USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 21 MET CE :methyl -161:sc= -6.71! (180deg=-7.71!) USER MOD Set 1.2: A 47 MET CE :methyl 156:sc= -3.26 (180deg=-3.43!) 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 36:sc= 0.654 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0207 (180deg=-0.163) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0257) USER MOD Single : A 15 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.16) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0307) USER MOD Single : A 27 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 29 THR OG1 : rot -76:sc= 0.296 USER MOD Single : A 31 MET CE :methyl -104:sc= -0.0796 (180deg=-2.44) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -8.03! C(o=-8!,f=-14!) USER MOD Single : A 46 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.1!) USER MOD Single : A 48 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.4!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 53 MET CE :methyl 174:sc= 0 (180deg=-0.0559) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00677) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-2) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.0953 (180deg=-0.291) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00989 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.569 -12.547 14.357 1.00 0.00 N ATOM 2 CA GLY A 1 5.044 -11.542 15.262 1.00 0.00 C ATOM 3 C GLY A 1 6.132 -10.867 16.074 1.00 0.00 C ATOM 4 O GLY A 1 6.296 -11.150 17.261 1.00 0.00 O ATOM 0 H1 GLY A 1 4.786 -12.979 13.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.235 -12.102 13.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.063 -13.282 14.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.503 -10.789 14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.326 -12.006 15.938 1.00 0.00 H new ATOM 8 N SER A 2 6.878 -9.974 15.433 1.00 0.00 N ATOM 9 CA SER A 2 7.960 -9.261 16.102 1.00 0.00 C ATOM 10 C SER A 2 7.680 -7.762 16.142 1.00 0.00 C ATOM 11 O SER A 2 7.047 -7.213 15.240 1.00 0.00 O ATOM 12 CB SER A 2 9.289 -9.524 15.391 1.00 0.00 C ATOM 13 OG SER A 2 10.327 -8.730 15.939 1.00 0.00 O ATOM 0 H SER A 2 6.753 -9.727 14.451 1.00 0.00 H new ATOM 0 HA SER A 2 8.025 -9.628 17.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.549 -10.579 15.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.185 -9.308 14.328 1.00 0.00 H new ATOM 0 HG SER A 2 11.166 -8.918 15.469 1.00 0.00 H new ATOM 19 N SER A 3 8.157 -7.105 17.195 1.00 0.00 N ATOM 20 CA SER A 3 7.955 -5.670 17.356 1.00 0.00 C ATOM 21 C SER A 3 9.251 -4.982 17.774 1.00 0.00 C ATOM 22 O SER A 3 10.248 -5.640 18.070 1.00 0.00 O ATOM 23 CB SER A 3 6.863 -5.400 18.393 1.00 0.00 C ATOM 24 OG SER A 3 6.272 -4.128 18.193 1.00 0.00 O ATOM 0 H SER A 3 8.686 -7.544 17.949 1.00 0.00 H new ATOM 0 HA SER A 3 7.642 -5.262 16.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.098 -6.174 18.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.288 -5.453 19.395 1.00 0.00 H new ATOM 0 HG SER A 3 5.576 -3.981 18.867 1.00 0.00 H new ATOM 30 N GLY A 4 9.229 -3.653 17.795 1.00 0.00 N ATOM 31 CA GLY A 4 10.407 -2.897 18.178 1.00 0.00 C ATOM 32 C GLY A 4 11.085 -2.240 16.992 1.00 0.00 C ATOM 33 O GLY A 4 12.267 -2.469 16.739 1.00 0.00 O ATOM 0 H GLY A 4 8.416 -3.086 17.554 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.125 -2.132 18.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.115 -3.560 18.676 1.00 0.00 H new ATOM 37 N SER A 5 10.333 -1.422 16.262 1.00 0.00 N ATOM 38 CA SER A 5 10.867 -0.733 15.092 1.00 0.00 C ATOM 39 C SER A 5 10.803 0.780 15.276 1.00 0.00 C ATOM 40 O SER A 5 9.733 1.343 15.508 1.00 0.00 O ATOM 41 CB SER A 5 10.092 -1.139 13.837 1.00 0.00 C ATOM 42 OG SER A 5 10.575 -2.365 13.314 1.00 0.00 O ATOM 0 H SER A 5 9.353 -1.220 16.460 1.00 0.00 H new ATOM 0 HA SER A 5 11.911 -1.023 14.975 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.032 -1.234 14.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.181 -0.358 13.082 1.00 0.00 H new ATOM 0 HG SER A 5 10.063 -2.604 12.513 1.00 0.00 H new ATOM 48 N SER A 6 11.956 1.432 15.171 1.00 0.00 N ATOM 49 CA SER A 6 12.033 2.880 15.329 1.00 0.00 C ATOM 50 C SER A 6 12.293 3.560 13.988 1.00 0.00 C ATOM 51 O SER A 6 13.392 3.479 13.441 1.00 0.00 O ATOM 52 CB SER A 6 13.136 3.247 16.323 1.00 0.00 C ATOM 53 OG SER A 6 14.397 2.770 15.885 1.00 0.00 O ATOM 0 H SER A 6 12.850 0.981 14.977 1.00 0.00 H new ATOM 0 HA SER A 6 11.075 3.231 15.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.175 4.330 16.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.904 2.825 17.301 1.00 0.00 H new ATOM 0 HG SER A 6 14.453 2.842 14.909 1.00 0.00 H new ATOM 59 N GLY A 7 11.272 4.231 13.464 1.00 0.00 N ATOM 60 CA GLY A 7 11.409 4.916 12.192 1.00 0.00 C ATOM 61 C GLY A 7 11.271 6.420 12.325 1.00 0.00 C ATOM 62 O GLY A 7 10.719 6.915 13.307 1.00 0.00 O ATOM 0 H GLY A 7 10.352 4.312 13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.381 4.680 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.653 4.545 11.500 1.00 0.00 H new ATOM 66 N GLY A 8 11.776 7.149 11.335 1.00 0.00 N ATOM 67 CA GLY A 8 11.698 8.598 11.366 1.00 0.00 C ATOM 68 C GLY A 8 11.822 9.215 9.987 1.00 0.00 C ATOM 69 O GLY A 8 11.498 8.579 8.984 1.00 0.00 O ATOM 0 H GLY A 8 12.238 6.762 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.749 8.898 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.488 8.988 12.007 1.00 0.00 H new ATOM 73 N MET A 9 12.290 10.457 9.936 1.00 0.00 N ATOM 74 CA MET A 9 12.454 11.160 8.669 1.00 0.00 C ATOM 75 C MET A 9 13.897 11.621 8.486 1.00 0.00 C ATOM 76 O MET A 9 14.205 12.805 8.630 1.00 0.00 O ATOM 77 CB MET A 9 11.510 12.362 8.602 1.00 0.00 C ATOM 78 CG MET A 9 11.499 13.198 9.871 1.00 0.00 C ATOM 79 SD MET A 9 10.459 12.488 11.162 1.00 0.00 S ATOM 80 CE MET A 9 10.814 13.590 12.528 1.00 0.00 C ATOM 0 H MET A 9 12.562 10.998 10.757 1.00 0.00 H new ATOM 0 HA MET A 9 12.207 10.468 7.864 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.799 12.994 7.763 1.00 0.00 H new ATOM 0 HB3 MET A 9 10.499 12.008 8.401 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.518 13.298 10.245 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.146 14.202 9.637 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.243 13.280 13.403 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.879 13.554 12.757 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.536 14.608 12.256 1.00 0.00 H new ATOM 90 N LYS A 10 14.779 10.679 8.169 1.00 0.00 N ATOM 91 CA LYS A 10 16.189 10.988 7.965 1.00 0.00 C ATOM 92 C LYS A 10 16.433 11.511 6.554 1.00 0.00 C ATOM 93 O LYS A 10 15.977 10.922 5.573 1.00 0.00 O ATOM 94 CB LYS A 10 17.046 9.744 8.215 1.00 0.00 C ATOM 95 CG LYS A 10 17.508 9.604 9.654 1.00 0.00 C ATOM 96 CD LYS A 10 16.431 8.985 10.529 1.00 0.00 C ATOM 97 CE LYS A 10 15.535 10.049 11.146 1.00 0.00 C ATOM 98 NZ LYS A 10 16.237 10.812 12.215 1.00 0.00 N ATOM 0 H LYS A 10 14.542 9.694 8.048 1.00 0.00 H new ATOM 0 HA LYS A 10 16.471 11.765 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.475 8.858 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.919 9.778 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.406 8.987 9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.778 10.584 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.827 8.299 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.897 8.397 11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.199 10.736 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.644 9.578 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.538 11.314 12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.779 10.155 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.885 11.501 11.782 1.00 0.00 H new ATOM 112 N THR A 11 17.158 12.622 6.456 1.00 0.00 N ATOM 113 CA THR A 11 17.463 13.224 5.164 1.00 0.00 C ATOM 114 C THR A 11 18.968 13.376 4.970 1.00 0.00 C ATOM 115 O THR A 11 19.577 14.316 5.479 1.00 0.00 O ATOM 116 CB THR A 11 16.797 14.605 5.017 1.00 0.00 C ATOM 117 OG1 THR A 11 15.404 14.513 5.338 1.00 0.00 O ATOM 118 CG2 THR A 11 16.962 15.137 3.602 1.00 0.00 C ATOM 0 H THR A 11 17.545 13.123 7.256 1.00 0.00 H new ATOM 0 HA THR A 11 17.066 12.554 4.401 1.00 0.00 H new ATOM 0 HB THR A 11 17.284 15.295 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.988 15.395 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.484 16.113 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.023 15.233 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.498 14.447 2.897 1.00 0.00 H new ATOM 126 N SER A 12 19.561 12.444 4.230 1.00 0.00 N ATOM 127 CA SER A 12 20.995 12.473 3.971 1.00 0.00 C ATOM 128 C SER A 12 21.285 12.244 2.491 1.00 0.00 C ATOM 129 O SER A 12 20.596 11.473 1.824 1.00 0.00 O ATOM 130 CB SER A 12 21.708 11.412 4.812 1.00 0.00 C ATOM 131 OG SER A 12 21.264 10.110 4.473 1.00 0.00 O ATOM 0 H SER A 12 19.070 11.660 3.800 1.00 0.00 H new ATOM 0 HA SER A 12 21.369 13.459 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.785 11.484 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.524 11.598 5.870 1.00 0.00 H new ATOM 0 HG SER A 12 21.736 9.450 5.023 1.00 0.00 H new ATOM 137 N GLY A 13 22.311 12.921 1.983 