USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 95 THR OG1 : rot 180:sc= -0.0252 USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -4.66! C(o=-8.7!,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -151:sc= -0.0763 (180deg=-0.785) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.15) USER MOD Single : A 23 MET CE :methyl -143:sc= -4.08 (180deg=-10!) USER MOD Single : A 25 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-4.5!) USER MOD Single : A 27 MET CE :methyl -174:sc= -3.78! (180deg=-3.82!) USER MOD Single : A 37 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.043) USER MOD Single : A 47 CYS SG : rot 89:sc= -6.92! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-4.6) USER MOD Single : A 68 SER OG : rot 180:sc= -0.803 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -179:sc= -6.65! USER MOD Single : A 82 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 83 THR OG1 : rot 98:sc= -0.0118 USER MOD Single : A 93 GLN : amide:sc= -2.25! C(o=-2.2!,f=-2.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -157:sc= 0.859 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.55 K(o=-2.6,f=-4.4!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.646 19.150 -32.411 1.00 0.00 N ATOM 2 CA GLY A 1 18.108 19.098 -33.786 1.00 0.00 C ATOM 3 C GLY A 1 18.406 17.685 -34.244 1.00 0.00 C ATOM 4 O GLY A 1 17.562 16.796 -34.129 1.00 0.00 O ATOM 0 H1 GLY A 1 17.456 20.137 -32.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.773 18.592 -32.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.377 18.758 -31.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.351 19.536 -34.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.007 19.707 -33.887 1.00 0.00 H new ATOM 8 N SER A 2 19.610 17.475 -34.768 1.00 0.00 N ATOM 9 CA SER A 2 20.015 16.160 -35.250 1.00 0.00 C ATOM 10 C SER A 2 20.757 15.388 -34.164 1.00 0.00 C ATOM 11 O SER A 2 20.476 14.215 -33.918 1.00 0.00 O ATOM 12 CB SER A 2 20.903 16.300 -36.489 1.00 0.00 C ATOM 13 OG SER A 2 20.809 15.152 -37.315 1.00 0.00 O ATOM 0 H SER A 2 20.321 18.199 -34.869 1.00 0.00 H new ATOM 0 HA SER A 2 19.116 15.605 -35.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.608 17.184 -37.054 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.939 16.448 -36.183 1.00 0.00 H new ATOM 0 HG SER A 2 21.384 15.266 -38.101 1.00 0.00 H new ATOM 19 N SER A 3 21.707 16.055 -33.516 1.00 0.00 N ATOM 20 CA SER A 3 22.493 15.431 -32.458 1.00 0.00 C ATOM 21 C SER A 3 21.631 15.159 -31.229 1.00 0.00 C ATOM 22 O SER A 3 21.129 16.084 -30.592 1.00 0.00 O ATOM 23 CB SER A 3 23.676 16.325 -32.078 1.00 0.00 C ATOM 24 OG SER A 3 24.784 16.094 -32.931 1.00 0.00 O ATOM 0 H SER A 3 21.951 17.027 -33.705 1.00 0.00 H new ATOM 0 HA SER A 3 22.871 14.480 -32.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.379 17.372 -32.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.963 16.134 -31.044 1.00 0.00 H new ATOM 0 HG SER A 3 25.526 16.678 -32.669 1.00 0.00 H new ATOM 30 N GLY A 4 21.464 13.881 -30.902 1.00 0.00 N ATOM 31 CA GLY A 4 20.662 13.509 -29.751 1.00 0.00 C ATOM 32 C GLY A 4 21.433 12.663 -28.757 1.00 0.00 C ATOM 33 O GLY A 4 20.988 11.580 -28.377 1.00 0.00 O ATOM 0 H GLY A 4 21.870 13.097 -31.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.303 14.411 -29.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.783 12.959 -30.087 1.00 0.00 H new ATOM 37 N SER A 5 22.593 13.157 -28.335 1.00 0.00 N ATOM 38 CA SER A 5 23.430 12.436 -27.384 1.00 0.00 C ATOM 39 C SER A 5 22.774 12.394 -26.007 1.00 0.00 C ATOM 40 O SER A 5 22.675 13.412 -25.323 1.00 0.00 O ATOM 41 CB SER A 5 24.808 13.093 -27.285 1.00 0.00 C ATOM 42 OG SER A 5 25.606 12.777 -28.412 1.00 0.00 O ATOM 0 H SER A 5 22.974 14.054 -28.637 1.00 0.00 H new ATOM 0 HA SER A 5 23.548 11.414 -27.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.694 14.174 -27.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.309 12.760 -26.376 1.00 0.00 H new ATOM 0 HG SER A 5 26.481 13.210 -28.325 1.00 0.00 H new ATOM 48 N SER A 6 22.328 11.207 -25.607 1.00 0.00 N ATOM 49 CA SER A 6 21.678 11.031 -24.314 1.00 0.00 C ATOM 50 C SER A 6 22.697 11.095 -23.180 1.00 0.00 C ATOM 51 O SER A 6 22.591 11.929 -22.282 1.00 0.00 O ATOM 52 CB SER A 6 20.934 9.694 -24.271 1.00 0.00 C ATOM 53 OG SER A 6 20.303 9.502 -23.017 1.00 0.00 O ATOM 0 H SER A 6 22.405 10.353 -26.160 1.00 0.00 H new ATOM 0 HA SER A 6 20.962 11.842 -24.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.188 9.663 -25.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.633 8.879 -24.459 1.00 0.00 H new ATOM 0 HG SER A 6 19.833 8.642 -23.015 1.00 0.00 H new ATOM 59 N GLY A 7 23.686 10.207 -23.230 1.00 0.00 N ATOM 60 CA GLY A 7 24.710 10.179 -22.203 1.00 0.00 C ATOM 61 C GLY A 7 24.458 9.106 -21.162 1.00 0.00 C ATOM 62 O GLY A 7 23.503 8.338 -21.271 1.00 0.00 O ATOM 0 H GLY A 7 23.796 9.507 -23.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.681 10.009 -22.667 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.756 11.152 -21.714 1.00 0.00 H new ATOM 66 N GLY A 8 25.319 9.052 -20.150 1.00 0.00 N ATOM 67 CA GLY A 8 25.168 8.061 -19.101 1.00 0.00 C ATOM 68 C GLY A 8 23.788 8.085 -18.474 1.00 0.00 C ATOM 69 O GLY A 8 23.187 9.142 -18.286 1.00 0.00 O ATOM 0 H GLY A 8 26.118 9.677 -20.038 1.00 0.00 H new ATOM 0 HA2 GLY A 8 25.360 7.070 -19.512 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.917 8.237 -18.329 1.00 0.00 H new ATOM 73 N PRO A 9 23.265 6.896 -18.139 1.00 0.00 N ATOM 74 CA PRO A 9 21.941 6.758 -17.526 1.00 0.00 C ATOM 75 C PRO A 9 21.907 7.285 -16.095 1.00 0.00 C ATOM 76 O PRO A 9 22.395 6.633 -15.172 1.00 0.00 O ATOM 77 CB PRO A 9 21.697 5.247 -17.545 1.00 0.00 C ATOM 78 CG PRO A 9 23.059 4.643 -17.557 1.00 0.00 C ATOM 79 CD PRO A 9 23.926 5.594 -18.334 1.00 0.00 C ATOM 0 HA PRO A 9 21.183 7.333 -18.059 1.00 0.00 H new ATOM 0 HB2 PRO A 9 21.130 4.927 -16.671 1.00 0.00 H new ATOM 0 HB3 PRO A 9 21.124 4.950 -18.423 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.436 4.511 -16.543 1.00 0.00 H new ATOM 0 HG3 PRO A 9 23.045 3.658 -18.023 1.00 0.00 H new ATOM 0 HD2 PRO A 9 24.949 5.603 -17.959 1.00 0.00 H new ATOM 0 HD3 PRO A 9 23.975 5.322 -19.388 1.00 0.00 H new ATOM 87 N SER A 10 21.328 8.468 -15.919 1.00 0.00 N ATOM 88 CA SER A 10 21.234 9.084 -14.601 1.00 0.00 C ATOM 89 C SER A 10 20.958 8.034 -13.529 1.00 0.00 C ATOM 90 O SER A 10 20.242 7.061 -13.768 1.00 0.00 O ATOM 91 CB SER A 10 20.131 10.145 -14.588 1.00 0.00 C ATOM 92 OG SER A 10 20.226 10.965 -13.437 1.00 0.00 O ATOM 0 H SER A 10 20.917 9.019 -16.672 1.00 0.00 H new ATOM 0 HA SER A 10 22.189 9.560 -14.381 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.204 10.761 -15.484 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.155 9.660 -14.613 1.00 0.00 H new ATOM 0 HG SER A 10 19.512 11.636 -13.453 1.00 0.00 H new ATOM 98 N ARG A 11 21.531 8.239 -12.348 1.00 0.00 N ATOM 99 CA ARG A 11 21.349 7.310 -11.239 1.00 0.00 C ATOM 100 C ARG A 11 19.913 7.354 -10.723 1.00 0.00 C ATOM 101 O ARG A 11 19.118 8.194 -11.143 1.00 0.00 O ATOM 102 CB ARG A 11 22.320 7.640 -10.104 1.00 0.00 C ATOM 103 CG ARG A 11 23.762 7.268 -10.410 1.00 0.00 C ATOM 104 CD ARG A 11 24.473 8.376 -11.173 1.00 0.00 C ATOM 105 NE ARG A 11 25.890 8.082 -11.370 1.00 0.00 N ATOM 106 CZ ARG A 11 26.731 8.903 -11.989 1.00 0.00 C ATOM 107 NH1 ARG A 11 26.300 10.061 -12.469 1.00 0.00 N ATOM 108 NH2 ARG A 11 28.007 8.566 -12.129 1.00 0.00 N ATOM 0 H ARG A 11 22.125 9.040 -12.134 1.00 0.00 H new ATOM 0 HA ARG A 11 21.556 6.304 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.266 8.707 -9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.002 7.118 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.293 7.067 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.786 6.349 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.993 8.515 -12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.370 9.315 -10.629 1.00 0.00 H new ATOM 0 HE ARG A 11 26.254 7.198 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.320 10.324 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.948 10.689 -12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 11 28.343 7.676 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.652 9.197 -12.604 1.00 0.00 H new ATOM 122 N MET A 12 19.590 6.444 -9.810 1.00 0.00 N ATOM 123 CA MET A 12 18.251 6.381 -9.236 1.00 0.00 C ATOM 124 C MET A 12 18.181 7.163 -7.929 1.00 0.00 C ATOM 125 O MET A 12 18.940 6.900 -6.996 1.00 0.00 O ATOM 126 CB MET A 12 17.845 4.925 -8.995 1.00 0.00 C ATOM 127 CG MET A 12 17.648 4.129 -10.275 1.00 0.00 C ATOM 128 SD MET A 12 16.550 4.953 -11.444 1.00 0.00 S ATOM 129 CE MET A 12 15.105 5.221 -10.421 1.00 0.00 C ATOM 0 H MET A 12 20.236 5.741 -9.452 1.00 0.00 H new ATOM 0 HA MET A 12 17.557 6.832 -9.945 1.00 0.00 H new ATOM 0 HB2 MET A 12 18.609 4.439 -8.389 1.00 0.00 H new ATOM 0 HB3 MET A 12 16.920 4.905 -8.418 1.00 0.00 H new ATOM 0 HG2 MET A 12 18.616 3.963 -10.747 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.241 3.148 -10.029 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.212 5.226 -11.046 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.028 4.422 -9.684 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.194 6.179 -9.909 1.00 0.00 H new ATOM 139 N ARG A 13 17.268 8.127 -7.869 1.00 0.00 N ATOM 140 CA ARG A 13 17.101 8.949 -6.676 1.00 0.00 C ATOM 141 C ARG A 13 15.859 8.529 -5.896 1.00 0.00 C ATOM 142 O ARG A 13 14.757 9.015 -6.153 1.00 0.00 O ATOM 143 CB ARG A 13 17.001 10.426 -7.059 1.00 0.00 C ATOM 144 CG ARG A 13 18.349 11.084 -7.308 1.00 0.00 C ATOM 145 CD ARG A 13 18.223 12.597 -7.395 1.00 0.00 C ATOM 146 NE ARG A 13 19.451 13.273 -6.986 1.00 0.00 N ATOM 147 CZ ARG A 13 19.735 14.533 -7.296 1.00 0.00 C ATOM 148 NH1 ARG A 13 18.882 15.250 -8.015 1.00 0.00 N ATOM 149 NH2 ARG A 13 20.873 15.078 -6.887 1.00 0.00 N ATOM 0 H ARG A 13 16.632 8.358 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 13 17.974 8.804 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.390 10.519 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.485 10.964 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.037 10.821 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.777 10.700 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.976 12.882 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.399 12.929 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 13 20.128 12.749 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.006 14.834 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.102 16.217 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.531 14.529 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.090 16.046 -7.126 1.00 0.00 H new ATOM 163 N HIS A 14 16.045 7.623 -4.941 1.00 0.00 N ATOM 164 CA HIS A 14 14.939 7.137 -4.123 1.00 0.00 C ATOM 165 C HIS A 14 14.586 8.145 -3.033 1.00 0.00 C ATOM 166 O HIS A 14 14.427 7.783 -1.868 1.00 0.00 O ATOM 167 CB HIS A 14 15.296 5.791 -3.492 1.00 0.00 C ATOM 168 CG HIS A 14 15.723 4.757 -4.488 1.00 0.00 C ATOM 169 ND1 HIS A 14 14.830 3.972 -5.187 1.00 0.00 N ATOM 170 CD2 HIS A 14 16.955 4.383 -4.903 1.00 0.00 C ATOM 171 CE1 HIS A 14 15.495 3.158 -5.987 1.00 0.00 C ATOM 172 NE2 HIS A 14 16.787 3.387 -5.834 1.00 0.00 N ATOM 0 H HIS A 14 16.950 7.211 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 14 14.071 7.008 -4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 14 16.098 5.939 -2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.433 5.418 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.896 4.792 -4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.057 2.429 -6.653 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.538 2.903 -6.327 1.00 0.00 H new ATOM 180 N GLU A 15 14.467 9.411 -3.421 1.00 0.00 N ATOM 181 CA GLU A 15 14.135 10.471 -2.476 1.00 0.00 C ATOM 182 C GLU A 15 12.633 10.743 -2.469 1.00 0.00 C ATOM 183 O GLU A 15 11.997 10.750 -1.415 1.00 0.00 O ATOM 184 CB GLU A 15 14.895 11.752 -2.824 1.00 0.00 C ATOM 185 CG GLU A 15 14.736 12.854 -1.790 1.00 0.00 C ATOM 186 CD GLU A 15 15.288 12.465 -0.432 1.00 0.00 C ATOM 187 OE1 GLU A 15 14.585 11.749 0.310 1.00 0.00 O ATOM 188 OE2 GLU A 15 16.423 12.876 -0.113 1.00 0.00 O ATOM 0 H GLU A 15 14.595 9.727 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 15 14.432 10.141 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.954 11.518 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.548 12.119 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.244 13.752 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.680 13.104 -1.691 1.00 0.00 H new ATOM 195 N ARG A 16 12.074 10.967 -3.654 1.00 0.00 N ATOM 196 CA ARG A 16 10.648 11.242 -3.785 1.00 0.00 C ATOM 197 C ARG A 16 9.819 10.119 -3.169 1.00 0.00 C ATOM 198 O ARG A 16 9.589 9.086 -3.797 1.00 0.00 O ATOM 199 CB ARG A 16 10.274 11.417 -5.258 1.00 0.00 C ATOM 200 CG ARG A 16 11.087 12.486 -5.970 1.00 0.00 C ATOM 201 CD ARG A 16 10.721 13.880 -5.485 1.00 0.00 C ATOM 202 NE ARG A 16 11.823 14.823 -5.649 1.00 0.00 N ATOM 203 CZ ARG A 16 11.750 16.105 -5.310 1.00 0.00 C ATOM 204 NH1 ARG A 16 10.633 16.594 -4.789 1.00 0.00 N ATOM 205 NH2 ARG A 16 12.796 16.902 -5.490 1.00 0.00 N ATOM 0 H ARG A 16 12.586 10.963 