 114 4.190 -9.567 1.695 1.00 0.00 C ATOM 1775 C ILE A 114 3.613 -10.985 1.714 1.00 0.00 C ATOM 1776 O ILE A 114 2.398 -11.164 1.625 1.00 0.00 O ATOM 1777 CB ILE A 114 3.668 -8.675 2.821 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.321 -7.292 2.773 1.00 0.00 C ATOM 1779 CG2 ILE A 114 3.850 -9.348 4.183 1.00 0.00 C ATOM 1780 CD1 ILE A 114 5.846 -7.403 2.844 1.00 0.00 C ATOM 0 H ILE A 114 2.942 -8.889 0.154 1.00 0.00 H new ATOM 0 HA ILE A 114 5.263 -9.657 1.864 1.00 0.00 H new ATOM 0 HB ILE A 114 2.598 -8.531 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.032 -6.781 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.958 -6.685 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.470 -8.692 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.301 -10.289 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.909 -9.543 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.285 -6.406 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.132 -7.892 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.208 -7.990 2.000 1.00 0.00 H new ATOM 1792 N GLY A 115 4.509 -11.954 1.829 1.00 0.00 N ATOM 1793 CA GLY A 115 4.103 -13.348 1.860 1.00 0.00 C ATOM 1794 C GLY A 115 2.873 -13.541 2.751 1.00 0.00 C ATOM 1795 O GLY A 115 2.508 -12.647 3.513 1.00 0.00 O ATOM 0 H GLY A 115 5.515 -11.801 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.881 -13.688 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.924 -13.962 2.230 1.00 0.00 H new ATOM 1799 N LYS A 116 2.269 -14.714 2.625 1.00 0.00 N ATOM 1800 CA LYS A 116 1.088 -15.035 3.408 1.00 0.00 C ATOM 1801 C LYS A 116 1.475 -15.148 4.884 1.00 0.00 C ATOM 1802 O LYS A 116 0.609 -15.226 5.753 1.00 0.00 O ATOM 1803 CB LYS A 116 0.402 -16.286 2.854 1.00 0.00 C ATOM 1804 CG LYS A 116 1.344 -17.490 2.895 1.00 0.00 C ATOM 1805 CD LYS A 116 1.203 -18.339 1.630 1.00 0.00 C ATOM 1806 CE LYS A 116 2.474 -18.269 0.779 1.00 0.00 C ATOM 1807 NZ LYS A 116 2.140 -17.926 -0.621 1.00 0.00 N ATOM 0 H LYS A 116 2.576 -15.453 1.993 1.00 0.00 H new ATOM 0 HA LYS A 116 0.351 -14.235 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.495 -16.501 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.081 -16.105 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.374 -17.147 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.124 -18.099 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.000 -19.375 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.351 -17.991 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.154 -17.523 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.994 -19.226 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.012 -17.882 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.509 -18.652 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.664 -17.002 -0.648 1.00 0.00 H new ATOM 1820 N ASP A 117 2.780 -15.153 5.121 1.00 0.00 N ATOM 1821 CA ASP A 117 3.292 -15.256 6.477 1.00 0.00 C ATOM 1822 C ASP A 117 3.356 -13.860 7.101 1.00 0.00 C ATOM 1823 O ASP A 117 3.365 -13.722 8.322 1.00 0.00 O ATOM 1824 CB ASP A 117 4.704 -15.845 6.489 1.00 0.00 C ATOM 1825 CG ASP A 117 4.781 -17.333 6.835 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.710 -18.199 5.951 1.00 0.00 O ATOM 1827 OD2 ASP A 117 4.923 -17.594 8.090 1.00 0.00 O ATOM 0 H ASP A 117 3.496 -15.087 4.398 1.00 0.00 H new ATOM 0 HA ASP A 117 2.625 -15.908 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.154 -15.692 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.307 -15.289 7.207 1.00 0.00 H new ATOM 1833 N GLY A 118 3.402 -12.861 6.231 1.00 0.00 N ATOM 1834 CA GLY A 118 3.465 -11.481 6.681 1.00 0.00 C ATOM 1835 C GLY A 118 4.900 -10.953 6.627 1.00 0.00 C ATOM 1836 O GLY A 118 5.278 -10.094 7.423 1.00 0.00 O ATOM 0 H GLY A 118 3.397 -12.980 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.822 -10.861 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.085 -11.409 7.700 1.00 0.00 H new