1.00 0.00 N ATOM 138 CA GLY A 13 22.675 12.778 0.586 1.00 0.00 C ATOM 139 C GLY A 13 23.566 11.577 0.338 1.00 0.00 C ATOM 140 O GLY A 13 24.527 11.655 -0.427 1.00 0.00 O ATOM 0 H GLY A 13 22.896 13.566 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 13 21.770 12.685 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 23.187 13.681 0.253 1.00 0.00 H new ATOM 144 N LYS A 14 23.248 10.463 0.987 1.00 0.00 N ATOM 145 CA LYS A 14 24.026 9.239 0.834 1.00 0.00 C ATOM 146 C LYS A 14 23.169 8.117 0.258 1.00 0.00 C ATOM 147 O LYS A 14 21.945 8.230 0.195 1.00 0.00 O ATOM 148 CB LYS A 14 24.608 8.809 2.183 1.00 0.00 C ATOM 149 CG LYS A 14 25.808 9.633 2.618 1.00 0.00 C ATOM 150 CD LYS A 14 26.700 8.858 3.572 1.00 0.00 C ATOM 151 CE LYS A 14 27.517 7.804 2.839 1.00 0.00 C ATOM 152 NZ LYS A 14 28.654 8.406 2.089 1.00 0.00 N ATOM 0 H LYS A 14 22.456 10.382 1.625 1.00 0.00 H new ATOM 0 HA LYS A 14 24.842 9.441 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.832 8.883 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 14 24.899 7.760 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 14 26.383 9.931 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.466 10.549 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 14 27.370 9.547 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 14 26.088 8.379 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.899 7.077 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.873 7.261 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 29.254 7.650 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 28.286 8.989 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 29.217 9.000 2.730 1.00 0.00 H new ATOM 166 N GLN A 15 23.819 7.036 -0.160 1.00 0.00 N ATOM 167 CA GLN A 15 23.115 5.894 -0.731 1.00 0.00 C ATOM 168 C GLN A 15 22.581 4.980 0.367 1.00 0.00 C ATOM 169 O GLN A 15 23.220 3.993 0.731 1.00 0.00 O ATOM 170 CB GLN A 15 24.042 5.108 -1.659 1.00 0.00 C ATOM 171 CG GLN A 15 24.502 5.900 -2.873 1.00 0.00 C ATOM 172 CD GLN A 15 25.744 6.723 -2.596 1.00 0.00 C ATOM 173 OE1 GLN A 15 26.853 6.191 -2.524 1.00 0.00 O ATOM 174 NE2 GLN A 15 25.566 8.030 -2.438 1.00 0.00 N ATOM 0 H GLN A 15 24.832 6.927 -0.114 1.00 0.00 H new ATOM 0 HA GLN A 15 22.271 6.271 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 15 24.916 4.783 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.527 4.208 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 15 24.702 5.213 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.698 6.561 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 15 24.630 8.429 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 15 26.366 8.634 -2.249 1.00 0.00 H new ATOM 183 N ASP A 16 21.408 5.316 0.891 1.00 0.00 N ATOM 184 CA ASP A 16 20.787 4.525 1.947 1.00 0.00 C ATOM 185 C ASP A 16 19.556 3.791 1.425 1.00 0.00 C ATOM 186 O ASP A 16 19.130 4.005 0.291 1.00 0.00 O ATOM 187 CB ASP A 16 20.401 5.421 3.125 1.00 0.00 C ATOM 188 CG ASP A 16 21.604 5.873 3.928 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.438 5.013 4.283 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.713 7.086 4.201 1.00 0.00 O ATOM 0 H ASP A 16 20.867 6.131 0.602 1.00 0.00 H new ATOM 0 HA ASP A 16 21.512 3.785 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.867 6.295 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.714 4.882 3.778 1.00 0.00 H new ATOM 195 N GLU A 17 18.991 2.924 2.260 1.00 0.00 N ATOM 196 CA GLU A 17 17.810 2.158 1.881 1.00 0.00 C ATOM 197 C GLU A 17 16.535 2.870 2.321 1.00 0.00 C ATOM 198 O GLU A 17 15.528 2.857 1.613 1.00 0.00 O ATOM 199 CB GLU A 17 17.864 0.758 2.497 1.00 0.00 C ATOM 200 CG GLU A 17 16.987 -0.256 1.782 1.00 0.00 C ATOM 201 CD GLU A 17 17.284 -1.683 2.201 1.00 0.00 C ATOM 202 OE1 GLU A 17 16.824 -2.090 3.287 1.00 0.00 O ATOM 203 OE2 GLU A 17 17.977 -2.392 1.441 1.00 0.00 O ATOM 0 H GLU A 17 19.332 2.735 3.203 1.00 0.00 H new ATOM 0 HA GLU A 17 17.799 2.069 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.895 0.405 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.558 0.818 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.940 -0.032 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.131 -0.160 0.706 1.00 0.00 H new ATOM 210 N ALA A 18 16.585 3.491 3.495 1.00 0.00 N ATOM 211 CA ALA A 18 15.436 4.210 4.029 1.00 0.00 C ATOM 212 C ALA A 18 14.811 5.111 2.970 1.00 0.00 C ATOM 213 O ALA A 18 13.598 5.092 2.762 1.00 0.00 O ATOM 214 CB ALA A 18 15.843 5.027 5.247 1.00 0.00 C ATOM 0 H ALA A 18 17.410 3.510 4.094 1.00 0.00 H new ATOM 0 HA ALA A 18 14.689 3.476 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.974 5.559 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.235 4.362 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.611 5.746 4.963 1.00 0.00 H new ATOM 220 N TRP A 19 15.646 5.900 2.304 1.00 0.00 N ATOM 221 CA TRP A 19 15.175 6.809 1.266 1.00 0.00 C ATOM 222 C TRP A 19 14.533 6.039 0.117 1.00 0.00 C ATOM 223 O TRP A 19 13.572 6.506 -0.495 1.00 0.00 O ATOM 224 CB TRP A 19 16.332 7.661 0.741 1.00 0.00 C ATOM 225 CG TRP A 19 17.169 6.958 -0.285 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.422 6.443 -0.107 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.814 6.695 -1.647 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.867 5.876 -1.277 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.899 6.016 -2.236 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.685 6.964 -2.425 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.886 5.607 -3.567 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.674 6.557 -3.745 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.768 5.884 -4.305 1.00 0.00 C ATOM 0 H TRP A 19 16.653 5.929 2.464 1.00 0.00 H new ATOM 0 HA TRP A 19 14.422 7.463 1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.931 8.577 0.307 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.966 7.955 1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.980 6.477 0.817 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.772 5.424 -1.410 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.836 7.481 -2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.729 5.089 -4.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.807 6.761 -4.356 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.728 5.578 -5.340 1.00 0.00 H new ATOM 244 N ILE A 20 15.069 4.857 -0.170 1.00 0.00 N ATOM 245 CA ILE A 20 14.546 4.022 -1.244 1.00 0.00 C ATOM 246 C ILE A 20 13.123 3.566 -0.943 1.00 0.00 C ATOM 247 O ILE A 20 12.245 3.629 -1.803 1.00 0.00 O ATOM 248 CB ILE A 20 15.432 2.784 -1.476 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.833 3.208 -1.922 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.797 1.865 -2.509 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.821 2.065 -1.978 1.00 0.00 C ATOM 0 H ILE A 20 15.865 4.456 0.326 1.00 0.00 H new ATOM 0 HA ILE A 20 14.545 4.633 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 20 15.520 2.238 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.768 3.670 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.209 3.969 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.435 0.994 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.819 1.540 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.682 2.401 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.792 2.439 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.916 1.617 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.468 1.313 -2.684 1.00 0.00 H new ATOM 263 N MET A 21 12.901 3.109 0.285 1.00 0.00 N ATOM 264 CA MET A 21 11.583 2.644 0.701 1.00 0.00 C ATOM 265 C MET A 21 10.484 3.496 0.074 1.00 0.00 C ATOM 266 O MET A 21 9.493 2.971 -0.434 1.00 0.00 O ATOM 267 CB MET A 21 11.464 2.680 2.226 1.00 0.00 C ATOM 268 CG MET A 21 10.048 2.450 2.731 1.00 0.00 C ATOM 269 SD MET A 21 9.200 1.131 1.841 1.00 0.00 S ATOM 270 CE MET A 21 8.697 0.076 3.199 1.00 0.00 C ATOM 0 H MET A 21 13.617 3.051 1.009 1.00 0.00 H new ATOM 0 HA MET A 21 11.463 1.616 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.120 1.921 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.817 3.646 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.080 2.205 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.477 3.374 2.635 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.470 -0.921 2.821 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.504 0.012 3.928 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.810 0.494 3.675 1.00 0.00 H new ATOM 280 N SER A 22 10.666 4.812 0.112 1.00 0.00 N ATOM 281 CA SER A 22 9.687 5.736 -0.450 1.00 0.00 C ATOM 282 C SER A 22 9.395 5.397 -1.908 1.00 0.00 C ATOM 283 O SER A 22 8.237 5.300 -2.314 1.00 0.00 O ATOM 284 CB SER A 22 10.193 7.176 -0.340 1.00 0.00 C ATOM 285 OG SER A 22 9.392 8.057 -1.109 1.00 0.00 O ATOM 0 H SER A 22 11.482 5.263 0.526 1.00 0.00 H new ATOM 0 HA SER A 22 8.763 5.639 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.185 7.489 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.227 7.229 -0.680 1.00 0.00 H new ATOM 0 HG SER A 22 9.734 8.971 -1.021 1.00 0.00 H new ATOM 291 N ARG A 23 10.454 5.218 -2.691 1.00 0.00 N ATOM 292 CA ARG A 23 10.312 4.891 -4.105 1.00 0.00 C ATOM 