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 16 10.431 12.166 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.409 10.466 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.216 11.670 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.149 12.309 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.918 12.418 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.852 14.239 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.436 13.835 -4.434 1.00 0.00 H new ATOM 0 HE ARG A 16 12.697 14.478 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.827 15.985 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.580 17.579 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.658 16.530 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.738 17.886 -5.229 1.00 0.00 H new ATOM 219 N VAL A 17 9.372 10.329 -1.934 1.00 0.00 N ATOM 220 CA VAL A 17 8.568 9.336 -1.232 1.00 0.00 C ATOM 221 C VAL A 17 7.485 10.001 -0.390 1.00 0.00 C ATOM 222 O VAL A 17 7.769 10.875 0.428 1.00 0.00 O ATOM 223 CB VAL A 17 9.440 8.450 -0.322 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.574 7.472 0.458 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.486 7.711 -1.142 1.00 0.00 C ATOM 0 H VAL A 17 9.554 11.179 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 17 8.100 8.712 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 17 9.958 9.091 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.207 6.854 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.866 8.025 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.028 6.835 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.093 7.090 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.991 7.080 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.125 8.432 -1.651 1.00 0.00 H new ATOM 235 N VAL A 18 6.241 9.580 -0.596 1.00 0.00 N ATOM 236 CA VAL A 18 5.114 10.133 0.145 1.00 0.00 C ATOM 237 C VAL A 18 4.712 9.218 1.297 1.00 0.00 C ATOM 238 O VAL A 18 4.902 8.003 1.233 1.00 0.00 O ATOM 239 CB VAL A 18 3.895 10.354 -0.770 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.315 11.034 -2.064 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.196 9.034 -1.054 1.00 0.00 C ATOM 0 H VAL A 18 5.988 8.857 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 18 5.438 11.094 0.544 1.00 0.00 H new ATOM 0 HB VAL A 18 3.191 11.008 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.441 11.182 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.767 12.000 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.039 10.408 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.337 9.209 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.890 8.354 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.859 8.592 -0.117 1.00 0.00 H new ATOM 251 N ILE A 19 4.156 9.810 2.349 1.00 0.00 N ATOM 252 CA ILE A 19 3.726 9.049 3.514 1.00 0.00 C ATOM 253 C ILE A 19 2.208 9.077 3.660 1.00 0.00 C ATOM 254 O ILE A 19 1.556 10.051 3.281 1.00 0.00 O ATOM 255 CB ILE A 19 4.364 9.589 4.807 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.869 9.789 4.614 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.095 8.643 5.967 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.578 8.564 4.081 1.00 0.00 C ATOM 0 H ILE A 19 3.993 10.815 2.418 1.00 0.00 H new ATOM 0 HA ILE A 19 4.055 8.022 3.358 1.00 0.00 H new ATOM 0 HB ILE A 19 3.915 10.554 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.032 10.620 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.315 10.071 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.553 9.039 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.020 8.546 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.520 7.664 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.641 8.779 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.446 7.736 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.159 8.294 3.112 1.00 0.00 H new ATOM 270 N ILE A 20 1.652 8.004 4.211 1.00 0.00 N ATOM 271 CA ILE A 20 0.211 7.907 4.410 1.00 0.00 C ATOM 272 C ILE A 20 -0.120 7.469 5.832 1.00 0.00 C ATOM 273 O ILE A 20 0.555 6.612 6.403 1.00 0.00 O ATOM 274 CB ILE A 20 -0.428 6.917 3.418 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.187 7.086 2.027 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.935 7.120 3.365 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.421 8.219 1.231 1.00 0.00 C ATOM 0 H ILE A 20 2.177 7.189 4.528 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.199 8.901 4.235 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.229 5.902 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.258 7.260 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.067 6.157 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.373 6.413 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.359 6.955 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.154 8.138 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.063 8.280 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.487 8.037 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.278 9.158 1.766 1.00 0.00 H new ATOM 289 N LYS A 21 -1.164 8.062 6.400 1.00 0.00 N ATOM 290 CA LYS A 21 -1.589 7.732 7.756 1.00 0.00 C ATOM 291 C LYS A 21 -3.051 7.299 7.778 1.00 0.00 C ATOM 292 O LYS A 21 -3.825 7.651 6.888 1.00 0.00 O ATOM 293 CB LYS A 21 -1.387 8.934 8.682 1.00 0.00 C ATOM 294 CG LYS A 21 -0.041 8.940 9.385 1.00 0.00 C ATOM 295 CD LYS A 21 1.102 9.116 8.400 1.00 0.00 C ATOM 296 CE LYS A 21 2.445 9.190 9.112 1.00 0.00 C ATOM 297 NZ LYS A 21 2.756 10.573 9.566 1.00 0.00 N ATOM 0 H LYS A 21 -1.732 8.775 5.942 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.978 6.902 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.488 9.851 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.179 8.942 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.017 9.745 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.089 8.006 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.108 8.284 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.946 10.025 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.438 8.519 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.231 8.842 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.679 10.582 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.788 11.209 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.019 10.896 10.226 1.00 0.00 H new ATOM 311 N ASN A 22 -3.422 6.536 8.800 1.00 0.00 N ATOM 312 CA ASN A 22 -4.793 6.057 8.938 1.00 0.00 C ATOM 313 C ASN A 22 -5.261 5.371 7.658 1.00 0.00 C ATOM 314 O ASN A 22 -6.348 5.651 7.154 1.00 0.00 O ATOM 315 CB ASN A 22 -5.729 7.217 9.280 1.00 0.00 C ATOM 316 CG ASN A 22 -6.901 6.781 10.138 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.719 6.184 11.200 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.112 7.077 9.681 1.00 0.00 N ATOM 0 H ASN A 22 -2.793 6.236 9.545 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.817 5.329 9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.168 7.991 9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.103 7.662 8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.938 6.808 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.216 7.573 8.796 1.00 0.00 H new ATOM 325 N MET A 23 -4.432 4.472 7.138 1.00 0.00 N ATOM 326 CA MET A 23 -4.761 3.745 5.917 1.00 0.00 C ATOM 327 C MET A 23 -4.928 2.255 6.200 1.00 0.00 C ATOM 328 O MET A 23 -5.685 1.565 5.518 1.00 0.00 O ATOM 329 CB MET A 23 -3.674 3.957 4.862 1.00 0.00 C ATOM 330 CG MET A 23 -2.269 3.685 5.375 1.00 0.00 C ATOM 331 SD MET A 23 -1.118 3.261 4.054 1.00 0.00 S ATOM 332 CE MET A 23 -1.990 1.909 3.265 1.00 0.00 C ATOM 0 H MET A 23 -3.528 4.229 7.543 1.00 0.00 H new ATOM 0 HA MET A 23 -5.706 4.133 5.537 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.874 3.306 4.011 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.727 4.983 4.498 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.902 4.565 5.903 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.302 2.870 6.099 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.273 1.156 2.938 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.687 1.463 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.540 2.285 2.403 1.00 0.00 H new ATOM 342 N PHE A 24 -4.217 1.766 7.210 1.00 0.00 N ATOM 343 CA PHE A 24 -4.285 0.357 7.582 1.00 0.00 C ATOM 344 C PHE A 24 -4.111 0.183 9.088 1.00 0.00 C ATOM 345 O PHE A 24 -4.012 1.161 9.830 1.00 0.00 O ATOM 346 CB PHE A 24 -3.213 -0.441 6.838 1.00 0.00 C ATOM 347 CG PHE A 24 -1.811 -0.076 7.233 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.256 -0.571 8.402 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.048 0.761 6.435 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.034 -0.236 8.769 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.243 1.099 6.796 1.00 0.00 C ATOM 352 CZ PHE A 24 0.785 0.599 7.964 1.00 0.00 C ATOM 0 H PHE A 24 -3.587 2.324 7.786 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.269 -0.020 7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.369 -1.504 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.333 -0.283 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.838 -1.226 9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.467 1.154 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.454 -0.627 9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.827 1.753 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.794 0.860 8.247 1.00 0.00 H new ATOM 362 N HIS A 25 -4.075 -1.069 9.533 1.00 0.00 N ATOM 363 CA HIS A 25 -3.913 -1.372 10.950 1.00 0.00 C ATOM 364 C HIS A 25 -3.226 -2.721 11.142 1.00 0.00 C ATOM 365 O HIS A 25 -3.480 -3.683 10.417 1.00 0.00 O ATOM 366 CB HIS A 25 -5.272 -1.374 11.652 1.00 0.00 C ATOM 367 CG HIS A 25 -5.198 -1.004 13.101 1.00 0.00 C ATOM 368 ND1 HIS A 25 -5.236 -1.934 14.118 1.00 0.00 N ATOM 369 CD2 HIS A 25 -5.086 0.204 13.701 1.00 0.00 C ATOM 370 CE1 HIS A 25 -5.153 -1.314 15.282 1.00 0.00 C ATOM 371 NE2 HIS A 25 -5.061 -0.016 15.057 1.00 0.00 N ATOM 0 H HIS A 25 -4.156 -1.890 8.933 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.286 -0.598 11.392 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.937 -0.677 11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.717 -2.365 11.561 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.027 1.162 13.206 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.159 -1.788 16.252 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.984 0.706 15.773 1.00 0.00 H new ATOM 379 N PRO A 26 -2.334 -2.795 12.141 1.00 0.00 N ATOM 380 CA PRO A 26 -1.592 -4.020 12.451 1.00 0.00 C ATOM 381 C PRO A 26 -2.487 -5.107 13.038 1.00 0.00 C ATOM 382 O PRO A 26 -2.494 -6.242 12.563 1.00 0.00 O ATOM 383 CB PRO A 26 -0.562 -3.559 13.485 1.00 0.00 C ATOM 384 CG PRO A 26 -1.174 -2.360 14.121 1.00 0.00 C ATOM 385 CD PRO A 26 -1.982 -1.687 13.046 1.00 0.00 C ATOM 0 HA PRO A 26 -1.151 -4.466 11.560 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.363 -4.339 14.220 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.390 -3.315 13.014 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.805 -2.644 14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.407 -1.690 14.510 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.870 -1.203 13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.406 -0.916 12.533 1.00 0.00 H new ATOM 393 N MET A 27 -3.241 -4.751 14.073 1.00 0.00 N ATOM 394 CA MET A 27 -4.140 -5.696 14.724 1.00 0.00 C ATOM 395 C MET A 27 -5.092 -6.326 13.712 1.00 0.00 C ATOM 396 O MET A 27 -5.703 -7.360 13.980 1.00 0.00 O ATOM 397 CB MET A 27 -4.939 -4.997 15.826 1.00 0.00 C ATOM 398 CG MET A 27 -4.248 -5.013 17.180 1.00 0.00 C ATOM 399 SD MET A 27 -2.787 -3.958 17.227 1.00 0.00 S ATOM 400 CE MET A 27 -1.538 -5.083 16.607 1.00 0.00 C ATOM 0 H MET A 27 -3.247 -3.815 14.479 1.00 0.00 H new ATOM 0 HA MET A 27 -3.535 -6.486 15.169 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.121 -3.963 15.532 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.913 -5.478 15.918 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.951 -4.687 17.946 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.961 -6.036 17.425 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.557 -4.612 16.676 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.545 -5.997 17.201 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.751 -5.325 15.566 1.00 0.00 H new ATOM 410 N ASP A 28 -5.213 -5.695 12.549 1.00 0.00 N ATOM 411 CA ASP A 28 -6.090 -6.194 11.496 1.00 0.00 C ATOM 412 C ASP A 28 -5.425 -7.332 10.728 1.00 0.00 C ATOM 413 O ASP A 28 -6.076 -8.308 10.357 1.00 0.00 O ATOM 414 CB ASP A 28 -6.464 -5.064 10.536 1.00 0.00 C ATOM 415 CG ASP A 28 -7.826 -5.268 9.903 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.314 -6.418 9.903 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.405 -4.278 9.409 1.00 0.00 O ATOM 0 H ASP A 28 -4.715 -4.837 12.312 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.997 -6.577 11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.455 -4.116 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.710 -4.992 9.752 1.00 0.00 H new ATOM 422 N PHE A 29 -4.124 -7.197 10.492 1.00 0.00 N ATOM 423 CA PHE A 29 -3.370 -8.213 9.766 1.00 0.00 C ATOM 424 C