ATOM 1840 N ASP A 119 5.658 -11.487 5.683 1.00 0.00 N ATOM 1841 CA ASP A 119 7.044 -11.080 5.515 1.00 0.00 C ATOM 1842 C ASP A 119 7.259 -10.599 4.079 1.00 0.00 C ATOM 1843 O ASP A 119 6.481 -10.932 3.186 1.00 0.00 O ATOM 1844 CB ASP A 119 7.996 -12.251 5.770 1.00 0.00 C ATOM 1845 CG ASP A 119 8.148 -13.227 4.602 1.00 0.00 C ATOM 1846 OD1 ASP A 119 8.931 -12.990 3.669 1.00 0.00 O ATOM 1847 OD2 ASP A 119 7.411 -14.284 4.676 1.00 0.00 O ATOM 0 H ASP A 119 5.340 -12.199 5.025 1.00 0.00 H new ATOM 0 HA ASP A 119 7.252 -10.284 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.979 -11.852 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.644 -12.803 6.641 1.00 0.00 H new ATOM 1853 N VAL A 120 8.320 -9.826 3.901 1.00 0.00 N ATOM 1854 CA VAL A 120 8.648 -9.296 2.588 1.00 0.00 C ATOM 1855 C VAL A 120 8.874 -10.456 1.617 1.00 0.00 C ATOM 1856 O VAL A 120 9.783 -11.262 1.808 1.00 0.00 O ATOM 1857 CB VAL A 120 9.851 -8.357 2.688 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.295 -7.886 1.302 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.544 -7.167 3.599 1.00 0.00 C ATOM 0 H VAL A 120 8.964 -9.554 4.644 1.00 0.00 H new ATOM 0 HA VAL A 120 7.821 -8.702 2.198 1.00 0.00 H new ATOM 0 HB VAL A 120 10.675 -8.915 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.152 -7.220 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.574 -8.748 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.476 -7.354 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.416 -6.515 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.698 -6.609 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.299 -7.527 4.598 1.00 0.00 H new ATOM 1869 N GLN A 121 8.031 -10.505 0.595 1.00 0.00 N ATOM 1870 CA GLN A 121 8.128 -11.552 -0.407 1.00 0.00 C ATOM 1871 C GLN A 121 8.811 -11.019 -1.669 1.00 0.00 C ATOM 1872 O GLN A 121 9.811 -11.577 -2.120 1.00 0.00 O ATOM 1873 CB GLN A 121 6.749 -12.130 -0.732 1.00 0.00 C ATOM 1874 CG GLN A 121 6.689 -13.625 -0.410 1.00 0.00 C ATOM 1875 CD GLN A 121 6.020 -14.404 -1.543 1.00 0.00 C ATOM 1876 OE1 GLN A 121 6.079 -14.036 -2.705 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.380 -15.498 -1.142 1.00 0.00 N ATOM 0 H GLN A 121 7.277 -9.835 0.440 1.00 0.00 H new ATOM 0 HA GLN A 121 8.738 -12.360 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 121 5.986 -11.601 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.525 -11.973 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.697 -14.006 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.137 -13.779 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.369 -15.749 -0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 121 4.900 -16.086 -1.823 1.00 0.00 H new ATOM 1886 N ARG A 122 8.245 -9.948 -2.202 1.00 0.00 N ATOM 1887 CA ARG A 122 8.786 -9.333 -3.403 1.00 0.00 C ATOM 1888 C ARG A 122 8.538 -7.824 -3.384 1.00 0.00 C ATOM 1889 O ARG A 122 7.486 -7.370 -2.938 1.00 0.00 O ATOM 1890 CB ARG A 122 8.155 -9.933 -4.660 1.00 0.00 C ATOM 1891 CG ARG A 122 9.130 -9.888 -5.839 1.00 0.00 C ATOM 1892 CD ARG A 122 8.854 -8.678 -6.733 1.00 0.00 C ATOM 1893 NE ARG A 122 9.140 -9.016 -8.145 1.00 0.00 N ATOM 1894 CZ ARG A 122 8.381 -9.843 -8.895 1.00 0.00 C ATOM 1895 NH1 ARG A 122 7.279 -10.423 -8.373 1.00 0.00 N ATOM 1896 NH2 ARG A 122 8.731 -10.075 -10.145 1.00 0.00 N ATOM 0 H ARG A 122 7.416 -9.489 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 122 9.858 -9.527 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.861 -10.964 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.248 -9.385 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.154 -9.844 -5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.042 -10.804 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.814 -8.368 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.471 -7.836 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 122 9.963 -8.598 -8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.015 -10.237 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.711 -11.047 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.564 -9.632 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.168 -10.697 -10.725 1.00 0.00 H new ATOM 1909 N ILE A 123 9.523 -7.089 -3.877 1.00 0.00 N ATOM 1910 CA ILE A 123 9.426 -5.640 -3.924 1.00 0.00 C ATOM 1911 C ILE A 123 9.389 -5.182 -5.383 1.00 0.00 C ATOM 1912 O ILE A 123 10.146 -5.684 -6.213 1.00 0.00 O ATOM 1913 CB ILE A 123 10.549 -5.000 -3.106 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.335 -3.491 -2.967 1.00 0.00 C ATOM 1915 CG2 ILE A 123 11.919 -5.332 -3.702 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.057 -2.947 -1.732 1.00 0.00 C ATOM 0 H ILE A 123 10.393 -7.470 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 123 8.497 -5.306 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 123 10.523 -5.423 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 123 10.701 -2.984 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.269 -3.276 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.700 -4.865 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.062 -6.413 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.972 -4.955 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.889 -1.873 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.671 -3.439 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.126 -3.142 -1.820 1.00 0.00 H new ATOM 1928 N VAL A 124 8.502 -4.236 -5.651 1.00 0.00 N ATOM 1929 CA VAL A 124 8.357 -3.705 -6.996 1.00 0.00 C ATOM 1930 C VAL A 124 8.590 -2.193 -6.969 1.00 0.00 C ATOM 1931 O VAL A 124 8.105 -1.502 -6.076 1.00 0.00 O ATOM 1932 CB VAL A 124 6.991 -4.089 -7.566 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.744 -3.401 -8.910 1.00 0.00 C ATOM 1934 CG2 VAL A 124 6.859 -5.609 -7.695 1.00 0.00 C ATOM 0 H VAL A 124 7.876 -3.823 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 124 9.104 -4.138 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 124 6.228 -3.744 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.766 -3.691 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.775 -2.320 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.515 -3.701 -9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.879 -5.856 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.635 -5.986 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.970 -6.068 -6.713 1.00 0.00 H new ATOM 1944 N LYS A 125 9.332 -1.723 -7.963 1.00 0.00 N ATOM 1945 CA LYS A 125 9.634 -0.306 -8.065 1.00 0.00 C ATOM 1946 C LYS A 125 8.962 0.265 -9.315 1.00 0.00 C ATOM 1947 O LYS A 125 9.239 -0.173 -10.429 1.00 0.00 O ATOM 1948 CB LYS A 125 11.147 -0.077 -8.023 1.00 0.00 C ATOM 1949 CG LYS A 125 11.817 -0.595 -9.295 1.00 0.00 C ATOM 1950 CD LYS A 125 13.256 -1.032 -9.018 1.00 0.00 C ATOM 1951 CE LYS A 125 14.087 -1.034 -10.304 1.00 0.00 C ATOM 1952 NZ LYS A 125 15.527 -0.897 -9.992 1.00 0.00 N ATOM 0 H LYS A 125 9.732 -2.299 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 125 9.228 0.233 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.354 0.987 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.570 -0.581 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.248 -1.435 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.810 0.184 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.710 -0.361 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.259 -2.029 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.915 -1.959 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.770 -0.216 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.075 -0.900 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.689 -0.002 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.830 -1.692 -9.394 1.00 0.00 H new ATOM 1965 N GLY A 126 8.090 1.237 -9.087 1.00 0.00 N ATOM 1966 CA GLY A 126 7.374 1.873 -10.180 1.00 0.00 C ATOM 1967 C GLY