293 C ARG A 23 9.137 3.944 -4.329 1.00 0.00 C ATOM 294 O ARG A 23 8.244 4.224 -5.130 1.00 0.00 O ATOM 295 CB ARG A 23 11.600 4.257 -4.635 1.00 0.00 C ATOM 296 CG ARG A 23 12.757 5.235 -4.751 1.00 0.00 C ATOM 297 CD ARG A 23 13.722 4.829 -5.854 1.00 0.00 C ATOM 298 NE ARG A 23 13.331 5.374 -7.151 1.00 0.00 N ATOM 299 CZ ARG A 23 13.960 5.091 -8.287 1.00 0.00 C ATOM 300 NH1 ARG A 23 15.002 4.273 -8.285 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.544 5.627 -9.427 1.00 0.00 N ATOM 0 H ARG A 23 11.419 5.294 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 23 10.119 5.816 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.891 3.440 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.404 3.821 -5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.371 6.234 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.289 5.285 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.725 5.174 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.765 3.742 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 23 12.532 6.006 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.323 3.859 -7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.483 4.058 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.741 6.256 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.027 5.410 -10.299 1.00 0.00 H new ATOM 315 N LEU A 24 9.143 2.823 -3.617 1.00 0.00 N ATOM 316 CA LEU A 24 8.078 1.833 -3.737 1.00 0.00 C ATOM 317 C LEU A 24 6.745 2.408 -3.267 1.00 0.00 C ATOM 318 O LEU A 24 5.692 2.091 -3.820 1.00 0.00 O ATOM 319 CB LEU A 24 8.422 0.583 -2.927 1.00 0.00 C ATOM 320 CG LEU A 24 9.838 0.035 -3.106 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.187 -0.922 -1.977 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.977 -0.654 -4.455 1.00 0.00 C ATOM 0 H LEU A 24 9.874 2.576 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 24 7.985 1.561 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.271 0.806 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.714 -0.203 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 24 10.537 0.871 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.198 -1.302 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.129 -0.397 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.484 -1.755 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.991 -1.038 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.268 -1.480 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.771 0.061 -5.252 1.00 0.00 H new ATOM 334 N ILE A 25 6.800 3.255 -2.245 1.00 0.00 N ATOM 335 CA ILE A 25 5.598 3.876 -1.702 1.00 0.00 C ATOM 336 C ILE A 25 4.951 4.805 -2.724 1.00 0.00 C ATOM 337 O ILE A 25 3.726 4.911 -2.795 1.00 0.00 O ATOM 338 CB ILE A 25 5.905 4.674 -0.421 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.699 3.813 0.564 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.616 5.167 0.217 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.827 2.977 1.474 1.00 0.00 C ATOM 0 H ILE A 25 7.664 3.527 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 25 4.907 3.068 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 25 6.510 5.541 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.363 3.154 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.330 4.460 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.849 5.729 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.086 5.812 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.987 4.314 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.457 2.393 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.181 3.631 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.214 2.304 0.874 1.00 0.00 H new ATOM 353 N LYS A 26 5.782 5.476 -3.514 1.00 0.00 N ATOM 354 CA LYS A 26 5.292 6.395 -4.535 1.00 0.00 C ATOM 355 C LYS A 26 4.314 5.695 -5.474 1.00 0.00 C ATOM 356 O LYS A 26 3.247 6.225 -5.780 1.00 0.00 O ATOM 357 CB LYS A 26 6.462 6.970 -5.337 1.00 0.00 C ATOM 358 CG LYS A 26 6.091 8.187 -6.166 1.00 0.00 C ATOM 359 CD LYS A 26 7.325 8.956 -6.610 1.00 0.00 C ATOM 360 CE LYS A 26 6.950 10.212 -7.382 1.00 0.00 C ATOM 361 NZ LYS A 26 6.373 11.258 -6.493 1.00 0.00 N ATOM 0 H LYS A 26 6.798 5.401 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 26 4.768 7.209 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.265 7.239 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.854 6.197 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.522 7.873 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.443 8.842 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.919 9.228 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.949 8.316 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.834 10.608 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.230 9.959 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.256 12.142 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.447 10.942 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.012 11.421 -5.689 1.00 0.00 H new ATOM 375 N GLN A 27 4.686 4.502 -5.925 1.00 0.00 N ATOM 376 CA GLN A 27 3.841 3.730 -6.828 1.00 0.00 C ATOM 377 C GLN A 27 2.457 3.513 -6.226 1.00 0.00 C ATOM 378 O GLN A 27 1.441 3.676 -6.903 1.00 0.00 O ATOM 379 CB GLN A 27 4.491 2.381 -7.141 1.00 0.00 C ATOM 380 CG GLN A 27 5.728 2.490 -8.018 1.00 0.00 C ATOM 381 CD GLN A 27 5.455 3.209 -9.324 1.00 0.00 C ATOM 382 OE1 GLN A 27 5.948 4.315 -9.552 1.00 0.00 O ATOM 383 NE2 GLN A 27 4.667 2.584 -10.191 1.00 0.00 N ATOM 0 H GLN A 27 5.566 4.049 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 27 3.730 4.295 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.761 1.892 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.760 1.741 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.510 3.019 -7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.108 1.491 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.280 1.669 -9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.448 3.019 -11.087 1.00 0.00 H new ATOM 392 N LEU A 28 2.423 3.145 -4.950 1.00 0.00 N ATOM 393 CA LEU A 28 1.163 2.905 -4.255 1.00 0.00 C ATOM 394 C LEU A 28 0.401 4.209 -4.044 1.00 0.00 C ATOM 395 O LEU A 28 -0.737 4.357 -4.491 1.00 0.00 O ATOM 396 CB LEU A 28 1.421 2.228 -2.908 1.00 0.00 C ATOM 397 CG LEU A 28 1.479 0.700 -2.925 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.486 0.215 -3.956 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.827 0.164 -1.544 1.00 0.00 C ATOM 0 H LEU A 28 3.254 3.006 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 28 0.555 2.246 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.364 2.603 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.638 2.534 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 28 0.495 0.322 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.513 -0.875 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.193 0.568 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.474 0.603 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.864 -0.925 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.799 0.551 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.068 0.481 -0.829 1.00 0.00 H new ATOM 411 N THR A 29 1.037 5.156 -3.361 1.00 0.00 N ATOM 412 CA THR A 29 0.420 6.449 -3.091 1.00 0.00 C ATOM 413 C THR A 29 -0.178 7.048 -4.358 1.00 0.00 C ATOM 414 O THR A 29 -1.074 7.890 -4.296 1.00 0.00 O ATOM 415 CB THR A 29 1.436 7.443 -2.497 1.00 0.00 C ATOM 416 OG1 THR A 29 2.658 7.398 -3.242 1.00 0.00 O ATOM 417 CG2 THR A 29 1.715 7.124 -1.036 1.00 0.00 C ATOM 0 H THR A 29 1.979 5.052 -2.985 1.00 0.00 H new ATOM 0 HA THR A 29 -0.374 6.275 -2.365 1.00 0.00 H new ATOM 0 HB THR A 29 1.010 8.444 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.156 6.587 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.435 7.839 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.788 7.188 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.122 6.116 -0.955 1.00 0.00 H new ATOM 425 N ASP A 30 0.322 6.608 -5.508 1.00 0.00 N ATOM 426 CA ASP A 30 -0.165 7.100 -6.792 1.00 0.00 C ATOM 427 C ASP A 30 -1.485 6.432 -7.164 1.00 0.00 C ATOM 428 O ASP A 30 -2.339 7.039 -7.810 1.00 0.00 O ATOM 429 CB ASP A 30 0.874 6.850 -7.885 1.00 0.00 C ATOM 430 CG ASP A 30 1.862 7.992 -8.017 1.00 0.00 C ATOM 431 OD1 ASP A 30 1.427 9.162 -7.965 1.00 0.00 O ATOM 432 OD2 ASP A 30 3.070 7.717 -8.174 1.00 0.00 O ATOM 0 H ASP A 30 1.064 5.912 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.334 8.173 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.415 5.930 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.366 6.701 -8.838 1.00 0.00 H new ATOM 437 N MET A 31 -1.644 5.178 -6.754 1.00 0.00 N ATOM 438 CA MET A 31 -2.860 4.427 -7.045 1.00 0.00 C ATOM 439 C MET A 31 -4.034 4.955 -6.227 1.00 0.00 C ATOM 440 O MET A 31 -4.930 5.609 -6.760 1.00 0.00 O ATOM 441 CB MET A 31 -2.649 2.940 -6.754 1.00 0.00 C ATOM 442 CG MET A 31 -2.106 2.159 -7.940 1.00 0.00 C ATOM 443 SD MET A 31 -1.929 0.399 -7.591 1.00 0.00 S ATOM 444 CE MET A 31 -0.176 0.300 -7.236 1.00 0.00 C ATOM 0 H MET A 31 -0.946 4.660 -6.219 1.00 0.00 H new ATOM 0 HA MET A 31 -3.091 4.554 -8.103 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.960 2.837 -5.915 