PHE A 29 -3.295 -9.510 10.566 1.00 0.00 C ATOM 425 O PHE A 29 -3.166 -10.594 9.999 1.00 0.00 O ATOM 426 CB PHE A 29 -1.959 -7.708 9.458 1.00 0.00 C ATOM 427 CG PHE A 29 -1.927 -6.302 8.933 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.794 -5.904 7.928 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.030 -5.377 9.443 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.766 -4.610 7.442 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.997 -4.082 8.962 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.867 -3.698 7.960 1.00 0.00 C ATOM 0 H PHE A 29 -3.570 -6.395 10.793 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.889 -8.415 8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.356 -7.763 10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.496 -8.371 8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.499 -6.613 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.348 -5.672 10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.446 -4.312 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.292 -3.372 9.369 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.844 -2.686 7.582 1.00 0.00 H new ATOM 442 N GLU A 30 -3.377 -9.389 11.888 1.00 0.00 N ATOM 443 CA GLU A 30 -3.316 -10.551 12.766 1.00 0.00 C ATOM 444 C GLU A 30 -4.533 -11.450 12.563 1.00 0.00 C ATOM 445 O GLU A 30 -4.458 -12.665 12.748 1.00 0.00 O ATOM 446 CB GLU A 30 -3.234 -10.110 14.229 1.00 0.00 C ATOM 447 CG GLU A 30 -2.012 -9.262 14.540 1.00 0.00 C ATOM 448 CD GLU A 30 -0.819 -10.094 14.971 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.035 -10.507 14.092 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.671 -10.331 16.189 1.00 0.00 O ATOM 0 H GLU A 30 -3.486 -8.498 12.373 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.420 -11.118 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.132 -9.545 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.224 -10.994 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.745 -8.680 13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.259 -8.551 15.329 1.00 0.00 H new ATOM 457 N ASP A 31 -5.652 -10.844 12.181 1.00 0.00 N ATOM 458 CA ASP A 31 -6.885 -11.588 11.952 1.00 0.00 C ATOM 459 C ASP A 31 -6.897 -12.202 10.556 1.00 0.00 C ATOM 460 O ASP A 31 -7.443 -13.286 10.348 1.00 0.00 O ATOM 461 CB ASP A 31 -8.098 -10.675 12.132 1.00 0.00 C ATOM 462 CG ASP A 31 -9.406 -11.441 12.121 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.396 -12.639 12.474 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.441 -10.842 11.759 1.00 0.00 O ATOM 0 H ASP A 31 -5.730 -9.839 12.023 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.936 -12.394 12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.005 -10.134 13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.110 -9.930 11.336 1.00 0.00 H new ATOM 469 N ASP A 32 -6.294 -11.502 9.602 1.00 0.00 N ATOM 470 CA ASP A 32 -6.236 -11.978 8.224 1.00 0.00 C ATOM 471 C ASP A 32 -5.221 -11.176 7.415 1.00 0.00 C ATOM 472 O ASP A 32 -5.111 -9.957 7.545 1.00 0.00 O ATOM 473 CB ASP A 32 -7.616 -11.885 7.571 1.00 0.00 C ATOM 474 CG ASP A 32 -8.426 -13.154 7.747 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.263 -14.081 6.926 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.223 -13.221 8.706 1.00 0.00 O ATOM 0 H ASP A 32 -5.838 -10.603 9.757 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.920 -13.021 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.163 -11.046 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.498 -11.677 6.508 1.00 0.00 H new ATOM 481 N PRO A 33 -4.461 -11.875 6.560 1.00 0.00 N ATOM 482 CA PRO A 33 -3.441 -11.249 5.713 1.00 0.00 C ATOM 483 C PRO A 33 -4.051 -10.383 4.616 1.00 0.00 C ATOM 484 O PRO A 33 -3.517 -9.327 4.275 1.00 0.00 O ATOM 485 CB PRO A 33 -2.704 -12.444 5.103 1.00 0.00 C ATOM 486 CG PRO A 33 -3.697 -13.554 5.127 1.00 0.00 C ATOM 487 CD PRO A 33 -4.538 -13.331 6.353 1.00 0.00 C ATOM 0 HA PRO A 33 -2.796 -10.578 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.375 -12.229 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.814 -12.696 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.311 -13.548 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.199 -14.523 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.566 -13.661 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.150 -13.880 7.211 1.00 0.00 H new ATOM 495 N LEU A 34 -5.172 -10.836 4.066 1.00 0.00 N ATOM 496 CA LEU A 34 -5.856 -10.101 3.007 1.00 0.00 C ATOM 497 C LEU A 34 -5.821 -8.600 3.275 1.00 0.00 C ATOM 498 O LEU A 34 -5.484 -7.809 2.395 1.00 0.00 O ATOM 499 CB LEU A 34 -7.305 -10.576 2.883 1.00 0.00 C ATOM 500 CG LEU A 34 -7.520 -11.882 2.118 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.528 -11.628 0.619 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.447 -12.897 2.484 1.00 0.00 C ATOM 0 H LEU A 34 -5.627 -11.708 4.335 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.335 -10.295 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.715 -10.694 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.883 -9.792 2.393 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.490 -12.291 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.682 -12.569 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.334 -10.937 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.574 -11.196 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.616 -13.821 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.465 -12.496 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.490 -13.102 3.554 1.00 0.00 H new ATOM 514 N VAL A 35 -6.172 -8.215 4.498 1.00 0.00 N ATOM 515 CA VAL A 35 -6.178 -6.809 4.885 1.00 0.00 C ATOM 516 C VAL A 35 -4.944 -6.088 4.353 1.00 0.00 C ATOM 517 O VAL A 35 -5.055 -5.102 3.623 1.00 0.00 O ATOM 518 CB VAL A 35 -6.233 -6.648 6.416 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.318 -5.177 6.795 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.409 -7.424 6.990 1.00 0.00 C ATOM 0 H VAL A 35 -6.456 -8.857 5.238 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.072 -6.364 4.448 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.316 -7.055 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.356 -5.082 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.441 -4.652 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.218 -4.741 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.433 -7.300 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.338 -7.048 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.300 -8.481 6.749 1.00 0.00 H new ATOM 530 N LEU A 36 -3.770 -6.585 4.724 1.00 0.00 N ATOM 531 CA LEU A 36 -2.513 -5.988 4.284 1.00 0.00 C ATOM 532 C LEU A 36 -2.345 -6.125 2.774 1.00 0.00 C ATOM 533 O LEU A 36 -1.825 -5.226 2.114 1.00 0.00 O ATOM 534 CB LEU A 36 -1.334 -6.647 5.002 1.00 0.00 C ATOM 535 CG LEU A 36 -0.004 -5.896 4.935 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.074 -4.613 5.748 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.133 -6.780 5.428 1.00 0.00 C ATOM 0 H LEU A 36 -3.661 -7.400 5.328 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.535 -4.927 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.601 -6.780 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.188 -7.642 4.581 1.00 0.00 H new ATOM 0 HG LEU A 36 0.191 -5.633 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.882 -4.092 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.862 -3.973 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.292 -4.853 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.072 -6.229 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.944 -7.074 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.198 -7.671 4.804 1.00 0.00 H new ATOM 549 N ASN A 37 -2.789 -7.255 2.234 1.00 0.00 N ATOM 550 CA ASN A 37 -2.689 -7.509 0.801 1.00 0.00 C ATOM 551 C ASN A 37 -3.431 -6.438 0.006 1.00 0.00 C ATOM 552 O ASN A 37 -2.826 -5.694 -0.764 1.00 0.00 O ATOM 553 CB ASN A 37 -3.253 -8.891 0.466 1.00 0.00 C ATOM 554 CG ASN A 37 -2.235 -9.996 0.673 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.180 -10.009 0.039 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.549 -10.931 1.562 1.00 0.00 N ATOM 0 H ASN A 37 -3.222 -8.010 2.767 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.635 -7.478 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.127 -9.084 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.591 -8.901 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.904 -11.700 1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.435 -10.880 2.065 1.00 0.00 H new ATOM 563 N GLU A 38 -4.744 -6.368 0.200 1.00 0.00 N ATOM 564 CA GLU A 38 -5.568 -5.389 -0.499 1.00 0.00 C ATOM 565 C GLU A 38 -5.038 -3.975 -0.279 1.00 0.00 C ATOM 566 O GLU A 38 -5.005 -3.163 -1.203 1.00 0.00 O ATOM 567 CB GLU A 38 -7.020 -5.481 -0.026 1.00 0.00 C ATOM 568 CG GLU A 38 -7.167 -6.009 1.391 1.00 0.00 C ATOM 569 CD GLU A 38 -8.370 -5.428 2.109 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.498 -5.899 1.852 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.184 -4.502 2.926 1.00 0.00 O ATOM 0 H GLU A 38 -5.260 -6.977 0.835 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.526 -5.612 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.476 -4.493 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.574 -6.129 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.255 -7.095 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.264 -5.777 1.956 1.00 0.00 H new ATOM 578 N ILE A 39 -4.625 -3.690 0.952 1.00 0.00 N ATOM 579 CA ILE A 39 -4.096 -2.376 1.294 1.00 0.00 C ATOM 580 C ILE A 39 -2.847 -2.056 0.479 1.00 0.00 C ATOM 581 O ILE A 39 -2.792 -1.045 -0.221 1.00 0.00 O ATOM 582 CB ILE A 39 -3.756 -2.278 2.793 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.038 -2.224 3.626 1.00 0.00 C ATOM 584 CG2 ILE A 39 -2.891 -1.056 3.061 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.799 -2.366 5.113 1.00 0.00 C ATOM 0 H ILE A 39 -4.647 -4.351 1.728 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.876 -1.652 1.059 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.194 -3.166 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.545 -1.278 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.709 -3.017 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.659 -1.001 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.965 -1.134 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.428 -0.157 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.752 -2.319 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.320 -3.324 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.153 -1.558 5.457 1.00 0.00 H new ATOM 597 N ARG A 40 -1.847 -2.926 0.574 1.00 0.00 N ATOM 598 CA ARG A 40 -0.598 -2.738 -0.155 1.00 0.00 C ATOM 599 C ARG A 40 -0.865 -2.510 -1.640 1.00 0.00 C ATOM 600 O ARG A 40 -0.474 -1.486 -2.200 1.00 0.00 O ATOM 601 CB ARG A 40 0.313 -3.952 0.031 1.00 0.00 C ATOM 602 CG ARG A 40 1.770 -3.676 -0.304 1.00 0.00 C ATOM 603 CD ARG A 40 2.525 -4.961 -0.606 1.00 0.00 C ATOM 604 NE ARG A 40 3.014 -5.607 0.609 1.00 0.00 N ATOM 605 CZ ARG A 40 3.276 -6.906 0.696 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.097 -7.694 -0.355 1.00 0.00 N ATOM 607 NH2 ARG A 40 3.719 -7.420 1.837 1.00 0.00 N ATOM 0 H ARG A 40 -1.877 -3.768 1.