A 126 5.864 1.693 -10.025 1.00 0.00 C ATOM 1968 O GLY A 126 5.349 1.666 -8.909 1.00 0.00 O ATOM 0 H GLY A 126 7.863 1.599 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.616 2.935 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.699 1.447 -11.129 1.00 0.00 H new ATOM 1972 N SER A 127 5.193 1.576 -11.162 1.00 0.00 N ATOM 1973 CA SER A 127 3.751 1.401 -11.167 1.00 0.00 C ATOM 1974 C SER A 127 3.378 0.158 -11.977 1.00 0.00 C ATOM 1975 O SER A 127 4.176 -0.328 -12.777 1.00 0.00 O ATOM 1976 CB SER A 127 3.048 2.636 -11.734 1.00 0.00 C ATOM 1977 OG SER A 127 2.043 3.131 -10.852 1.00 0.00 O ATOM 0 H SER A 127 5.622 1.599 -12.087 1.00 0.00 H new ATOM 0 HA SER A 127 3.419 1.269 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.784 3.418 -11.921 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.597 2.387 -12.695 1.00 0.00 H new ATOM 0 HG SER A 127 1.619 3.920 -11.249 1.00 0.00 H new ATOM 1983 N ILE A 128 2.165 -0.319 -11.743 1.00 0.00 N ATOM 1984 CA ILE A 128 1.676 -1.496 -12.441 1.00 0.00 C ATOM 1985 C ILE A 128 0.231 -1.256 -12.888 1.00 0.00 C ATOM 1986 O ILE A 128 -0.410 -0.306 -12.440 1.00 0.00 O ATOM 1987 CB ILE A 128 1.851 -2.744 -11.574 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.240 -2.539 -10.187 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.323 -3.157 -11.498 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.969 -3.881 -9.503 1.00 0.00 C ATOM 0 H ILE A 128 1.506 0.088 -11.080 1.00 0.00 H new ATOM 0 HA ILE A 128 2.263 -1.676 -13.341 1.00 0.00 H new ATOM 0 HB ILE A 128 1.310 -3.565 -12.045 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.915 -1.944 -9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.310 -1.977 -10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.420 -4.047 -10.876 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.692 -3.373 -12.500 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.907 -2.345 -11.064 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.535 -3.706 -8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.274 -4.464 -10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.905 -4.430 -9.395 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.236 -2.132 -13.764 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.592 -2.026 -14.277 1.00 0.00 C ATOM 2004 C ASN A 129 -2.456 -3.120 -13.648 1.00 0.00 C ATOM 2005 O ASN A 129 -1.939 -4.030 -13.002 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.622 -2.214 -15.795 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.618 -3.281 -16.236 1.00 0.00 C ATOM 2008 OD1 ASN A 129 0.544 -3.267 -15.867 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -1.130 -4.204 -17.046 1.00 0.00 N ATOM 0 H ASN A 129 0.299 -2.918 -14.132 1.00 0.00 H new ATOM 0 HA ASN A 129 -1.971 -1.035 -14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.625 -2.502 -16.109 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.393 -1.269 -16.287 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -0.540 -4.959 -17.397 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -2.112 -4.157 -17.316 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.758 -2.995 -13.859 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.699 -3.963 -13.320 1.00 0.00 C ATOM 2018 C GLU A 130 -4.345 -5.371 -13.799 1.00 0.00 C ATOM 2019 O GLU A 130 -4.490 -6.339 -13.054 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.137 -3.599 -13.699 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.087 -4.766 -13.430 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.520 -4.271 -13.224 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -8.729 -3.217 -12.604 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.435 -5.022 -13.736 1.00 0.00 O ATOM 0 H GLU A 130 -4.184 -2.239 -14.395 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.629 -3.943 -12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.457 -2.726 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.181 -3.325 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.057 -5.464 -14.266 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.757 -5.312 -12.546 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.891 -5.442 -15.042 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.516 -6.717 -15.630 1.00 0.00 C ATOM 2034 C ALA A 131 -2.340 -7.308 -14.848 1.00 0.00 C ATOM 2035 O ALA A 131 -2.378 -8.471 -14.448 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.191 -6.520 -17.112 1.00 0.00 C ATOM 0 H ALA A 131 -3.774 -4.637 -15.658 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.342 -7.426 -15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.910 -7.476 -17.553 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.067 -6.126 -17.627 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.364 -5.817 -17.213 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.324 -6.479 -14.655 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.140 -6.906 -13.928 1.00 0.00 C ATOM 2044 C GLN A 132 -0.536 -7.536 -12.591 1.00 0.00 C ATOM 2045 O GLN A 132 -0.012 -8.584 -12.216 1.00 0.00 O ATOM 2046 CB GLN A 132 0.825 -5.738 -13.721 1.00 0.00 C ATOM 2047 CG GLN A 132 2.190 -6.037 -14.340 1.00 0.00 C ATOM 2048 CD GLN A 132 2.866 -4.753 -14.827 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.564 -3.657 -14.386 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.796 -4.949 -15.757 1.00 0.00 N ATOM 0 H GLN A 132 -1.296 -5.516 -14.989 1.00 0.00 H new ATOM 0 HA GLN A 132 0.376 -7.660 -14.522 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.409 -4.835 -14.168 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.941 -5.542 -12.655 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.826 -6.531 -13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 132 2.071 -6.728 -15.174 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.000 -5.894 -16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.305 -4.155 -16.145 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.455 -6.871 -11.908 1.00 0.00 N ATOM 2060 CA ALA A 133 -1.927 -7.351 -10.622 1.00 0.00 C ATOM 2061 C ALA A 133 -2.382 -8.806 -10.761 1.00 0.00 C ATOM 2062 O ALA A 133 -2.047 -9.648 -9.930 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.042 -6.438 -10.111 1.00 0.00 C ATOM 0 H ALA A 133 -1.886 -6.002 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.124 -7.325 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.395 -6.800 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.659 -5.423 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.868 -6.439 -10.823 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.140 -9.056 -11.819 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.646 -10.392 -12.078 1.00 0.00 C ATOM 2071 C LEU A 134 -2.471 -11.367 -12.180 1.00 0.00 C ATOM 2072 O LEU A 134 -2.467 -12.410 -11.528 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.552 -10.393 -13.311 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.670 -9.347 -13.322 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -6.636 -9.590 -14.484 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.394 -9.304 -11.975 1.00 0.00 C ATOM 0 H LEU A 134 -3.416 -8.355 -12.507 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.271 -10.729 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -3.931 -10.242 -14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.004 -11.380 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.219 -8.367 -13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.421 -8.834 -14.469 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.093 -9.531 -15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.084 -10.579 -14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.183 -8.553 -12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.831 -10.280 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.684 -9.048 -11.188 1.00 0.00 H new