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.597 2.501 -6.444 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.772 2.291 -8.793 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.137 2.568 -8.226 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.344 -0.137 -8.089 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.214 1.300 -7.047 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.018 -0.323 -6.356 1.00 0.00 H new ATOM 454 N GLY A 32 -4.023 4.667 -4.929 1.00 0.00 N ATOM 455 CA GLY A 32 -5.092 5.121 -4.059 1.00 0.00 C ATOM 456 C GLY A 32 -4.955 4.590 -2.646 1.00 0.00 C ATOM 457 O GLY A 32 -5.941 4.185 -2.029 1.00 0.00 O ATOM 0 H GLY A 32 -3.293 4.127 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.099 6.211 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.050 4.805 -4.471 1.00 0.00 H new ATOM 461 N PHE A 33 -3.730 4.589 -2.132 1.00 0.00 N ATOM 462 CA PHE A 33 -3.466 4.100 -0.784 1.00 0.00 C ATOM 463 C PHE A 33 -2.463 4.998 -0.066 1.00 0.00 C ATOM 464 O PHE A 33 -1.523 5.523 -0.664 1.00 0.00 O ATOM 465 CB PHE A 33 -2.940 2.665 -0.832 1.00 0.00 C ATOM 466 CG PHE A 33 -3.587 1.824 -1.896 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.886 1.368 -1.742 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.896 1.492 -3.050 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.483 0.594 -2.718 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.489 0.718 -4.031 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.784 0.270 -3.865 1.00 0.00 C ATOM 0 H PHE A 33 -2.904 4.922 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.404 4.117 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.864 2.687 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.100 2.195 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.438 1.620 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.883 1.841 -3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.495 0.242 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.940 0.465 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.250 -0.333 -4.630 1.00 0.00 H new ATOM 481 N PRO A 34 -2.665 5.180 1.247 1.00 0.00 N ATOM 482 CA PRO A 34 -1.789 6.014 2.075 1.00 0.00 C ATOM 483 C PRO A 34 -0.413 5.389 2.275 1.00 0.00 C ATOM 484 O PRO A 34 -0.203 4.215 1.968 1.00 0.00 O ATOM 485 CB PRO A 34 -2.536 6.098 3.409 1.00 0.00 C ATOM 486 CG PRO A 34 -3.378 4.869 3.450 1.00 0.00 C ATOM 487 CD PRO A 34 -3.765 4.585 2.025 1.00 0.00 C ATOM 0 HA PRO A 34 -1.597 6.984 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.843 6.131 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.147 6.999 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.827 4.032 3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.261 5.021 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.856 3.515 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.725 5.035 1.772 1.00 0.00 H new ATOM 495 N ARG A 35 0.522 6.180 2.790 1.00 0.00 N ATOM 496 CA ARG A 35 1.879 5.704 3.030 1.00 0.00 C ATOM 497 C ARG A 35 1.942 4.853 4.295 1.00 0.00 C ATOM 498 O ARG A 35 2.771 3.951 4.406 1.00 0.00 O ATOM 499 CB ARG A 35 2.844 6.886 3.149 1.00 0.00 C ATOM 500 CG ARG A 35 2.494 7.846 4.274 1.00 0.00 C ATOM 501 CD ARG A 35 3.386 9.077 4.253 1.00 0.00 C ATOM 502 NE ARG A 35 3.475 9.711 5.566 1.00 0.00 N ATOM 503 CZ ARG A 35 4.194 10.802 5.808 1.00 0.00 C ATOM 504 NH1 ARG A 35 4.882 11.377 4.831 1.00 0.00 N ATOM 505 NH2 ARG A 35 4.225 11.320 7.029 1.00 0.00 N ATOM 0 H ARG A 35 0.365 7.154 3.049 1.00 0.00 H new ATOM 0 HA ARG A 35 2.175 5.086 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.853 6.506 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.854 7.433 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.451 8.149 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.596 7.338 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.384 8.796 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.997 9.794 3.530 1.00 0.00 H new ATOM 0 HE ARG A 35 2.957 9.294 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.860 10.982 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.433 12.214 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.697 10.881 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.777 12.157 7.214 1.00 0.00 H new ATOM 519 N GLU A 36 1.060 5.149 5.245 1.00 0.00 N ATOM 520 CA GLU A 36 1.017 4.411 6.502 1.00 0.00 C ATOM 521 C GLU A 36 1.169 2.913 6.259 1.00 0.00 C ATOM 522 O GLU A 36 2.150 2.289 6.664 1.00 0.00 O ATOM 523 CB GLU A 36 -0.296 4.689 7.237 1.00 0.00 C ATOM 524 CG GLU A 36 -0.188 5.784 8.285 1.00 0.00 C ATOM 525 CD GLU A 36 -0.315 7.174 7.692 1.00 0.00 C ATOM 526 OE1 GLU A 36 -1.392 7.488 7.145 1.00 0.00 O ATOM 527 OE2 GLU A 36 0.663 7.946 7.775 1.00 0.00 O ATOM 0 H GLU A 36 0.367 5.893 5.168 1.00 0.00 H new ATOM 0 HA GLU A 36 1.850 4.747 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.058 4.969 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.635 3.771 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.965 5.641 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.770 5.698 8.798 1.00 0.00 H new ATOM 534 N PRO A 37 0.175 2.319 5.582 1.00 0.00 N ATOM 535 CA PRO A 37 0.175 0.887 5.269 1.00 0.00 C ATOM 536 C PRO A 37 1.231 0.519 4.233 1.00 0.00 C ATOM 537 O PRO A 37 2.022 -0.401 4.439 1.00 0.00 O ATOM 538 CB PRO A 37 -1.229 0.646 4.709 1.00 0.00 C ATOM 539 CG PRO A 37 -1.656 1.970 4.174 1.00 0.00 C ATOM 540 CD PRO A 37 -1.025 3.001 5.068 1.00 0.00 C ATOM 0 HA PRO A 37 0.411 0.280 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.218 -0.112 3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.910 0.294 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.330 2.097 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.742 2.061 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.768 3.906 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.695 3.297 5.875 1.00 0.00 H new ATOM 548 N ALA A 38 1.240 1.245 3.120 1.00 0.00 N ATOM 549 CA ALA A 38 2.201 0.997 2.053 1.00 0.00 C ATOM 550 C ALA A 38 3.602 0.783 2.616 1.00 0.00 C ATOM 551 O ALA A 38 4.413 0.066 2.030 1.00 0.00 O ATOM 552 CB ALA A 38 2.199 2.151 1.061 1.00 0.00 C ATOM 0 H ALA A 38 0.592 2.010 2.934 1.00 0.00 H new ATOM 0 HA ALA A 38 1.903 0.086 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.922 1.952 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.205 2.256 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.469 3.073 1.575 1.00 0.00 H new ATOM 558 N GLU A 39 3.880 1.409 3.755 1.00 0.00 N ATOM 559 CA GLU A 39 5.184 1.287 4.395 1.00 0.00 C ATOM 560 C GLU A 39 5.262 0.015 5.235 1.00 0.00 C ATOM 561 O GLU A 39 6.116 -0.840 5.006 1.00 0.00 O ATOM 562 CB GLU A 39 5.463 2.509 5.273 1.00 0.00 C ATOM 563 CG GLU A 39 6.895 2.584 5.776 1.00 0.00 C ATOM 564 CD GLU A 39 7.812 3.320 4.819 1.00 0.00 C ATOM 565 OE1 GLU A 39 7.408 3.532 3.656 1.00 0.00 O ATOM 566 OE2 GLU A 39 8.932 3.685 5.232 1.00 0.00 O ATOM 0 H GLU A 39 3.220 2.006 4.253 1.00 0.00 H new ATOM 0 HA GLU A 39 5.940 1.231 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.239 3.412 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.787 2.493 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.910 3.084 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.274 1.574 5.933 1.00 0.00 H new ATOM 573 N GLU A 40 4.363 -0.100 6.207 1.00 0.00 N ATOM 574 CA GLU A 40 4.330 -1.266 7.082 1.00 0.00 C ATOM 575 C GLU A 40 4.344 -2.557 6.268 1.00 0.00 C ATOM 576 O GLU A 40 5.010 -3.526 6.633 1.00 0.00 O ATOM 577 CB GLU A 40 3.089 -1.227 7.976 1.00 0.00 C ATOM 578 CG GLU A 40 1.864 -1.867 7.344 1.00 0.00 C ATOM 579 CD GLU A 40 0.579 -1.498 8.060 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.516 -0.391 8.635 1.00 0.00 O ATOM 581 OE2 GLU A 40 -0.364 -2.316 8.044 1.00 0.00 O ATOM 0 H GLU A 40 3.648 0.599 6.408 1.00 0.00 H new ATOM 0 HA GLU A 40 5.221 -1.242 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.311 -1.735 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.861 -0.190 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.795 -1.560 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.981 -2.951 7.350 1.00 0.00 H new ATOM 588 N ALA A 41 3.604 -2.562 5.165 1.00 0.00 N ATOM 589 CA ALA A 41 3.531 -3.732 4.299 1.00 0.00 C ATOM 590 C ALA A 41 4.862 -3.978 3.595 1.00 0.00 C ATOM 591 O ALA A 41 5.559 -4.950 3.886 1.00 0.00 O ATOM 592 CB ALA A 41 2.415 -3.565 3.278 1.00 0.00 C ATOM 0 H ALA A 41 3.046 -1.768 4.850 1.00 0.00 H new ATOM 0 HA ALA A 41 3.312 -4.600 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.372 -4.446 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.463 -3.446 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.609 -2.683 2.668 1.00 0.00 H new ATOM 598 N LEU A 42 5.208 -3.091 2.668 1.00 0.00 N ATOM 599 CA LEU A 42 6.455 -3.212 1.922 1.00 0.00 C ATOM 600 C LEU A 42 7.560 -3.792 2.799 1.00 0.00 C ATOM 601 O LEU A 42 8.274 -4.709 2.393 1.00 0.00 O ATOM 602 CB LEU A 42 6.883 -1.847 1.380 1.00 0.00 C ATOM 603 CG LEU A 42 6.267 -1.434 0.043 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.482 0.051 -0.208 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.854 -2.259 -1.093 1.00 0.00 C ATOM 0 H LEU A 42 4.642 -2.281 2.415 1.00 0.00 H new ATOM 0 