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.101 -1.855 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.245 -4.292 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.048 -4.766 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.827 -3.009 -1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.245 -3.161 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.871 -5.648 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.366 -4.741 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 40 3.162 -5.029 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.757 -7.303 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.299 -8.691 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.858 -6.817 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.920 -8.418 1.903 1.00 0.00 H new ATOM 621 N GLU A 41 -1.532 -3.471 -2.270 1.00 0.00 N ATOM 622 CA GLU A 41 -1.849 -3.375 -3.690 1.00 0.00 C ATOM 623 C GLU A 41 -2.611 -2.088 -3.992 1.00 0.00 C ATOM 624 O GLU A 41 -2.435 -1.483 -5.049 1.00 0.00 O ATOM 625 CB GLU A 41 -2.673 -4.585 -4.135 1.00 0.00 C ATOM 626 CG GLU A 41 -4.174 -4.359 -4.063 1.00 0.00 C ATOM 627 CD GLU A 41 -4.952 -5.649 -3.895 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.370 -6.632 -3.389 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.143 -5.677 -4.270 1.00 0.00 O ATOM 0 H GLU A 41 -1.863 -4.324 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.911 -3.360 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.402 -4.842 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.413 -5.440 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.398 -3.693 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.505 -3.855 -4.971 1.00 0.00 H new ATOM 636 N ASP A 42 -3.459 -1.677 -3.055 1.00 0.00 N ATOM 637 CA ASP A 42 -4.248 -0.462 -3.219 1.00 0.00 C ATOM 638 C ASP A 42 -3.344 0.759 -3.360 1.00 0.00 C ATOM 639 O ASP A 42 -3.582 1.628 -4.200 1.00 0.00 O ATOM 640 CB ASP A 42 -5.194 -0.278 -2.031 1.00 0.00 C ATOM 641 CG ASP A 42 -6.548 -0.919 -2.264 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.589 -2.025 -2.841 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.567 -0.313 -1.871 1.00 0.00 O ATOM 0 H ASP A 42 -3.617 -2.167 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.837 -0.562 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.740 -0.709 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.328 0.786 -1.838 1.00 0.00 H new ATOM 648 N LEU A 43 -2.308 0.820 -2.530 1.00 0.00 N ATOM 649 CA LEU A 43 -1.368 1.935 -2.561 1.00 0.00 C ATOM 650 C LEU A 43 -0.597 1.962 -3.876 1.00 0.00 C ATOM 651 O LEU A 43 -0.204 3.025 -4.356 1.00 0.00 O ATOM 652 CB LEU A 43 -0.393 1.838 -1.386 1.00 0.00 C ATOM 653 CG LEU A 43 -0.799 2.579 -0.113 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.228 2.356 0.986 1.00 0.00 C ATOM 655 CD2 LEU A 43 -0.969 4.066 -0.392 1.00 0.00 C ATOM 0 H LEU A 43 -2.098 0.111 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.938 2.861 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.255 0.785 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.575 2.219 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.756 2.181 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.079 2.892 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.301 1.291 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.199 2.726 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.258 4.578 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.028 4.478 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.743 4.209 -1.146 1.00 0.00 H new ATOM 667 N ARG A 44 -0.386 0.785 -4.456 1.00 0.00 N ATOM 668 CA ARG A 44 0.337 0.673 -5.717 1.00 0.00 C ATOM 669 C ARG A 44 -0.554 1.066 -6.892 1.00 0.00 C ATOM 670 O ARG A 44 -0.090 1.657 -7.867 1.00 0.00 O ATOM 671 CB ARG A 44 0.853 -0.754 -5.909 1.00 0.00 C ATOM 672 CG ARG A 44 1.904 -1.164 -4.891 1.00 0.00 C ATOM 673 CD ARG A 44 2.742 -2.329 -5.394 1.00 0.00 C ATOM 674 NE ARG A 44 2.131 -3.618 -5.081 1.00 0.00 N ATOM 675 CZ ARG A 44 2.793 -4.770 -5.105 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.079 -4.794 -5.426 1.00 0.00 N ATOM 677 NH2 ARG A 44 2.167 -5.902 -4.808 1.00 0.00 N ATOM 0 H ARG A 44 -0.706 -0.105 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 44 1.185 1.357 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.013 -1.446 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.273 -0.848 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.552 -0.315 -4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.418 -1.441 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.873 -2.242 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.735 -2.281 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 44 1.142 -3.635 -4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.564 -3.926 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.584 -5.680 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.177 -5.888 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.675 -6.786 -4.827 1.00 0.00 H new ATOM 691 N VAL A 45 -1.837 0.732 -6.792 1.00 0.00 N ATOM 692 CA VAL A 45 -2.794 1.049 -7.845 1.00 0.00 C ATOM 693 C VAL A 45 -3.277 2.491 -7.732 1.00 0.00 C ATOM 694 O VAL A 45 -3.718 3.087 -8.714 1.00 0.00 O ATOM 695 CB VAL A 45 -4.011 0.106 -7.801 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.571 -1.320 -7.509 1.00 0.00 C ATOM 697 CG2 VAL A 45 -5.018 0.585 -6.767 1.00 0.00 C ATOM 0 H VAL A 45 -2.237 0.242 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.276 0.916 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.494 0.118 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.444 -1.972 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.890 -1.658 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.063 -1.354 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.872 -0.093 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.549 0.603 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.357 1.588 -7.026 1.00 0.00 H new ATOM 707 N GLU A 46 -3.192 3.045 -6.526 1.00 0.00 N ATOM 708 CA GLU A 46 -3.621 4.417 -6.285 1.00 0.00 C ATOM 709 C GLU A 46 -2.537 5.408 -6.700 1.00 0.00 C ATOM 710 O GLU A 46 -2.812 6.393 -7.386 1.00 0.00 O ATOM 711 CB GLU A 46 -3.969 4.614 -4.808 1.00 0.00 C ATOM 712 CG GLU A 46 -2.790 5.059 -3.959 1.00 0.00 C ATOM 713 CD GLU A 46 -3.195 5.428 -2.545 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.393 5.297 -2.219 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.314 5.846 -1.765 1.00 0.00 O ATOM 0 H GLU A 46 -2.830 2.565 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.509 4.604 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.765 5.355 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.362 3.679 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.050 4.259 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.310 5.917 -4.431 1.00 0.00 H new ATOM 722 N CYS A 47 -1.306 5.139 -6.279 1.00 0.00 N ATOM 723 CA CYS A 47 -0.180 6.007 -6.605 1.00 0.00 C ATOM 724 C CYS A 47 0.198 5.876 -8.077 1.00 0.00 C ATOM 725 O CYS A 47 0.860 6.749 -8.638 1.00 0.00 O ATOM 726 CB CYS A 47 1.023 5.668 -5.724 1.00 0.00 C ATOM 727 SG CYS A 47 0.745 5.941 -3.959 1.00 0.00 S ATOM 0 H CYS A 47 -1.062 4.327 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.480 7.038 -6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.292 4.624 -5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.875 6.268 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 47 0.248 4.864 -3.426 1.00 0.00 H new ATOM 733 N SER A 48 -0.225 4.779 -8.696 1.00 0.00 N ATOM 734 CA SER A 48 0.074 4.531 -10.102 1.00 0.00 C ATOM 735 C SER A 48 -0.818 5.376 -11.005 1.00 0.00 C ATOM 736 O SER A 48 -0.404 5.805 -12.082 1.00 0.00 O ATOM 737 CB SER A 48 -0.108 3.048 -10.430 1.00 0.00 C ATOM 738 OG SER A 48 -0.385 2.860 -11.807 1.00 0.00 O ATOM 0 H SER A 48 -0.776 4.048 -8.247 1.00 0.00 H new ATOM 0 HA SER A 48 1.112 4.811 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.794 2.499 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.922 2.638 -9.833 1.00 0.00 H new ATOM 0 HG SER A 48 -0.496 1.904 -11.991 1.00 0.00 H new ATOM 744 N LYS A 49 -2.047 5.613 -10.557 1.00 0.00 N ATOM 745 CA LYS A 49 -3.000 6.408 -11.322 1.00 0.00 C ATOM 746 C LYS A 49 -2.301 7.565 -12.028 1.00 0.00 C ATOM 747 O LYS A 49 -2.569 7.846 -13.197 1.00 0.00 O ATOM 748 CB LYS A 49 -4.099 6.947 -10.404 1.00 0.00 C ATOM 749 CG LYS A 49 -4.867 5.859 -9.671 1.00 0.00 C ATOM 750 CD LYS A 49 -5.533 4.898 -10.641 1.00 0.00 C ATOM 751 CE LYS A 49 -6.315 3.819 -9.907 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.493 3.357 -10.692 1.00 0.00 N ATOM 0 H LYS A 49 -2.406 5.265 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.449 5.763 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.652 7.620 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.798 7.538 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.188 5.308 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.623 6.314 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.203 5.450 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.776 4.434 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.660 2.972 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.649 4.204 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.999 2.622 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.131 4.160 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.173 2.966 -11.601 1.00 0.00 H new ATOM 766 N PHE A 50 -1.402 8.233 -11.312 1.00 0.00 N ATOM 767 CA PHE A 50 -0.664 9.360 -11.871 1.00 0.00 C ATOM 768 C PHE A 50 0.487 8.875 -12.747 1.00 0.00 C ATOM 769 O PHE A 50 0.841 9.515 -13.736 1.00 0.00 O ATOM 770 CB PHE A 50 -0.125 10.250 -10.749 1.00 0.00 C ATOM 771 CG PHE A 50 -1.059 10.370 -9.579 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.059 9.414 -8.575 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.936 11.438 -9.481 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.917 9.522 -7.497 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.796 11.551 -8.405 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.786 10.592 -7.412 1.00 0.00 C ATOM 0 H PHE A 50 -1.167 8.013 -10.344 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.349 9.940 -12.489 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.828 9.849 -10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.074 11.244 -11.149 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.381 8.576 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.948 12.191 -10.255 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.908 8.770 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.475 12.388 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.457 10.678 -6.570 1.00 0.00 H new ATOM 786 N GLY A 51 1.068 7.738 -12.375 1.00 0.00 N ATOM 787 CA GLY A 51 2.173 7.186 -13.137 1.00 0.00 C ATOM 788 C GLY A 51 2.435 5.730 -12.807 1.00 0.00 C ATOM 789 O GLY A 51 1.768 4.839 -13.332 1.00 0.00 O ATOM 0 H GLY A 51 0.793 7.190 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.959 7.281 -14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.073 7.768 -12.939 1.00 0.00 H new ATOM 793 N GLN A 52 3.410 5.488 -11.936 1.00 0.00 N ATOM 794 CA GLN A 52 3.759 4.129 -11.539 1.00 0.00 C ATOM 795 C GLN A 52 4.267 4.096 -10.102 1.00 0.00 C ATOM 796 O GLN A 52 4.259 5.112 -9.407 1.00 0.00 O ATOM 797 CB GLN A 52 4.820 3.557 -12.481 1.00 0.00 C ATOM 798 CG GLN A 52 4.278 3.179 -13.850 1.00 0.00 C ATOM 799 CD GLN A 52 5.362 2.700 -14.796 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.251 1.942 -14.407 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.294 3.141 -16.046 1.00 0.00 N ATOM 0 H GLN A 52 3.972 6.215 -11.492 1.00 0.00 H new ATOM 0 HA GLN A 52 2.860 3.516 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.617 4.290 -12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.266 2.676 -12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.529 2.396 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.774 4.041 -14.288 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.540 3.768 -16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.996 2.853 -16.727 1.00 0.00 H new ATOM 810 N ILE A 53 4.709 2.922 -9.663 1.00 0.00 N ATOM 811 CA ILE A 53 5.221 2.757 -8.309 1.00 0.00 C ATOM 812 C ILE A 53 6.663 2.260 -8.323 1.00 0.00 C ATOM 813 O ILE A 53 6.917 1.065 -8.470 1.00 0.00 O ATOM 814 CB ILE A 53 4.359 1.772 -7.497 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.890 1.889 -7.907 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.521 2.031 -6.006 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.314 3.273 -7.704 1.00 0.00 C ATOM 0 H ILE A 53 4.723 2.071 -10.226 1.00 0.00 H new ATOM 0 HA ILE A 53 5.181 3.738 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 53 4.696 0.757 -7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.791 1.614 -8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.303 1.172 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.906 1.327 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.566 1.902 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.207 3.049 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.270 3.282 -8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.380 3.544 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.876 3.992 -8.300 1.00 0.00 H new ATOM 829 N ARG A 54 7.604 3.186 -8.167 1.00 0.00 N ATOM 830 CA ARG A 54 9.020 2.843 -8.161 1.00 0.00 C ATOM 831 C ARG A 54 9.354 1.930 -6.985 1.00 0.00 C ATOM 832 O ARG A 54 10.238 1.078 -7.077 1.00 0.00 O ATOM 833 CB ARG A 54 9.874 4.111 -8.095 1.00 0.00 C ATOM 834 CG ARG A 54 9.849 4.930 -9.375 1.00 0.00 C ATOM 835 CD ARG A 54 10.962 4.514 -10.324 1.00 0.00 C ATOM 836 NE ARG A 54 10.568 4.650 -11.724 1.00 0.00 N ATOM 837 CZ ARG A 54 11.250 4.123 -12.734 1.00 0.00 C ATOM 838 NH1 ARG A 54 12.355 3.428 -12.501 1.00 0.00 N ATOM 839 NH2 ARG A 54 10.827 4.289 -13.981 1.00 0.00 N ATOM 0 H ARG A 54 7.410 4.180 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 54 9.243 2.311 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.525 4.732 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.904 3.834 -7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.884 4.808 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.952 5.988 -9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.846 5.124 -10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.240 3.479 -10.125 1.00 0.00 H new ATOM 0 HE ARG A 54 9.722 5.179 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.683 3.297 -11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.877 3.024 -13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.977 4.822 -14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.352 3.884 -14.756 1.00 0.00 H new ATOM 853 N LYS A 55 8.641 2.115 -5.879 1.00 0.00 N ATOM 854 CA LYS A 55 8.859 1.309 -4.684 1.00 0.00 C ATOM 855 C LYS A 55 7.731 1.511 -3.677 1.00 0.00 C ATOM 856 O LYS A 55 7.246 2.628 -3.490 1.00 0.00 O ATOM 857 CB LYS A 55 10.201 1.666 -4.041 1.00 0.00 C ATOM 858 CG LYS A 55 10.425 1.004 -2.692 1.00 0.00 C ATOM 859 CD LYS A 55 