HA LEU A 42 6.285 -3.891 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.633 -1.089 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.968 -1.844 1.274 1.00 0.00 H new ATOM 0 HG LEU A 42 5.194 -1.623 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.037 0.327 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.013 0.627 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.550 0.265 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.404 -1.951 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.932 -2.103 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.648 -3.315 -0.920 1.00 0.00 H new ATOM 617 N LYS A 43 7.695 -3.252 4.006 1.00 0.00 N ATOM 618 CA LYS A 43 8.711 -3.717 4.944 1.00 0.00 C ATOM 619 C LYS A 43 8.629 -5.229 5.129 1.00 0.00 C ATOM 620 O LYS A 43 9.645 -5.923 5.102 1.00 0.00 O ATOM 621 CB LYS A 43 8.545 -3.018 6.295 1.00 0.00 C ATOM 622 CG LYS A 43 9.026 -1.577 6.296 1.00 0.00 C ATOM 623 CD LYS A 43 10.543 -1.495 6.259 1.00 0.00 C ATOM 624 CE LYS A 43 11.141 -1.601 7.654 1.00 0.00 C ATOM 625 NZ LYS A 43 11.045 -0.314 8.398 1.00 0.00 N ATOM 0 H LYS A 43 7.113 -2.492 4.358 1.00 0.00 H new ATOM 0 HA LYS A 43 9.690 -3.471 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.493 -3.042 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.094 -3.576 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.611 -1.054 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.655 -1.069 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.936 -2.295 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.847 -0.553 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.625 -2.382 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.186 -1.900 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.463 -0.428 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.559 0.426 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.046 -0.041 8.492 1.00 0.00 H new ATOM 639 N SER A 44 7.413 -5.733 5.316 1.00 0.00 N ATOM 640 CA SER A 44 7.199 -7.162 5.508 1.00 0.00 C ATOM 641 C SER A 44 7.077 -7.878 4.166 1.00 0.00 C ATOM 642 O SER A 44 7.148 -9.104 4.096 1.00 0.00 O ATOM 643 CB SER A 44 5.940 -7.404 6.343 1.00 0.00 C ATOM 644 OG SER A 44 6.159 -7.070 7.703 1.00 0.00 O ATOM 0 H SER A 44 6.561 -5.172 5.339 1.00 0.00 H new ATOM 0 HA SER A 44 8.062 -7.565 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.117 -6.809 5.947 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.643 -8.450 6.265 1.00 0.00 H new ATOM 0 HG SER A 44 5.340 -7.232 8.216 1.00 0.00 H new ATOM 650 N ASN A 45 6.893 -7.102 3.103 1.00 0.00 N ATOM 651 CA ASN A 45 6.760 -7.661 1.762 1.00 0.00 C ATOM 652 C ASN A 45 8.100 -7.647 1.032 1.00 0.00 C ATOM 653 O ASN A 45 8.155 -7.451 -0.181 1.00 0.00 O ATOM 654 CB ASN A 45 5.721 -6.875 0.960 1.00 0.00 C ATOM 655 CG ASN A 45 4.301 -7.306 1.274 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.770 -8.229 0.656 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.680 -6.638 2.239 1.00 0.00 N ATOM 0 H ASN A 45 6.833 -6.085 3.144 1.00 0.00 H new ATOM 0 HA ASN A 45 6.429 -8.695 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.830 -5.812 1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.911 -7.008 -0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.724 -6.883 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.159 -5.880 2.724 1.00 0.00 H new ATOM 664 N ASN A 46 9.178 -7.856 1.781 1.00 0.00 N ATOM 665 CA ASN A 46 10.518 -7.867 1.205 1.00 0.00 C ATOM 666 C ASN A 46 10.665 -6.776 0.149 1.00 0.00 C ATOM 667 O ASN A 46 11.353 -6.960 -0.855 1.00 0.00 O ATOM 668 CB ASN A 46 10.818 -9.235 0.587 1.00 0.00 C ATOM 669 CG ASN A 46 11.425 -10.200 1.587 1.00 0.00 C ATOM 670 OD1 ASN A 46 12.018 -9.787 2.584 1.00 0.00 O ATOM 671 ND2 ASN A 46 11.280 -11.493 1.324 1.00 0.00 N ATOM 0 H ASN A 46 9.150 -8.020 2.787 1.00 0.00 H new ATOM 0 HA ASN A 46 11.233 -7.672 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.897 -9.661 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.501 -9.109 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.668 -12.189 1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.781 -11.790 0.486 1.00 0.00 H new ATOM 678 N MET A 47 10.015 -5.641 0.384 1.00 0.00 N ATOM 679 CA MET A 47 10.076 -4.520 -0.547 1.00 0.00 C ATOM 680 C MET A 47 9.514 -4.913 -1.909 1.00 0.00 C ATOM 681 O MET A 47 10.124 -4.644 -2.943 1.00 0.00 O ATOM 682 CB MET A 47 11.518 -4.032 -0.698 1.00 0.00 C ATOM 683 CG MET A 47 12.265 -3.926 0.622 1.00 0.00 C ATOM 684 SD MET A 47 12.092 -2.304 1.390 1.00 0.00 S ATOM 685 CE MET A 47 10.679 -2.583 2.454 1.00 0.00 C ATOM 0 H MET A 47 9.441 -5.473 1.210 1.00 0.00 H new ATOM 0 HA MET A 47 9.467 -3.711 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.056 -4.713 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.514 -3.056 -1.183 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.895 -4.689 1.307 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.322 -4.133 0.455 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.698 -1.870 3.279 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.761 -2.451 1.882 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.717 -3.598 2.850 1.00 0.00 H new ATOM 695 N ASN A 48 8.348 -5.552 -1.902 1.00 0.00 N ATOM 696 CA ASN A 48 7.705 -5.982 -3.138 1.00 0.00 C ATOM 697 C ASN A 48 6.421 -5.196 -3.386 1.00 0.00 C ATOM 698 O ASN A 48 5.775 -4.730 -2.447 1.00 0.00 O ATOM 699 CB ASN A 48 7.397 -7.480 -3.082 1.00 0.00 C ATOM 700 CG ASN A 48 7.434 -8.130 -4.451 1.00 0.00 C ATOM 701 OD1 ASN A 48 6.698 -7.738 -5.357 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.295 -9.129 -4.608 1.00 0.00 N ATOM 0 H ASN A 48 7.830 -5.783 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 48 8.392 -5.789 -3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.118 -7.972 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.413 -7.629 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.366 -9.605 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.886 -9.420 -3.829 1.00 0.00 H new ATOM 709 N LEU A 49 6.058 -5.053 -4.655 1.00 0.00 N ATOM 710 CA LEU A 49 4.850 -4.324 -5.028 1.00 0.00 C ATOM 711 C LEU A 49 3.655 -5.266 -5.131 1.00 0.00 C ATOM 712 O LEU A 49 2.580 -4.981 -4.604 1.00 0.00 O ATOM 713 CB LEU A 49 5.059 -3.600 -6.359 1.00 0.00 C ATOM 714 CG LEU A 49 4.259 -2.311 -6.554 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.804 -1.204 -5.665 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.282 -1.885 -8.015 1.00 0.00 C ATOM 0 H LEU A 49 6.582 -5.432 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 49 4.644 -3.589 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.119 -3.365 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.806 -4.287 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 49 3.225 -2.501 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.222 -0.295 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.734 -1.508 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.847 -1.014 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.708 -0.966 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.312 -1.713 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.843 -2.670 -8.630 1.00 0.00 H new ATOM 728 N ASP A 50 3.851 -6.391 -5.811 1.00 0.00 N ATOM 729 CA ASP A 50 2.791 -7.377 -5.980 1.00 0.00 C ATOM 730 C ASP A 50 2.377 -7.966 -4.635 1.00 0.00 C ATOM 731 O ASP A 50 1.199 -8.234 -4.401 1.00 0.00 O ATOM 732 CB ASP A 50 3.248 -8.493 -6.920 1.00 0.00 C ATOM 733 CG ASP A 50 2.085 -9.266 -7.511 1.00 0.00 C ATOM 734 OD1 ASP A 50 1.200 -8.631 -8.122 1.00 0.00 O ATOM 735 OD2 ASP A 50 2.061 -10.505 -7.363 1.00 0.00 O ATOM 0 H ASP A 50 4.735 -6.642 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 50 1.928 -6.875 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.842 -8.064 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.897 -9.179 -6.376 1.00 0.00 H new ATOM 740 N GLN A 51 3.353 -8.164 -3.755 1.00 0.00 N ATOM 741 CA GLN A 51 3.090 -8.723 -2.435 1.00 0.00 C ATOM 742 C GLN A 51 2.528 -7.660 -1.496 1.00 0.00 C ATOM 743 O GLN A 51 1.632 -7.934 -0.698 1.00 0.00 O ATOM 744 CB GLN A 51 4.370 -9.316 -1.844 1.00 0.00 C ATOM 745 CG GLN A 51 5.132 -10.205 -2.814 1.00 0.00 C ATOM 746 CD GLN A 51 6.128 -11.111 -2.116 1.00 0.00 C ATOM 747 OE1 GLN A 51 6.820 -10.693 -1.187 1.00 0.00 O ATOM 748 NE2 GLN A 51 6.204 -12.360 -2.560 1.00 0.00 N ATOM 0 H GLN A 51 4.333 -7.945 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 51 2.349 -9.514 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.021 -8.504 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.116 -9.895 -0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.424 -10.814 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.658 -9.581 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.611 -12.664 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.855 -13.016 -2.128 1.00 0.00 H new ATOM 757 N ALA A 52 3.061 -6.446 -1.598 1.00 0.00 N ATOM 758 CA ALA A 52 2.611 -5.342 -0.760 1.00 0.00 C ATOM 759 C ALA A 52 1.191 -4.921 -1.122 1.00 0.00 C ATOM 760 O ALA A 52 0.315 -4.854 -0.260 1.00 0.00 O ATOM 761 CB ALA A 52 3.563 -4.162 -0.887 1.00 0.00 C ATOM 0 H ALA A 52 3.805 -6.203 