10.974 -0.405 -2.847 1.00 0.00 C ATOM 860 CE LYS A 55 11.780 -0.826 -1.629 1.00 0.00 C ATOM 861 NZ LYS A 55 12.291 -2.219 -1.756 1.00 0.00 N ATOM 0 H LYS A 55 7.907 2.817 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 55 8.873 0.260 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.006 1.377 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.260 2.748 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.119 1.603 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.485 0.971 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.150 -1.103 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.603 -0.456 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.618 -0.143 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.158 -0.747 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.835 -2.468 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.490 -2.875 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.905 -2.289 -2.593 1.00 0.00 H new ATOM 875 N LEU A 56 7.319 0.426 -3.031 1.00 0.00 N ATOM 876 CA LEU A 56 6.249 0.485 -2.042 1.00 0.00 C ATOM 877 C LEU A 56 6.615 -0.314 -0.795 1.00 0.00 C ATOM 878 O LEU A 56 7.018 -1.475 -0.885 1.00 0.00 O ATOM 879 CB LEU A 56 4.946 -0.049 -2.639 1.00 0.00 C ATOM 880 CG LEU A 56 3.656 0.553 -2.081 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.245 1.776 -2.886 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.542 -0.484 -2.077 1.00 0.00 C ATOM 0 H LEU A 56 7.710 -0.505 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 56 6.110 1.527 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.967 0.121 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.915 -1.128 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 56 3.839 0.865 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.325 2.190 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.035 2.526 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.080 1.489 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.631 -0.038 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.361 -0.827 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.835 -1.330 -1.456 1.00 0.00 H new ATOM 894 N LEU A 57 6.470 0.313 0.367 1.00 0.00 N ATOM 895 CA LEU A 57 6.783 -0.341 1.633 1.00 0.00 C ATOM 896 C LEU A 57 5.702 -0.061 2.672 1.00 0.00 C ATOM 897 O LEU A 57 5.562 1.065 3.151 1.00 0.00 O ATOM 898 CB LEU A 57 8.141 0.135 2.153 1.00 0.00 C ATOM 899 CG LEU A 57 9.321 -0.029 1.195 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.439 0.938 1.554 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.828 -1.464 1.214 1.00 0.00 C ATOM 0 H LEU A 57 6.138 1.273 0.459 1.00 0.00 H new ATOM 0 HA LEU A 57 6.824 -1.416 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.057 1.189 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.366 -0.407 3.071 1.00 0.00 H new ATOM 0 HG LEU A 57 8.979 0.201 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.270 0.807 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.070 1.962 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.779 0.740 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.668 -1.562 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.152 -1.722 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.027 -2.137 0.907 1.00 0.00 H new ATOM 913 N LEU A 58 4.940 -1.094 3.017 1.00 0.00 N ATOM 914 CA LEU A 58 3.872 -0.961 4.002 1.00 0.00 C ATOM 915 C LEU A 58 4.376 -1.298 5.401 1.00 0.00 C ATOM 916 O LEU A 58 4.721 -2.445 5.688 1.00 0.00 O ATOM 917 CB LEU A 58 2.698 -1.871 3.636 1.00 0.00 C ATOM 918 CG LEU A 58 1.309 -1.363 4.023 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.230 -2.249 3.420 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.166 -1.301 5.537 1.00 0.00 C ATOM 0 H LEU A 58 5.042 -2.032 2.629 1.00 0.00 H new ATOM 0 HA LEU A 58 3.535 0.075 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.715 -2.037 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.854 -2.840 4.110 1.00 0.00 H new ATOM 0 HG LEU A 58 1.188 -0.355 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.752 -1.872 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.319 -2.242 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.349 -3.268 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.171 -0.937 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.308 -2.297 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.916 -0.624 5.946 1.00 0.00 H new ATOM 932 N PHE A 59 4.414 -0.293 6.269 1.00 0.00 N ATOM 933 CA PHE A 59 4.874 -0.484 7.640 1.00 0.00 C ATOM 934 C PHE A 59 3.734 -0.958 8.536 1.00 0.00 C ATOM 935 O PHE A 59 3.283 -0.231 9.422 1.00 0.00 O ATOM 936 CB PHE A 59 5.462 0.818 8.189 1.00 0.00 C ATOM 937 CG PHE A 59 6.490 1.439 7.286 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.424 0.651 6.633 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.522 2.810 7.092 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.371 1.220 5.802 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.466 3.384 6.262 1.00 0.00 C ATOM 942 CZ PHE A 59 8.393 2.588 5.617 1.00 0.00 C ATOM 0 H PHE A 59 4.132 0.662 6.048 1.00 0.00 H new ATOM 0 HA PHE A 59 5.649 -1.250 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.654 1.532 8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.915 0.622 9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.412 -0.420 6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.801 3.437 7.595 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.093 0.595 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.479 4.454 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.133 3.035 4.970 1.00 0.00 H new ATOM 952 N ASP A 60 3.272 -2.180 8.299 1.00 0.00 N ATOM 953 CA ASP A 60 2.184 -2.753 9.084 1.00 0.00 C ATOM 954 C ASP A 60 2.431 -2.558 10.576 1.00 0.00 C ATOM 955 O ASP A 60 1.492 -2.386 11.353 1.00 0.00 O ATOM 956 CB ASP A 60 2.029 -4.242 8.770 1.00 0.00 C ATOM 957 CG ASP A 60 3.348 -4.900 8.417 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.091 -5.278 9.347 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.638 -5.037 7.210 1.00 0.00 O ATOM 0 H ASP A 60 3.634 -2.794 7.569 1.00 0.00 H new ATOM 0 HA ASP A 60 1.263 -2.236 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.593 -4.748 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.332 -4.365 7.941 1.00 0.00 H new ATOM 964 N ARG A 61 3.700 -2.588 10.970 1.00 0.00 N ATOM 965 CA ARG A 61 4.070 -2.417 12.370 1.00 0.00 C ATOM 966 C ARG A 61 3.379 -1.196 12.970 1.00 0.00 C ATOM 967 O ARG A 61 2.594 -1.313 13.911 1.00 0.00 O ATOM 968 CB ARG A 61 5.587 -2.276 12.506 1.00 0.00 C ATOM 969 CG ARG A 61 6.307 -3.602 12.691 1.00 0.00 C ATOM 970 CD ARG A 61 6.270 -4.438 11.422 1.00 0.00 C ATOM 971 NE ARG A 61 7.441 -5.303 11.302 1.00 0.00 N ATOM 972 CZ ARG A 61 7.876 -5.795 10.147 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.240 -5.509 9.019 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.949 -6.574 10.118 1.00 0.00 N ATOM 0 H ARG A 61 4.489 -2.729 10.339 1.00 0.00 H new ATOM 0 HA ARG A 61 3.744 -3.302 12.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.979 -1.780 11.618 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.809 -1.630 13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.343 -3.418 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.845 -4.157 13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.367 -5.048 11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.216 -3.779 10.555 1.00 0.00 H new ATOM 0 HE ARG A 61 7.953 -5.542 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.415 -4.910 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.576 -5.888 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.441 -6.796 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.282 -6.951 9.231 1.00 0.00 H new ATOM 988 N HIS A 62 3.677 -0.024 12.418 1.00 0.00 N ATOM 989 CA HIS A 62 3.085 1.220 12.898 1.00 0.00 C ATOM 990 C HIS A 62 1.567 1.098 12.993 1.00 0.00 C ATOM 991 O HIS A 62 0.872 0.911 11.995 1.00 0.00 O ATOM 992 CB HIS A 62 3.458 2.378 11.973 1.00 0.00 C ATOM 993 CG HIS A 62 3.765 3.651 12.700 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.797 4.424 13.306 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.941 4.285 12.917 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.364 5.478 13.863 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.665 5.418 13.643 1.00 0.00 N ATOM 0 H HIS A 62 4.325 0.090 11.638 1.00 0.00 H new ATOM 0 HA HIS A 62 3.479 1.420 13.894 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.325 2.092 11.377 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.638 2.555 11.278 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.915 3.961 12.582 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.851 6.257 14.407 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.352 6.101 13.960 1.00 0.00 H new ATOM 1005 N PRO A 63 1.040 1.205 14.222 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.401 1.109 14.476 1.00 0.00 C ATOM 1007 C PRO A 63 -1.166 2.313 13.937 1.00 0.00 C ATOM 1008 O PRO A 63 -2.378 2.423 14.121 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.489 1.060 16.004 1.00 0.00 C ATOM 1010 CG PRO A 63 0.749 1.741 16.476 1.00 0.00 C ATOM 1011 CD PRO A 63 1.809 1.428 15.458 1.00 0.00 C ATOM 0 HA PRO A 63 -0.846 0.245 13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.383 1.568 16.366 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.538 0.033 16.365 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.594 2.817 16.560 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.039 1.383 17.464 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.516 2.250 15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.386 0.546 15.737 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.450 3.212 13.270 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.063 4.408 12.702 1.00 0.00 C ATOM 1021 C ASP A 64 -1.122 4.317 11.181 1.00 0.00 C ATOM 1022 O ASP A 64 -1.154 5.335 10.489 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.283 5.654 13.122 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.146 5.772 14.627 1.00 0.00 C ATOM 1025 OD1 ASP A 64 0.815 5.199 15.183 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.999 6.438 15.250 1.00 0.00 O ATOM 0 H ASP A 64 0.554 3.136 13.109 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.082 4.482 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.709 5.627 12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.785 6.541 12.735 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.134 3.092 10.665 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.187 2.891 9.229 1.00 0.00 C ATOM 1033 C GLY A 65 -0.208 3.776 8.483 1.00 0.00 C ATOM 1034 O GLY A 65 -0.600 4.763 7.862 1.00 0.00 O ATOM 0 H GLY A 65 -1.108 2.234 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.972 1.846 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.198 3.093 8.874 1.00 0.00 H new ATOM 1038 N VAL A 66 1.072 3.422 8.546 1.00 0.00 N ATOM 1039 CA VAL A 66 2.112 4.190 7.872 1.00 0.00 C ATOM 1040 C VAL A 66 2.687 3.418 6.690 1.00 0.00 C ATOM 1041 O VAL A 66 3.155 2.290 6.842 1.00 0.00 O ATOM 1042 CB VAL A 66 3.255 4.556 8.838 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.364 5.289 8.099 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.728 5.395 9.993 1.00 0.00 C ATOM 0 H VAL A 66 1.413 2.608 9.057 1.00 0.00 H new ATOM 0 HA VAL A 66 1.645 5.106 7.511 1.00 0.00 H new ATOM 0 HB VAL A 66 3.670 3.635 9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.163 5.540 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.759 4.650 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.966 6.204 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.549 5.645 10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.286 6.312 9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.972 4.830 10.538 1.00 0.00 H new ATOM 1054 N ALA A 67 2.650 4.034 5.513 1.00 0.00 N ATOM 1055 CA ALA A 67 3.170 3.406 4.305 1.00 0.00 C ATOM 1056 C ALA A 67 4.112 4.346 3.560 1.00 0.00 C ATOM 1057 O ALA A 67 4.002 5.567 3.671 1.00 0.00 O ATOM 1058 CB ALA A 67 2.026 2.974 3.400 1.00 0.00 C ATOM 0 H ALA A 67 2.265 4.968 5.371 1.00 0.00 H new ATOM 0 HA ALA A 67 3.738 2.523 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.429 2.507 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.394 2.260 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.434 3.846 3.121 1.00 0.00 H new ATOM 1064 N SER A 68 5.037 3.769 2.800 1.00 0.00 N ATOM 1065 CA SER A 68 6.001 4.555 2.039 1.00 0.00 C ATOM 1066 C SER A 68 5.886 4.259 0.547 1.00 0.00 C ATOM 1067 O SER A 68 6.194 3.155 0.096 1.00 0.00 O ATOM 1068 CB SER A 68 7.423 4.263 2.521 1.00 0.00 C ATOM 1069 OG SER A 68 8.384 4.772 1.613 1.00 0.00 O ATOM 0 H SER A 68 5.139 2.760 2.695 1.00 0.00 H new ATOM 0 HA SER A 68 5.780 5.610 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.576 4.708 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.558 3.187 2.634 1.00 0.00 H new ATOM 0 HG SER A 68 9.285 4.574 1.945 1.00 0.00 H new ATOM 1075 N VAL A 69 5.442 5.253 -0.215 1.00 0.00 N ATOM 1076 CA VAL A 69 5.287 5.102 -1.657 1.00 0.00 C ATOM 1077 C VAL A 69 6.312 5.941 -2.411 1.00 0.00 C ATOM 1078 O VAL A 69 6.198 7.165 -2.479 1.00 0.00 O ATOM 1079 CB VAL A 69 3.873 5.504 -2.115 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.540 4.857 -3.451 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.844 5.128 -1.060 1.00 0.00 C ATOM 0 H VAL A 69 5.183 6.173 0.143 1.00 0.00 H new ATOM 0 HA VAL A 69 5.448 4.048 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 69 3.846 6.586 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.537 5.153 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.260 5.182 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.584 3.772 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.850 5.420 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.869 4.051 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.074 5.644 -0.128 1.00 0.00 H new ATOM 1091 N SER A 70 7.313 5.275 -2.977 1.00 0.00 N ATOM 1092 CA SER A 70 8.361 5.960 -3.724 1.00 0.00 C ATOM 1093 C SER A 70 7.869 6.356 -5.113 1.00 0.00 C ATOM 1094 O SER A 70 7.045 5.664 -5.712 1.00 0.00 O ATOM 1095 CB SER A 70 9.598 5.068 -3.845 1.00 0.00 C ATOM 1096 OG SER A 70 10.769 5.842 -4.036 1.00 0.00 O ATOM 0 H SER A 70 7.420 4.262 -2.932 1.00 0.00 H new ATOM 0 HA SER A 70 8.627 6.866 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.702 4.462 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.473 4.380 -4.681 1.00 0.00 H new ATOM 0 HG SER A 70 11.545 5.248 -4.109 1.00 0.00 H new ATOM 1102 N PHE A 71 8.379 7.473 -5.619 1.00 0.00 N ATOM 1103 CA PHE A 71 7.991 7.963 -6.937 1.00 0.00 C ATOM 1104 C PHE A 71 9.220 8.311 -7.771 1.00 0.00 C ATOM 1105 O PHE A 71 10.298 8.566 -7.232 1.00 0.00 O ATOM 1106 CB PHE A 71 7.087 9.190 -6.802 1.00 0.00 C ATOM 1107 CG PHE A 71 5.701 8.865 -6.327 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.416 8.801 -4.972 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.682 8.623 -7.234 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.141 8.500 -4.532 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.404 8.322 -6.799 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.133 8.262 -5.446 1.00 0.00 C ATOM 0 H PHE A 71 9.062 8.057 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 71 7.442 7.170 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.545 9.894 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.023 9.692 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.199 8.988 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.888 8.670 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.933 8.451 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.619 8.134 -7.516 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.135 8.030 -5.103 1.00 0.00 H new ATOM 1122 N ARG A 72 9.050 8.320 -9.089 1.00 0.00 N ATOM 1123 CA ARG A 72 10.145 8.635 -9.999 1.00 0.00 C ATOM 1124 C ARG A 72 10.103 10.103 -10.413 1.00 0.00 C ATOM 1125 O ARG A 72 11.138 10.762 -10.506 1.00 0.00 O ATOM 1126 CB ARG A 72 10.079 7.741 -11.239 1.00 0.00 C ATOM 1127 CG ARG A 72 11.102 8.102 -12.304 1.00 0.00 C ATOM 1128 CD ARG A 72 12.517 7.780 -11.850 1.00 0.00 C ATOM 1129 NE ARG A 72 13.515 8.568 -12.567 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.972 8.253 -13.774 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.522 7.172 -14.395 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.880 9.021 -14.362 1.00 0.00 N ATOM 0 H ARG A 72 8.164 8.113 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 72 11.083 8.450 -9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.231 6.704 -10.938 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.080 7.805 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.881 7.558 -13.222 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.027 9.164 -12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.606 7.969 -10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.714 6.719 -12.004 1.00 0.00 H new ATOM 0 HE ARG A 72 13.882 9.407 -12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.823 6.580 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.874 6.932 -15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.228 9.854 -13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.230 8.778 -15.289 1.00 0.00 H new ATOM 1146 N ASP A 73 8.899 10.607 -10.661 1.00 0.00 N ATOM 1147 CA ASP A 73 8.721 11.997 -11.065 1.00 0.00 C ATOM 1148 C ASP A 73 8.365 12.870 -9.866 1.00 0.00 C ATOM 1149 O ASP A 73 7.576 12.488 -9.002 1.00 0.00 O ATOM 1150 CB ASP A 73 7.631 12.105 -12.132 1.00 0.00 C ATOM 1151 CG ASP A 73 8.183 11.978 -13.539 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.247 11.345 -13.703 1.00 0.00 O ATOM 1153 OD2 ASP A 73 7.553 12.513 -14.475 1.00 0.00 O ATOM 0 H ASP A 73 8.032 10.074 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 73 9.663 12.352 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.886 11.327 -11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.121 13.063 -12.030 1.00 0.00 H new ATOM 1158 N PRO A 74 8.959 14.071 -9.810 1.00 0.00 N ATOM 1159 CA PRO A 74 8.720 15.023 -8.722 1.00 0.00 C ATOM 1160 C PRO A 74 7.314 15.612 -8.765 1.00 0.00 C ATOM 1161 O PRO A 74 6.755 15.984 -7.734 1.00 0.00 O ATOM 1162 CB PRO A 74 9.764 16.114 -8.969 1.00 0.00 C ATOM 1163 CG PRO A 74 10.051 16.041 -10.429 1.00 0.00 C ATOM 1164 CD PRO A 74 9.910 14.592 -10.806 1.00 0.00 C ATOM 0 HA PRO A 74 8.800 14.551 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.384 17.096 -8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.664 15.941 -8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.356 16.661 -10.995 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.055 16.406 -10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.532 14.476 -11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.866 14.070 -10.760 1.00 0.00 H new ATOM 1172 N GLU A 75 6.748 15.693 -9.966 1.00 0.00 N ATOM 1173 CA GLU A 75 5.407 16.237 -10.142 1.00 0.00 C ATOM 1174 C GLU A 75 4.351 15.253 -9.648 1.00 0.00 C ATOM 1175 O GLU A 75 3.472 15.611 -8.865 1.00 0.00 O ATOM 1176 CB GLU A 75 5.158 16.574 -11.613 1.00 0.00 C ATOM 1177 CG GLU A 75 6.020 17.713 -12.132 1.00 0.00 C ATOM 1178 CD GLU A 75 5.687 18.093 -13.561 1.00 0.00 C ATOM 1179 OE1 GLU A 75 6.148 17.392 -14.485 1.00 0.00 O ATOM 1180 OE2 GLU A 75 4.964 19.094 -13.754 1.00 0.00 O ATOM 0 H GLU A 75 7.197 15.389 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 75 5.333 17.150 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.343 15.686 -12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.108 16.836 -11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.890 18.584 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.070 17.426 -12.072 1.00 0.00 H new ATOM 1187 N GLU A 76 4.444 14.011 -10.114 1.00 0.00 N ATOM 1188 CA GLU A 76 3.496 12.975 -9.721 1.00 0.00 C ATOM 1189 C GLU A 76 3.344 12.924 -8.204 1.00 0.00 C ATOM 1190 O GLU A 76 2.245 13.083 -7.674 1.00 0.00 O ATOM 1191 CB GLU A 76 3.950 11.611 -10.246 1.00 0.00 C ATOM 1192 CG GLU A 76 3.557 11.353 -11.691 1.00 0.00 C ATOM 1193 CD GLU A 76 4.007 12.460 -12.624 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.387 13.544 -12.601 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.979 12.242 -13.378 1.00 0.00 O ATOM 0 H GLU A 76 5.166 13.698 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 76 2.528 13.220 -10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.034 11.538 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.524 10.829 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.991 10.408 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.474 11.246 -11.756 1.00 0.00 H new ATOM 1202 N ALA A 77 4.456 12.699 -7.511 1.00 0.00 N ATOM 1203 CA ALA A 77 4.447 12.628 -6.055 1.00 0.00 C ATOM 1204 C ALA A 77 3.803 13.869 -5.449 1.00 0.00 C ATOM 1205 O ALA A 77 2.793 13.778 -4.750 1.00 0.00 O ATOM 1206 CB ALA A 77 5.863 12.454 -5.527 1.00 0.00 C ATOM 0 H ALA A 77 5.374 12.563 -7.934 1.00 0.00 H new ATOM 0 HA ALA A 77 3.853 11.763 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.842 12.402 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.289 11.533 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.474 13.301 -5.838 1.00 0.00 H new ATOM 1212 N ASP A 78 4.393 15.028 -5.719 1.00 0.00 N ATOM 1213 CA ASP A 78 3.875 16.289 -5.200 1.00 0.00 C ATOM 1214 C ASP A 78 2.375 16.405 -5.449 1.00 0.00 C ATOM 1215 O ASP A 78 1.661 17.072 -4.699 1.00 0.00 O ATOM 1216 CB ASP A 78 4.604 17.469 -5.847 1.00 0.00 C ATOM 1217 CG ASP A 78 5.912 17.793 -5.152 1.00 0.00 C ATOM 1218 OD1 ASP A 78 6.643 16.846 -4.794 1.00 0.00 O ATOM 1219 OD2 ASP A 78 6.203 18.993 -4.964 1.00 0.00 O ATOM 0 H ASP A 78 5.230 15.121 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 78 4.049 16.309 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.799 17.241 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.958 18.347 -5.827 1.00 0.00 H new ATOM 1224 N TYR A 79 1.903 15.751 -6.505 1.00 0.00 N ATOM 1225 CA TYR A 79 0.488 15.783 -6.854 1.00 0.00 C ATOM 1226 C TYR A 79 -0.268 14.650 -6.167 1.00 0.00 C ATOM 1227 O TYR A 79 -1.460 14.770 -5.878 1.00 0.00 O ATOM 1228 CB TYR A 79 0.313 15.683 -8.370 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.132 15.618 -8.810 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.104 16.388 -8.183 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.526 14.788 -9.852 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.426 16.332 -8.581 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.845 14.726 -10.257 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.791 15.500 -9.619 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.107 15.441 -10.018 1.00 0.00 O ATOM 0 H TYR A 79 2.480 15.192 -7.134 1.00 0.00 H new ATOM 0 HA TYR A 79 0.076 16.731 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.789 16.544 -8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.834 14.796 -8.730 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.821 17.041 -7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.788 14.180 -10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.169 16.936 -8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.134 14.075 -11.069 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.195 14.808 -10.761 1.00 0.00 H new ATOM 1245 N CYS A 80 0.432 13.552 -5.908 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.172 12.396 -5.255 1.00 0.00 C ATOM 1247 C CYS A 80 -0.470 12.694 -3.789 1.00 0.00 C ATOM 1248 O CYS A 80 -1.393 12.126 -3.205 1.00 0.00 O ATOM 1249 CB CYS A 80 0.753 11.183 -5.363 1.00 0.00 C ATOM 1250 SG CYS A 80 1.959 11.051 -4.022 1.00 0.00 S ATOM 0 H CYS A 80 1.419 13.437 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.112 12.174 -5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.146 10.278 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.286 11.229 -6.313 1.00 0.00 H new ATOM 0 HG CYS A 80 2.701 10.000 -4.208 1.00 0.00 H new ATOM 1256 N ILE A 81 0.318 13.588 -3.200 1.00 0.00 N ATOM 1257 CA ILE A 81 0.138 13.960 -1.802 1.00 0.00 C ATOM 1258 C ILE A 81 -1.156 14.742 -1.604 1.00 0.00 C ATOM 1259 O ILE A 81 -1.771 14.684 -0.539 1.00 0.00 O ATOM 1260 CB ILE A 81 1.318 14.805 -1.288 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.094 16.284 -1.611 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.624 14.317 -1.898 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.346 17.031 -0.529 1.00 0.00 C ATOM 0 H ILE A 81 1.086 14.068 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 81 0.091 13.032 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 81 1.380 14.694 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.060 16.763 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.540 16.364 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.449 14.924 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.787 13.275 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.573 14.402 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.223 18.073 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.634 16.577 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.910 16.982 0.403 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.565 15.472 -2.638 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.787 16.264 -2.577 1.00 0.00 C ATOM 1277 C GLN A 82 -3.982 15.462 -3.081 1.00 0.00 C ATOM 1278 O GLN A 82 -5.123 15.714 -2.692 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.632 17.543 -3.401 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.998 17.316 -4.764 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.957 18.576 -5.606 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.818 18.793 -6.460 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.955 19.414 -5.371 1.00 0.00 N ATOM 0 H GLN A 82 -1.068 15.531 -3.527 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.965 16.530 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.613 17.999 -3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.025 18.255 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.984 16.940 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.556 16.546 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.264 19.194 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.876 20.278 -5.908 1.00 0.00 H new ATOM 1292 N THR A 83 -3.713 14.493 -3.952 1.00 0.00 