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 52 2.607 -5.682 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.215 -3.344 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.561 -4.464 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.595 -3.831 -1.925 1.00 0.00 H new ATOM 767 N MET A 53 0.971 -4.636 -2.401 1.00 0.00 N ATOM 768 CA MET A 53 -0.344 -4.221 -2.876 1.00 0.00 C ATOM 769 C MET A 53 -1.431 -5.151 -2.347 1.00 0.00 C ATOM 770 O MET A 53 -2.351 -4.714 -1.656 1.00 0.00 O ATOM 771 CB MET A 53 -0.374 -4.201 -4.406 1.00 0.00 C ATOM 772 CG MET A 53 0.243 -2.949 -5.009 1.00 0.00 C ATOM 773 SD MET A 53 0.766 -3.188 -6.718 1.00 0.00 S ATOM 774 CE MET A 53 -0.796 -3.581 -7.499 1.00 0.00 C ATOM 0 H MET A 53 1.686 -4.685 -3.127 1.00 0.00 H new ATOM 0 HA MET A 53 -0.537 -3.215 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.156 -5.075 -4.783 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.407 -4.285 -4.742 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.480 -2.135 -4.965 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.101 -2.646 -4.409 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.656 -3.651 -8.578 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.164 -4.534 -7.118 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.521 -2.798 -7.277 1.00 0.00 H new ATOM 784 N SER A 54 -1.319 -6.434 -2.676 1.00 0.00 N ATOM 785 CA SER A 54 -2.295 -7.424 -2.237 1.00 0.00 C ATOM 786 C SER A 54 -2.614 -7.252 -0.755 1.00 0.00 C ATOM 787 O SER A 54 -3.777 -7.260 -0.354 1.00 0.00 O ATOM 788 CB SER A 54 -1.772 -8.838 -2.498 1.00 0.00 C ATOM 789 OG SER A 54 -2.837 -9.767 -2.591 1.00 0.00 O ATOM 0 H SER A 54 -0.562 -6.812 -3.245 1.00 0.00 H new ATOM 0 HA SER A 54 -3.211 -7.273 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.193 -8.850 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.097 -9.133 -1.695 1.00 0.00 H new ATOM 0 HG SER A 54 -2.476 -10.662 -2.760 1.00 0.00 H new ATOM 795 N ALA A 55 -1.571 -7.098 0.054 1.00 0.00 N ATOM 796 CA ALA A 55 -1.739 -6.922 1.491 1.00 0.00 C ATOM 797 C ALA A 55 -2.740 -5.813 1.796 1.00 0.00 C ATOM 798 O ALA A 55 -3.455 -5.867 2.797 1.00 0.00 O ATOM 799 CB ALA A 55 -0.399 -6.620 2.146 1.00 0.00 C ATOM 0 H ALA A 55 -0.601 -7.092 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.131 -7.852 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.539 -6.491 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.288 -7.447 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.015 -5.705 1.722 1.00 0.00 H new ATOM 805 N LEU A 56 -2.786 -4.809 0.927 1.00 0.00 N ATOM 806 CA LEU A 56 -3.701 -3.687 1.104 1.00 0.00 C ATOM 807 C LEU A 56 -5.055 -3.982 0.467 1.00 0.00 C ATOM 808 O LEU A 56 -6.098 -3.840 1.107 1.00 0.00 O ATOM 809 CB LEU A 56 -3.104 -2.417 0.494 1.00 0.00 C ATOM 810 CG LEU A 56 -1.618 -2.176 0.764 1.00 0.00 C ATOM 811 CD1 LEU A 56 -1.068 -1.120 -0.181 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.400 -1.765 2.213 1.00 0.00 C ATOM 0 H LEU A 56 -2.201 -4.749 0.094 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.849 -3.536 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.256 -2.450 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.664 -1.560 0.868 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.080 -3.107 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.010 -0.962 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.190 -1.455 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.609 -0.185 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.337 -1.598 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.950 -0.847 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.756 -2.556 2.873 1.00 0.00 H new ATOM 824 N LEU A 57 -5.032 -4.395 -0.795 1.00 0.00 N ATOM 825 CA LEU A 57 -6.259 -4.714 -1.518 1.00 0.00 C ATOM 826 C LEU A 57 -7.090 -5.740 -0.755 1.00 0.00 C ATOM 827 O LEU A 57 -8.249 -5.491 -0.424 1.00 0.00 O ATOM 828 CB LEU A 57 -5.928 -5.245 -2.914 1.00 0.00 C ATOM 829 CG LEU A 57 -5.612 -4.191 -3.976 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.759 -4.788 -5.084 1.00 0.00 C ATOM 831 CD2 LEU A 57 -6.897 -3.606 -4.545 1.00 0.00 C ATOM 0 H LEU A 57 -4.178 -4.517 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.844 -3.799 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.074 -5.917 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.771 -5.842 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.047 -3.386 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.544 -4.023 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.824 -5.158 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.297 -5.612 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.653 -2.858 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.488 -4.401 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.471 -3.140 -3.744 1.00 0.00 H new ATOM 843 N GLU A 58 -6.489 -6.893 -0.478 1.00 0.00 N ATOM 844 CA GLU A 58 -7.175 -7.956 0.247 1.00 0.00 C ATOM 845 C GLU A 58 -8.069 -7.379 1.341 1.00 0.00 C ATOM 846 O GLU A 58 -9.262 -7.676 1.405 1.00 0.00 O ATOM 847 CB GLU A 58 -6.159 -8.922 0.860 1.00 0.00 C ATOM 848 CG GLU A 58 -5.630 -9.953 -0.123 1.00 0.00 C ATOM 849 CD GLU A 58 -6.711 -10.890 -0.624 1.00 0.00 C ATOM 850 OE1 GLU A 58 -7.716 -11.074 0.094 1.00 0.00 O ATOM 851 OE2 GLU A 58 -6.553 -11.439 -1.734 1.00 0.00 O ATOM 0 H GLU A 58 -5.530 -7.115 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.801 -8.499 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.322 -8.350 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.622 -9.438 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.176 -9.441 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.843 -10.535 0.356 1.00 0.00 H new ATOM 858 N LYS A 59 -7.483 -6.553 2.201 1.00 0.00 N ATOM 859 CA LYS A 59 -8.224 -5.932 3.293 1.00 0.00 C ATOM 860 C LYS A 59 -9.375 -5.087 2.758 1.00 0.00 C ATOM 861 O LYS A 59 -10.536 -5.311 3.101 1.00 0.00 O ATOM 862 CB LYS A 59 -7.292 -5.065 4.142 1.00 0.00 C ATOM 863 CG LYS A 59 -6.152 -5.841 4.779 1.00 0.00 C ATOM 864 CD LYS A 59 -6.629 -6.653 5.971 1.00 0.00 C ATOM 865 CE LYS A 59 -5.470 -7.338 6.680 1.00 0.00 C ATOM 866 NZ LYS A 59 -5.131 -8.645 6.053 1.00 0.00 N ATOM 0 H LYS A 59 -6.496 -6.298 2.163 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.638 -6.726 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.877 -4.273 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.874 -4.581 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.705 -6.506 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.373 -5.149 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.151 -6.001 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.347 -7.402 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.596 -6.687 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.726 -7.494 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.337 -9.080 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.957 -9.275 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.862 -8.494 5.060 1.00 0.00 H new ATOM 880 N LYS A 60 -9.046 -4.114 1.914 1.00 0.00 N ATOM 881 CA LYS A 60 -10.052 -3.236 1.329 1.00 0.00 C ATOM 882 C LYS A 60 -10.670 -3.869 0.086 1.00 0.00 C ATOM 883 O LYS A 60 -10.041 -3.927 -0.971 1.00 0.00 O ATOM 884 CB LYS A 60 -9.432 -1.884 0.971 1.00 0.00 C ATOM 885 CG LYS A 60 -10.441 -0.866 0.468 1.00 0.00 C ATOM 886 CD LYS A 60 -11.075 -0.096 1.614 1.00 0.00 C ATOM 887 CE LYS A 60 -12.020 0.982 1.106 1.00 0.00 C ATOM 888 NZ LYS A 60 -13.258 0.401 0.517 1.00 0.00 N ATOM 0 H LYS A 60 -8.090 -3.914 1.620 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.839 -3.084 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.929 -1.481 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.669 -2.035 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.949 -0.170 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.218 -1.374 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.620 -0.785 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.295 0.360 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.286 1.648 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.511 1.588 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.891 1.168 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.009 -0.188 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.740 -0.184 1.229 1.00 0.00 H new ATOM 902 N VAL A 61 -11.905 -4.342 0.219 1.00 0.00 N ATOM 903 CA VAL A 61 -12.609 -4.968 -0.894 1.00 0.00 C ATOM 904 C VAL A 61 -13.160 -3.921 -1.854 1.00 0.00 C ATOM 905 O VAL A 61 -14.153 -3.254 -1.559 1.00 0.00 O ATOM 906 CB VAL A 61 -13.766 -5.855 -0.398 1.00 0.00 C ATOM 907 CG1 VAL A 61 -14.515 -6.462 -1.575 1.00 0.00 C ATOM 908 CG2 VAL A 61 -13.245 -6.941 0.531 1.00 0.00 C ATOM 0 H VAL A 61 -12.439 -4.304 1.087 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.884 -5.590 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.463 -5.233 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.329 -7.086 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.922 -5.665 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.831 -7.071 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.076 -7.558 