N ATOM 1293 CA THR A 83 -4.766 13.655 -4.511 1.00 0.00 C ATOM 1294 C THR A 83 -5.014 12.429 -3.640 1.00 0.00 C ATOM 1295 O THR A 83 -6.117 11.882 -3.619 1.00 0.00 O ATOM 1296 CB THR A 83 -4.418 13.194 -5.939 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.435 14.312 -6.833 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.400 12.137 -6.421 1.00 0.00 C ATOM 0 H THR A 83 -2.775 14.270 -4.285 1.00 0.00 H new ATOM 0 HA THR A 83 -5.670 14.263 -4.543 1.00 0.00 H new ATOM 0 HB THR A 83 -3.419 12.758 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.520 14.636 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.134 11.827 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.362 11.275 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.408 12.551 -6.422 1.00 0.00 H new ATOM 1306 N LEU A 84 -3.982 12.002 -2.921 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.088 10.839 -2.045 1.00 0.00 C ATOM 1308 C LEU A 84 -4.411 11.262 -0.616 1.00 0.00 C ATOM 1309 O LEU A 84 -4.799 10.438 0.213 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.785 10.037 -2.070 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.353 9.502 -3.435 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -0.995 8.824 -3.336 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.394 8.537 -3.984 1.00 0.00 C ATOM 0 H LEU A 84 -3.062 12.443 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.901 10.212 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.986 10.668 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.888 9.193 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.268 10.343 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.703 8.449 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.254 9.543 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.054 7.993 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.070 8.166 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.511 7.699 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.348 9.054 -4.093 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.252 12.550 -0.335 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.530 13.084 0.994 1.00 0.00 C ATOM 1327 C ASP A 85 -6.021 13.009 1.308 1.00 0.00 C ATOM 1328 O ASP A 85 -6.452 13.355 2.407 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.046 14.531 1.097 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.924 15.371 2.004 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.071 15.670 1.610 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.464 15.729 3.109 1.00 0.00 O ATOM 0 H ASP A 85 -3.932 13.245 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.993 12.477 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.023 14.543 1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.025 14.976 0.102 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.804 12.555 0.334 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.238 12.444 0.526 1.00 0.00 C ATOM 1339 C GLY A 86 -8.755 11.048 0.241 1.00 0.00 C ATOM 1340 O GLY A 86 -9.956 10.793 0.330 1.00 0.00 O ATOM 0 H GLY A 86 -6.471 12.262 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.486 12.718 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.745 13.156 -0.126 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.847 10.141 -0.106 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.218 8.764 -0.408 1.00 0.00 C ATOM 1346 C ARG A 87 -8.862 8.096 0.803 1.00 0.00 C ATOM 1347 O ARG A 87 -8.805 8.620 1.916 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.990 7.967 -0.850 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.440 8.395 -2.201 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.003 7.540 -3.327 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.212 8.123 -3.903 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.438 7.845 -3.474 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -9.617 6.998 -2.470 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.489 8.415 -4.050 1.00 0.00 N ATOM 0 H ARG A 87 -6.849 10.336 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.944 8.780 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.208 8.074 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.249 6.909 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.685 9.442 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.353 8.319 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.249 7.424 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.226 6.543 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.109 8.779 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.812 6.558 -2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.560 6.787 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.356 9.067 -4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.430 8.201 -3.720 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.474 6.939 0.579 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.129 6.200 1.652 1.00 0.00 C ATOM 1370 C TRP A 88 -9.668 4.747 1.673 1.00 0.00 C ATOM 1371 O TRP A 88 -9.813 4.025 0.686 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.648 6.263 1.489 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.220 7.621 1.765 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.153 8.719 0.955 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.943 8.025 2.933 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.791 9.781 1.550 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.285 9.381 2.763 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.336 7.373 4.105 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.999 10.094 3.722 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.045 8.082 5.056 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.372 9.431 4.859 1.00 0.00 C ATOM 0 H TRP A 88 -9.530 6.492 -0.336 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.853 6.663 2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.910 5.966 0.473 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.109 5.539 2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.670 8.748 -0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.882 10.716 1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.090 6.334 4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.250 11.134 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.352 7.589 5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.929 9.957 5.620 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.111 4.324 2.803 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.627 2.956 2.952 1.00 0.00 C ATOM 1394 C PHE A 89 -9.294 2.270 4.140 1.00 0.00 C ATOM 1395 O PHE A 89 -9.486 2.876 5.194 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.108 2.946 3.129 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.352 2.987 1.832 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.629 3.959 0.884 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.365 2.053 1.560 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.936 3.998 -0.311 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.668 2.088 0.367 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.953 3.062 -0.570 1.00 0.00 C ATOM 0 H PHE A 89 -8.984 4.909 3.629 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.883 2.406 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.816 3.802 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.820 2.050 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.395 4.694 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.138 1.289 2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.163 4.760 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.901 1.354 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.409 3.092 -1.503 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.646 1.000 3.962 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.288 0.251 5.026 1.00 0.00 C ATOM 1414 C GLY A 90 -11.633 0.832 5.414 1.00 0.00 C ATOM 1415 O GLY A 90 -12.268 0.369 6.360 1.00 0.00 O ATOM 0 H GLY A 90 -9.498 0.477 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.420 -0.783 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.637 0.236 5.900 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.069 1.853 4.681 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.344 2.483 4.970 1.00 0.00 C ATOM 1421 C GLY A 91 -13.187 3.900 5.485 1.00 0.00 C ATOM 1422 O GLY A 91 -14.142 4.677 5.482 1.00 0.00 O ATOM 0 H GLY A 91 -11.562 2.255 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.954 2.494 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.880 1.888 5.709 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.981 4.236 5.929 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.704 5.568 6.452 1.00 0.00 C ATOM 1428 C ARG A 92 -10.827 6.360 5.486 1.00 0.00 C ATOM 1429 O ARG A 92 -10.223 5.794 4.576 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.018 5.471 7.817 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.603 4.921 7.750 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.222 4.205 9.036 1.00 0.00 C ATOM 1433 NE ARG A 92 -7.805 3.855 9.069 1.00 0.00 N ATOM 1434 CZ ARG A 92 -7.285 2.969 9.911 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.063 2.346 10.785 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -5.985 2.705 9.880 1.00 0.00 N ATOM 0 H ARG A 92 -11.180 3.604 5.937 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.654 6.091 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.993 6.461 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.615 4.835 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.519 4.232 6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.903 5.736 7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.458 4.842 9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.821 3.300 9.138 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.179 4.317 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.063 2.547 10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.662 1.666 11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.383 3.183 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.587 2.024 10.527 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.765 7.672 5.692 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.964 8.541 4.838 1.00 0.00 C ATOM 1452 C GLN A 93 -8.491 8.482 5.230 1.00 0.00 C ATOM 1453 O GLN A 93 -8.153 8.122 6.358 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.469 9.982 4.924 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.278 10.772 3.639 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.344 12.270 3.859 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.378 12.741 4.996 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.362 13.029 2.769 1.00 0.00 N ATOM 0 H GLN A 93 -11.259 8.156 6.442 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.062 8.190 3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.528 9.972 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.949 10.492 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.314 10.515 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.044 10.480 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.332 12.596 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.406 14.044 2.855 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.620 8.837 4.292 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.183 8.825 4.540 1.00 0.00 C ATOM 1469 C ILE A 94 -5.528 10.107 4.039 1.00 0.00 C ATOM 1470 O ILE A 94 -5.996 10.725 3.082 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.506 7.618 3.865 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.222 7.922 2.392 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.378 6.378 3.997 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.518 6.797 1.667 1.00 0.00 C ATOM 0 H ILE A 94 -7.884 9.137 3.353 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.049 8.750 5.619 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.557 7.426 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.163 8.137 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.612 8.823 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.885 5.534 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.533 6.153 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.341 6.558 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.349 7.083 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.561 6.597 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.136 5.900 1.701 1.00 0.00 H new ATOM 1486 N THR A 95 -4.439 10.503 4.692 1.00 0.00 N ATOM 1487 CA THR A 95 -3.718 11.712 4.313 1.00 0.00 C ATOM 1488 C THR A 95 -2.403 11.373 3.621 1.00 0.00 C ATOM 1489 O THR A 95 -1.820 10.315 3.859 1.00 0.00 O ATOM 1490 CB THR A 95 -3.427 12.599 5.538 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.603 13.706 5.156 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.737 11.800 6.633 1.00 0.00 C ATOM 0 H THR A 95 -4.037 10.004 5.486 1.00 0.00 H new ATOM 0 HA THR A 95 -4.359 12.259 3.621 1.00 0.00 H new ATOM 0 HB THR A 95 -4.376 12.970 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.424 14.266 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.542 12.448 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.380 10.975 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.795 11.404 6.255 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.940 12.278 2.764 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.692 12.075 2.040 1.00 0.00 C ATOM 1502 C ALA A 96 0.216 13.295 2.159 1.00 0.00 C ATOM 1503 O ALA A 96 -0.260 14.424 2.274 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.975 11.766 0.577 1.00 0.00 C ATOM 0 H ALA A 96 -2.411 13.158 2.555 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.176 11.225 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.034 11.617 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.579 10.861 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.516 12.599 0.127 1.00 0.00 H new ATOM 1510 N GLN A 97 1.523 13.059 2.131 1.00 0.00 N ATOM 1511 CA GLN A 97 2.497 14.140 2.237 1.00 0.00 C ATOM 1512 C GLN A 97 3.873 13.681 1.767 1.00 0.00 C ATOM 1513 O GLN A 97 4.137 12.483 1.665 1.00 0.00 O ATOM 1514 CB GLN A 97 2.578 14.641 3.680 1.00 0.00 C ATOM 1515 CG GLN A 97 2.603 13.525 4.711 1.00 0.00 C ATOM 1516 CD GLN A 97 1.215 13.124 5.171 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.620 12.155 4.485 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.682 13.680 6.132 1.00 0.00 N flip ATOM 0 H GLN A 97 1.933 12.130 2.036 1.00 0.00 H new ATOM 0 HA GLN A 97 2.168 14.957 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.475 15.250 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.725 15.289 3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.107 12.656 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.189 13.845 5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.175 14.420 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.253 13.400 6.429 1.00 0.00 H new ATOM 1527 N ALA A 98 4.746 14.641 1.481 1.00 0.00 N ATOM 1528 CA ALA A 98 6.096 14.335 1.023 1.00 0.00 C ATOM 1529 C ALA A 98 7.039 14.117 2.201 1.00 0.00 C ATOM 1530 O ALA A 98 7.087 14.926 3.128 1.00 0.00 O ATOM 1531 CB ALA A 98 6.615 15.451 0.129 1.00 0.00 C ATOM 0 H ALA A 98 4.543 15.638 1.558 1.00 0.00 H new ATOM 0 HA ALA A 98 6.057 13.411 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.624 15.210 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.961 15.558 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.632 16.387 0.688 1.00 0.00 H new ATOM 1537 N TRP A 99 7.785 13.019 2.160 1.00 0.00 N ATOM 1538 CA TRP A 99 8.726 12.695 3.226 1.00 0.00 C ATOM 1539 C TRP A 99 10.060 13.400 3.008 1.00 0.00 C ATOM 1540 O TRP A 99 10.461 13.651 1.871 1.00 0.00 O ATOM 1541 CB TRP A 99 8.942 11.182 3.301 1.00 0.00 C ATOM 1542 CG TRP A 99 9.828 10.764 4.435 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.761 11.195 5.729 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.915 9.834 4.375 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.741 10.588 6.478 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.462 9.749 5.671 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.478 9.064 3.354 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.544 8.925 5.969 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.553 8.247 3.652 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.076 8.182 4.950 1.00 0.00 C ATOM 0 H TRP A 99 7.757 12.338 1.401 1.00 0.00 H new ATOM 0 HA TRP A 99 8.302 13.042 4.168 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.975 10.689 3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.377 10.837 2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.044 11.908 6.108 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.905 10.738 7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.081 9.106 2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.949 8.874 6.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.997 7.649 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.916 7.533 5.151 1.00 0.00 H new ATOM 1561 N ASP A 100 10.742 13.718 4.102 1.00 0.00 N ATOM 1562 CA ASP A 100 12.032 14.394 4.030 1.00 0.00 C ATOM 1563 C ASP A 100 13.173 13.420 4.306 1.00 0.00 C ATOM 1564 O ASP A 100 14.003 13.157 3.437 1.00 0.00 O ATOM 1565 CB ASP A 100 12.081 15.553 5.027 1.00 0.00 C ATOM 1566 CG ASP A 100 13.285 16.450 4.814 1.00 0.00 C ATOM 1567 OD1 ASP A 100 13.329 17.148 3.779 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.182 16.455 5.682 1.00 0.00 O ATOM 0 H ASP A 100 10.423 13.518 5.050 1.00 0.00 H new ATOM 0 HA ASP A 100 12.152 14.788 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.170 16.145 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.103 15.155 6.041 1.00 0.00 H new ATOM 1573 N GLY A 101 13.207 12.887 5.524 1.00 0.00 N ATOM 1574 CA GLY A 101 14.251 11.948 5.894 1.00 0.00 C ATOM 1575 C GLY A 101 14.628 12.049 7.359 1.00 0.00 C ATOM 1576 O GLY A 101 15.809 12.107 7.701 1.00 0.00 O ATOM 0 H GLY A 101 12.531 13.088 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.917 10.933 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.134 12.131 5.281 1.00 0.00 H new ATOM 1580 N THR A 102 13.622 12.071 8.227 1.00 0.00 N ATOM 1581 CA THR A 102 13.854 12.168 9.663 1.00 0.00 C ATOM 1582 C THR A 102 13.177 11.023 10.408 1.00 0.00 C ATOM 1583 O THR A 102 13.641 10.595 11.465 1.00 0.00 O ATOM 1584 CB THR A 102 13.339 13.506 10.226 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.364 13.478 11.657 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.924 13.788 9.743 1.00 0.00 C ATOM 0 H THR A 102 12.638 12.023 7.961 1.00 0.00 H new ATOM 0 HA THR A 102 14.932 12.109 9.813 1.00 0.00 H new ATOM 0 HB THR A 102 13.993 14.301 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.037 14.333 12.007 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.582 14.738 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.915 13.839 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.260 12.989 10.075 1.00 0.00 H new ATOM 1594 N THR A 103 12.076 10.528 9.850 1.00 0.00 N ATOM 1595 CA THR A 103 11.335 9.433 10.461 1.00 0.00 C ATOM 1596 C THR A 103 12.170 8.157 10.498 1.00 0.00 C ATOM 1597 O THR A 103 13.036 7.946 9.650 1.00 0.00 O ATOM 1598 CB THR A 103 10.023 9.152 9.706 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.122 8.419 10.545 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.289 8.366 8.431 1.00 0.00 C ATOM 0 H THR A 103 11.678 10.869 8.975 1.00 0.00 H new ATOM 0 HA THR A 103 11.100 9.740 11.480 1.00 0.00 H new ATOM 0 HB THR A 103 9.573 10.108 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.477 7.935 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.347 8.180 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.951 8.939 7.782 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.760 7.415 8.681 1.00 0.00 H new ATOM 1608 N ASP A 104 11.903 7.310 11.486 1.00 0.00 N ATOM 1609 CA ASP A 104 12.629 6.054 11.633 1.00 0.00 C ATOM 1610 C ASP A 104 11.714 4.863 11.363 1.00 0.00 C ATOM 1611 O ASP A 104 11.827 3.822 12.011 1.00 0.00 O ATOM 1612 CB ASP A 104 13.227 5.946 13.036 1.00 0.00 C ATOM 1613 CG ASP A 104 12.181 6.094 14.124 1.00 0.00 C ATOM 1614 OD1 ASP A 104 11.074 5.537 13.963 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.469 6.765 15.136 1.00 0.00 O ATOM 0 H ASP A 104 11.189 7.470 12.197 1.00 0.00 H new ATOM 0 HA ASP A 104 13.437 6.042 10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.724 4.982 13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.990 6.714 13.163 1.00 0.00 H new ATOM 1620 N TYR A 105 10.809 5.024 10.405 1.00 0.00 N ATOM 1621 CA TYR A 105 9.872 3.964 10.052 1.00 0.00 C ATOM 1622 C TYR A 105 10.609 2.745 9.506 1.00 0.00 C ATOM 1623 O TYR A 105 10.546 1.659 10.083 1.00 0.00 O ATOM 1624 CB TYR A 105 8.864 4.469 9.018 1.00 0.00 C ATOM 1625 CG TYR A 105 7.985 5.589 9.527 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.448 5.550 10.808 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.689 6.685 8.726 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.644 6.571 11.277 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.887 7.711 9.187 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.367 7.649 10.463 1.00 0.00 C ATOM 1631 OH TYR A 105 5.566 8.668 10.925 1.00 0.00 O ATOM 0 H TYR A 105 10.704 5.879 9.858 1.00 0.00 H new ATOM 0 HA TYR A 105 9.339 3.669 10.956 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.403 4.814 8.136 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.233 3.638 8.702 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.663 4.707 11.448 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.093 6.736 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.235 6.525 12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.668 8.557 8.552 1.00 0.00 H new ATOM 0 HH TYR A 105 5.471 9.351 10.229 1.00 0.00 H new ATOM 1641 N GLN A 106 11.309 2.934 8.392 1.00 0.00 N ATOM 1642 CA GLN A 106 12.059 1.850 7.768 1.00 0.00 C ATOM 1643 C GLN A 106 13.542 1.948 8.109 1.00 0.00 C ATOM 1644 O GLN A 106 14.227 0.933 8.237 1.00 0.00 O ATOM 1645 CB GLN A 106 11.869 1.878 6.251 1.00 0.00 C ATOM 1646 CG GLN A 106 12.632 2.999 5.563 1.00 0.00 C ATOM 1647 CD GLN A 106 14.055 2.607 5.214 1.00 0.00 C ATOM 1648 OE1 GLN A 106 15.011 3.262 5.630 1.00 0.00 O ATOM 1649 NE2 GLN A 106 14.203 1.534 4.446 1.00 0.00 N ATOM 0 H GLN A 106 11.372 3.827 7.903 1.00 0.00 H new ATOM 0 HA GLN A 106 11.677 0.906 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.190 0.923 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.807 1.982 6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.105 3.287 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.649 3.874 6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.383 1.021 4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.137 1.223 4.179 1.00 0.00 H new ATOM 1658 N SER A 107 14.031 3.175 8.254 1.00 0.00 N ATOM 1659 CA SER A 107 15.435 3.405 8.576 1.00 0.00 C ATOM 1660 C SER A 107 15.927 2.399 9.612 1.00 0.00 C ATOM 1661 O SER A 107 15.180 1.990 10.500 1.00 0.00 O ATOM 1662 CB SER A 107 15.633 4.830 9.098 1.00 0.00 C ATOM 1663 OG SER A 107 17.009 5.121 9.274 1.00 0.00 O ATOM 0 H SER A 107 13.476 4.025 8.154 1.00 0.00 H new ATOM 0 HA SER A 107 16.018 3.275 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.194 5.541 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.108 4.950 10.046 1.00 0.00 H new ATOM 0 HG SER A 107 17.110 6.037 9.606 1.00 0.00 H new ATOM 1669 N GLY A 108 17.190 2.003 9.490 1.00 0.00 N ATOM 1670 CA GLY A 108 17.761 1.048 10.422 1.00 0.00 C ATOM 1671 C GLY A 108 19.224 0.768 10.140 1.00 0.00 C ATOM 1672 O GLY A 108 19.592 -0.308 9.667 1.00 0.00 O ATOM 0 H GLY A 108 17.828 2.326 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.656 1.429 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.199 0.115 10.372 1.00 0.00 H new ATOM 1676 N PRO A 109 20.086 1.752 10.433 1.00 0.00 N ATOM 1677 CA PRO A 109 21.531 1.630 10.216 1.00 0.00 C ATOM 1678 C PRO A 109 22.181 0.642 11.179 1.00 0.00 C ATOM 1679 O PRO A 109 22.451 0.972 12.333 1.00 0.00 O ATOM 1680 CB PRO A 109 22.049 3.047 10.473 1.00 0.00 C ATOM 1681 CG PRO A 109 21.042 3.659 11.385 1.00 0.00 C ATOM 1682 CD PRO A 109 19.718 3.061 11.000 1.00 0.00 C ATOM 0 HA PRO A 109 21.763 1.251 9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 109 23.038 3.030 10.930 1.00 0.00 H new ATOM 0 HB3 PRO A 109 22.137 3.611 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.279 3.445 12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.026 4.744 11.278 1.00 0.00 H new ATOM 0 HD2 PRO A 109 19.059 2.955 11.862 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.194 3.681 10.273 1.00 0.00 H new ATOM 1690 N SER A 110 22.430 -0.571 10.696 1.00 0.00 N ATOM 1691 CA SER A 110 23.045 -1.608 11.515 1.00 0.00 C ATOM 1692 C SER A 110 22.579 -1.504 12.964 1.00 0.00 C ATOM 1693 O SER A 110 23.371 -1.651 13.895 1.00 0.00 O ATOM 1694 CB SER A 110 24.570 -1.503 11.449 1.00 0.00 C ATOM 1695 OG SER A 110 25.037 -1.686 10.124 1.00 0.00 O ATOM 0 H SER A 110 22.215 -0.859 9.742 1.00 0.00 H new ATOM 0 HA SER A 110 22.737 -2.577 11.121 1.00 0.00 H new ATOM 0 HB2 SER A 110 24.887 -0.528 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 110 25.018 -2.252 12.102 1.00 0.00 H new ATOM 0 HG SER A 110 26.014 -1.613 10.108 1.00 0.00 H new ATOM 1701 N SER A 111 21.287 -1.249 13.147 1.00 0.00 N ATOM 1702 CA SER A 111 20.714 -1.121 14.482 1.00 0.00 C ATOM 1703 C SER A 111 20.306 -2.484 15.031 1.00 0.00 C ATOM 1704 O SER A 111 19.135 -2.856 14.992 1.00 0.00 O ATOM 1705 CB SER A 111 19.503 -0.187 14.452 1.00 0.00 C ATOM 1706 OG SER A 111 19.188 0.281 15.752 1.00 0.00 O ATOM 0 H SER A 111 20.617 -1.127 12.387 1.00 0.00 H new ATOM 0 HA SER A 111 21.474 -0.698 15.138 1.00 0.00 H new ATOM 0 HB2 SER A 111 19.709 0.660 13.797 1.00 0.00 H new ATOM 0 HB3 SER A 111 18.645 -0.712 14.033 1.00 0.00 H new ATOM 0 HG SER A 111 18.412 0.877 15.706 1.00 0.00 H new ATOM 1712 N GLY A 112 21.284 -3.226 15.543 1.00 0.00 N ATOM 1713 CA GLY A 112 21.008 -4.540 16.093 1.00 0.00 C ATOM 1714 C GLY A 112 21.964 -4.914 17.209 1.00 0.00 C ATOM 1715 O GLY A 112 22.099 -6.088 17.551 1.00 0.00 O ATOM 0 H GLY A 112 22.262 -2.940 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 112 19.986 -4.565 16.471 1.00 0.00 H new ATOM 0 HA3 GLY A 112 21.073 -5.284 15.299 1.00 0.00 H new TER 1719 GLY A 112