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.527 -7.563 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.758 -6.481 1.391 1.00 0.00 H new ATOM 918 N ASP A 62 -12.512 -3.781 -3.005 1.00 0.00 N ATOM 919 CA ASP A 62 -12.938 -2.815 -4.011 1.00 0.00 C ATOM 920 C ASP A 62 -12.825 -3.405 -5.413 1.00 0.00 C ATOM 921 O ASP A 62 -12.310 -4.509 -5.594 1.00 0.00 O ATOM 922 CB ASP A 62 -12.100 -1.540 -3.912 1.00 0.00 C ATOM 923 CG ASP A 62 -12.716 -0.382 -4.672 1.00 0.00 C ATOM 924 OD1 ASP A 62 -13.821 0.057 -4.290 1.00 0.00 O ATOM 925 OD2 ASP A 62 -12.095 0.085 -5.649 1.00 0.00 O ATOM 0 H ASP A 62 -11.689 -4.325 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.983 -2.569 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.987 -1.264 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.100 -1.735 -4.300 1.00 0.00 H new ATOM 930 N VAL A 63 -13.311 -2.663 -6.403 1.00 0.00 N ATOM 931 CA VAL A 63 -13.265 -3.113 -7.789 1.00 0.00 C ATOM 932 C VAL A 63 -12.413 -2.178 -8.642 1.00 0.00 C ATOM 933 O VAL A 63 -12.929 -1.256 -9.273 1.00 0.00 O ATOM 934 CB VAL A 63 -14.677 -3.202 -8.398 1.00 0.00 C ATOM 935 CG1 VAL A 63 -14.603 -3.626 -9.857 1.00 0.00 C ATOM 936 CG2 VAL A 63 -15.542 -4.164 -7.598 1.00 0.00 C ATOM 0 H VAL A 63 -13.741 -1.748 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.817 -4.106 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 63 -15.136 -2.214 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.610 -3.684 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.021 -2.896 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.125 -4.603 -9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -16.536 -4.215 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -15.089 -5.155 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -15.622 -3.812 -6.569 1.00 0.00 H new ATOM 946 N ASP A 64 -11.108 -2.424 -8.656 1.00 0.00 N ATOM 947 CA ASP A 64 -10.184 -1.605 -9.432 1.00 0.00 C ATOM 948 C ASP A 64 -9.670 -2.371 -10.647 1.00 0.00 C ATOM 949 O ASP A 64 -9.796 -3.593 -10.724 1.00 0.00 O ATOM 950 CB ASP A 64 -9.009 -1.158 -8.561 1.00 0.00 C ATOM 951 CG ASP A 64 -9.455 -0.663 -7.199 1.00 0.00 C ATOM 952 OD1 ASP A 64 -10.101 0.404 -7.137 1.00 0.00 O ATOM 953 OD2 ASP A 64 -9.156 -1.342 -6.194 1.00 0.00 O ATOM 0 H ASP A 64 -10.666 -3.184 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.723 -0.724 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.317 -1.991 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.463 -0.365 -9.072 1.00 0.00 H new ATOM 958 N LYS A 65 -9.090 -1.643 -11.596 1.00 0.00 N ATOM 959 CA LYS A 65 -8.555 -2.252 -12.808 1.00 0.00 C ATOM 960 C LYS A 65 -7.594 -3.387 -12.469 1.00 0.00 C ATOM 961 O LYS A 65 -7.235 -3.582 -11.308 1.00 0.00 O ATOM 962 CB LYS A 65 -7.840 -1.201 -13.659 1.00 0.00 C ATOM 963 CG LYS A 65 -8.783 -0.213 -14.326 1.00 0.00 C ATOM 964 CD LYS A 65 -9.333 -0.762 -15.631 1.00 0.00 C ATOM 965 CE LYS A 65 -10.018 0.323 -16.447 1.00 0.00 C ATOM 966 NZ LYS A 65 -10.266 -0.111 -17.850 1.00 0.00 N ATOM 0 H LYS A 65 -8.979 -0.630 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.389 -2.664 -13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.138 -0.653 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.253 -1.705 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.607 0.017 -13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.256 0.722 -14.517 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.522 -1.200 -16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.042 -1.563 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.965 0.588 -15.976 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.400 1.221 -16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.734 0.656 -18.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.361 -0.340 -18.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.877 -0.953 -17.850 1.00 0.00 H new ATOM 980 N ARG A 66 -7.180 -4.131 -13.490 1.00 0.00 N ATOM 981 CA ARG A 66 -6.260 -5.245 -13.299 1.00 0.00 C ATOM 982 C ARG A 66 -4.930 -4.761 -12.730 1.00 0.00 C ATOM 983 O ARG A 66 -4.048 -4.327 -13.470 1.00 0.00 O ATOM 984 CB ARG A 66 -6.026 -5.974 -14.624 1.00 0.00 C ATOM 985 CG ARG A 66 -5.580 -7.417 -14.455 1.00 0.00 C ATOM 986 CD ARG A 66 -5.628 -8.172 -15.774 1.00 0.00 C ATOM 987 NE ARG A 66 -6.998 -8.455 -16.193 1.00 0.00 N ATOM 988 CZ ARG A 66 -7.714 -9.473 -15.728 1.00 0.00 C ATOM 989 NH1 ARG A 66 -7.192 -10.301 -14.833 1.00 0.00 N ATOM 990 NH2 ARG A 66 -8.954 -9.665 -16.158 1.00 0.00 N ATOM 0 H ARG A 66 -7.467 -3.982 -14.457 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.710 -5.936 -12.586 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.946 -5.953 -15.208 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.272 -5.434 -15.198 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.566 -7.441 -14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.220 -7.914 -13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.127 -7.587 -16.545 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.078 -9.108 -15.676 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.429 -7.837 -16.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.239 -10.157 -14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.744 -11.082 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.359 -9.031 -16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.503 -10.447 -15.800 1.00 0.00 H new ATOM 1004 N GLY A 67 -4.793 -4.838 -11.410 1.00 0.00 N ATOM 1005 CA GLY A 67 -3.568 -4.403 -10.764 1.00 0.00 C ATOM 1006 C GLY A 67 -3.203 -2.974 -11.115 1.00 0.00 C ATOM 1007 O GLY A 67 -3.962 -2.045 -10.834 1.00 0.00 O ATOM 0 H GLY A 67 -5.508 -5.194 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.680 -4.491 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.752 -5.065 -11.055 1.00 0.00 H new ATOM 1011 N LEU A 68 -2.039 -2.796 -11.728 1.00 0.00 N ATOM 1012 CA LEU A 68 -1.573 -1.469 -12.116 1.00 0.00 C ATOM 1013 C LEU A 68 -1.222 -1.428 -13.600 1.00 0.00 C ATOM 1014 O LEU A 68 -1.794 -0.650 -14.362 1.00 0.00 O ATOM 1015 CB LEU A 68 -0.356 -1.070 -11.281 1.00 0.00 C ATOM 1016 CG LEU A 68 0.400 0.175 -11.748 1.00 0.00 C ATOM 1017 CD1 LEU A 68 -0.434 1.425 -11.512 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.740 0.284 -11.036 1.00 0.00 C ATOM 0 H LEU A 68 -1.400 -3.554 -11.968 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.380 -0.759 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.683 -0.908 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.340 -1.909 -11.266 1.00 0.00 H new ATOM 0 HG LEU A 68 0.586 0.083 -12.818 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.120 2.301 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.368 1.349 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.652 1.522 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.264 1.176 -11.381 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.576 0.353 -9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.342 -0.598 -11.256 1.00 0.00 H new ATOM 1030 N GLY A 69 -0.278 -2.273 -14.003 1.00 0.00 N ATOM 1031 CA GLY A 69 0.132 -2.318 -15.395 1.00 0.00 C ATOM 1032 C GLY A 69 1.636 -2.426 -15.553 1.00 0.00 C ATOM 1033 O GLY A 69 2.292 -1.477 -15.981 1.00 0.00 O ATOM 0 H GLY A 69 0.210 -2.927 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.344 -3.169 -15.883 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.220 -1.421 -15.904 1.00 0.00 H new ATOM 1037 N VAL A 70 2.184 -3.586 -15.205 1.00 0.00 N ATOM 1038 CA VAL A 70 3.620 -3.816 -15.310 1.00 0.00 C ATOM 1039 C VAL A 70 3.996 -4.318 -16.700 1.00 0.00 C ATOM 1040 O VAL A 70 4.838 -5.204 -16.846 1.00 0.00 O ATOM 1041 CB VAL A 70 4.104 -4.833 -14.260 1.00 0.00 C ATOM 1042 CG1 VAL A 70 3.812 -4.330 -12.855 1.00 0.00 C ATOM 1043 CG2 VAL A 70 3.457 -6.190 -14.495 1.00 0.00 C ATOM 0 H VAL A 70 1.655 -4.381 -14.848 1.00 0.00 H new ATOM 0 HA VAL A 70 4.108 -2.858 -15.129 1.00 0.00 H new ATOM 0 HB VAL A 70 5.183 -4.948 -14.362 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.161 -5.062 -12.127 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.327 -3.383 -12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.738 -4.184 -12.737 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.810 -6.897 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.374 -6.094 -14.422 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.723 -6.553 -15.488 1.00 0.00 H new ATOM 1053 N THR A 71 3.366 -3.744 -17.721 1.00 0.00 N ATOM 1054 CA THR A 71 3.634 -4.134 -19.100 1.00 0.00 C ATOM 1055 C THR A 71 3.683 -2.916 -20.015 1.00 0.00 C ATOM 1056 O THR A 71 2.991 -1.924 -19.783 1.00 0.00 O ATOM 1057 CB THR A 71 2.566 -5.113 -19.624 1.00 0.00 C ATOM 1058 OG1 THR A 71 1.269 -4.511 -19.547 1.00 0.00 O ATOM 1059 CG2 THR A 71 2.579 -6.406 -18.824 1.00 0.00 C ATOM 0 H THR A 71 2.667 -3.008 -17.619 1.00 0.00 H new ATOM 0 HA THR A 71 4.605 -4.629 -19.106 1.00 0.00 H new ATOM 0 HB THR A 71 2.797 -5.345 -20.664 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.596 -5.139 -19.884 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.817 -7.082 -19.212 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.558 -6.877 -18.909 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.371 -6.188 -17.776 1.00 0.00 H new ATOM 1067 N ASP A 72 4.506 -2.997 -21.055 1.00 0.00 N ATOM 1068 CA ASP A 72 4.644 -1.901 -22.007 1.00 0.00 C ATOM 1069 C ASP A 72 4.543 -2.411 -23.441 1.00 0.00 C ATOM 1070 O ASP A 72 5.533 -2.851 -24.026 1.00 0.00 O ATOM 1071 CB ASP A 72 5.979 -1.183 -21.801 1.00 0.00 C ATOM 1072 CG ASP A 72 7.136 -2.149 -21.634 1.00 0.00 C ATOM 1073 OD1 ASP A 72 7.741 -2.534 -22.657 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.437 -2.520 -20.481 1.00 0.00 O ATOM 0 H ASP A 72 5.087 -3.810 -21.260 1.00 0.00 H new ATOM 0 HA ASP A 72 3.831 -1.197 -21.833 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.173 -0.532 -22.653 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.913 -0.544 -20.920 1.00 0.00 H new ATOM 1079 N HIS A 73 3.339 -2.349 -24.002 1.00 0.00 N ATOM 1080 CA HIS A 73 3.108 -2.806 -25.368 1.00 0.00 C ATOM 1081 C HIS A 73 1.876 -2.133 -25.965 1.00 0.00 C ATOM 1082 O HIS A 73 0.834 -2.038 -25.317 1.00 0.00 O ATOM 1083 CB HIS A 73 2.940 -4.325 -25.399 1.00 0.00 C ATOM 1084 CG HIS A 73 4.102 -5.068 -24.815 1.00 0.00 C ATOM 1085 ND1 HIS A 73 5.196 -5.458 -25.558 1.00 0.00 N ATOM 1086 CD2 HIS A 73 4.336 -5.492 -23.551 1.00 0.00 C ATOM 1087 CE1 HIS A 73 6.053 -6.091 -24.776 1.00 0.00 C ATOM 1088 NE2 HIS A 73 5.555 -6.124 -23.553 1.00 0.00 N ATOM 0 H HIS A 73 2.509 -1.987 -23.532 1.00 0.00 H new ATOM 0 HA HIS A 73 3.976 -2.532 -25.968 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.036 -4.594 -24.853 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.796 -4.645 -26.431 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.685 -5.358 -22.700 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.999 -6.510 -25.084 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.003 -6.550 -22.742 1.00 0.00 H new ATOM 1097 N ASN A 74 2.002 -1.667 -27.203 1.00 0.00 N ATOM 1098 CA ASN A 74 0.898 -1.002 -27.886 1.00 0.00 C ATOM 1099 C ASN A 74 0.386 -1.851 -29.046 1.00 0.00 C ATOM 1100 O ASN A 74 1.061 -2.774 -29.498 1.00 0.00 O ATOM 1101 CB ASN A 74 1.341 0.369 -28.399 1.00 0.00 C ATOM 1102 CG ASN A 74 1.694 1.322 -27.273 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.814 1.862 -26.603 1.00 0.00 O ATOM 1104 ND2 ASN A 74 2.988 1.533 -27.061 1.00 0.00 N ATOM 0 H ASN A 74 2.857 -1.737 -27.754 1.00 0.00 H new ATOM 0 HA ASN A 74 0.087 -0.870 -27.170 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.205 0.247 -29.053 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.544 0.803 -29.002 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.287 2.165 -26.318 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.683 1.063 -27.641 1.00 0.00 H new ATOM 1111 N GLY A 75 -0.813 -1.529 -29.523 1.00 0.00 N ATOM 1112 CA GLY A 75 -1.395 -2.271 -30.626 1.00 0.00 C ATOM 1113 C GLY A 75 -1.711 -1.387 -31.816 1.00 0.00 C ATOM 1114 O GLY A 75 -2.410 -0.382 -31.684 1.00 0.00 O ATOM 0 H GLY A 75 -1.391 -0.768 -29.165 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.706 -3.058 -30.934 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.308 -2.761 -30.289 1.00 0.00 H new ATOM 1118 N MET A 76 -1.194 -1.760 -32.982 1.00 0.00 N ATOM 1119 CA MET A 76 -1.424 -0.993 -34.201 1.00 0.00 C ATOM 1120 C MET A 76 -1.336 -1.889 -35.432 1.00 0.00 C ATOM 1121 O MET A 76 -0.494 -2.784 -35.500 1.00 0.00 O ATOM 1122 CB MET A 76 -0.410 0.147 -34.311 1.00 0.00 C ATOM 1123 CG MET A 76 -0.868 1.284 -35.210 1.00 0.00 C ATOM 1124 SD MET A 76 0.098 2.788 -34.975 1.00 0.00 S ATOM 1125 CE MET A 76 -1.205 4.006 -34.813 1.00 0.00 C ATOM 0 H MET A 76 -0.613 -2.589 -33.109 1.00 0.00 H new ATOM 0 HA MET A 76 -2.428 -0.572 -34.152 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.209 0.541 -33.315 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.531 -0.250 -34.692 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.796 0.970 -36.251 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.919 1.497 -35.013 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.765 4.992 -34.662 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.810 4.014 -35.720 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.834 3.754 -33.959 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.209 -1.641 -36.402 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.228 -2.424 -37.631 1.00 0.00 C ATOM 1137 C ALA A 77 -2.690 -1.579 -38.814 1.00 0.00 C ATOM 1138 O ALA A 77 -3.547 -0.708 -38.669 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.126 -3.642 -37.468 1.00 0.00 C ATOM 0 H ALA A 77 -2.913 -0.904 -36.361 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.211 -2.760 -37.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.130 -4.217 -38.394 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.751 -4.265 -36.656 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.141 -3.318 -37.238 1.00 0.00 H new ATOM 1145 N ALA A 78 -2.116 -1.843 -39.983 1.00 0.00 N ATOM 1146 CA ALA A 78 -2.470 -1.107 -41.191 1.00 0.00 C ATOM 1147 C ALA A 78 -1.771 -1.690 -42.414 1.00 0.00 C ATOM 1148 O ALA A 78 -0.678 -2.248 -42.310 1.00 0.00 O ATOM 1149 CB ALA A 78 -2.122 0.366 -41.033 1.00 0.00 C ATOM 0 H ALA A 78 -1.404 -2.561 -40.119 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.546 -1.200 -41.341 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.392 0.903 -41.942 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.673 0.782 -40.189 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.052 0.470 -40.854 1.00 0.00 H new ATOM 1155 N LYS A 79 -2.407 -1.557 -43.573 1.00 0.00 N ATOM 1156 CA LYS A 79 -1.846 -2.070 -44.817 1.00 0.00 C ATOM 1157 C LYS A 79 -1.786 -0.976 -45.878 1.00 0.00 C ATOM 1158 O LYS A 79 -2.239 0.146 -45.653 1.00 0.00 O ATOM 1159 CB LYS A 79 -2.679 -3.247 -45.329 1.00 0.00 C ATOM 1160 CG LYS A 79 -4.050 -2.843 -45.843 1.00 0.00 C ATOM 1161 CD LYS A 79 -4.825 -4.042 -46.365 1.00 0.00 C ATOM 1162 CE LYS A 79 -6.103 -3.615 -47.072 1.00 0.00 C ATOM 1163 NZ LYS A 79 -5.873 -3.351 -48.519 1.00 0.00 N ATOM 0 H LYS A 79 -3.312 -1.098 -43.677 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.831 -2.412 -44.615 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.133 -3.747 -46.129 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.801 -3.972 -44.525 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.614 -2.365 -45.042 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.939 -2.106 -46.638 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.199 -4.609 -47.054 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.071 -4.706 -45.537 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.858 -4.393 -46.960 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.498 -2.717 -46.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.781 -3.380 -49.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.441 -2.412 -48.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.236 -4.076 -48.907 1.00 0.00 H new ATOM 1177 N SER A 80 -1.224 -1.311 -47.036 1.00 0.00 N ATOM 1178 CA SER A 80 -1.103 -0.356 -48.131 1.00 0.00 C ATOM 1179 C SER A 80 -2.312 -0.436 -49.058 1.00 0.00 C ATOM 1180 O SER A 80 -3.040 0.540 -49.233 1.00 0.00 O ATOM 1181 CB SER A 80 0.180 -0.617 -48.924 1.00 0.00 C ATOM 1182 OG SER A 80 0.262 -1.973 -49.328 1.00 0.00 O ATOM 0 H SER A 80 -0.846 -2.236 -47.239 1.00 0.00 H new ATOM 0 HA SER A 80 -1.060 0.646 -47.704 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.207 0.029 -49.801 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.047 -0.363 -48.314 1.00 0.00 H new ATOM 0 HG SER A 80 1.089 -2.114 -49.834 1.00 0.00 H new ATOM 1188 N GLY A 81 -2.520 -1.608 -49.650 1.00 0.00 N ATOM 1189 CA GLY A 81 -3.641 -1.795 -50.552 1.00 0.00 C ATOM 1190 C GLY A 81 -3.232 -1.719 -52.010 1.00 0.00 C ATOM 1191 O GLY A 81 -2.277 -1.032 -52.374 1.00 0.00 O ATOM 0 H GLY A 81 -1.932 -2.431 -49.521 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.102 -2.763 -50.357 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.396 -1.036 -50.350 1.00 0.00 H new ATOM 1195 N PRO A 82 -3.963 -2.441 -52.872 1.00 0.00 N ATOM 1196 CA PRO A 82 -3.689 -2.469 -54.312 1.00 0.00 C ATOM 1197 C PRO A 82 -4.016 -1.144 -54.991 1.00 0.00 C ATOM 1198 O PRO A 82 -4.354 -0.163 -54.328 1.00 0.00 O ATOM 1199 CB PRO A 82 -4.612 -3.576 -54.827 1.00 0.00 C ATOM 1200 CG PRO A 82 -5.725 -3.632 -53.837 1.00 0.00 C ATOM 1201 CD PRO A 82 -5.115 -3.283 -52.508 1.00 0.00 C ATOM 0 HA PRO A 82 -2.634 -2.642 -54.522 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.982 -3.349 -55.827 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.089 -4.530 -54.889 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.516 -2.930 -54.100 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.175 -4.624 -53.811 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.819 -2.747 -51.871 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.805 -4.174 -51.962 1.00 0.00 H new ATOM 1209 N SER A 83 -3.914 -1.122 -56.316 1.00 0.00 N ATOM 1210 CA SER A 83 -4.196 0.085 -57.085 1.00 0.00 C ATOM 1211 C SER A 83 -5.171 -0.210 -58.220 1.00 0.00 C ATOM 1212 O SER A 83 -5.576 -1.355 -58.425 1.00 0.00 O ATOM 1213 CB SER A 83 -2.900 0.670 -57.649 1.00 0.00 C ATOM 1214 OG SER A 83 -3.049 2.047 -57.946 1.00 0.00 O ATOM 0 H SER A 83 -3.638 -1.926 -56.880 1.00 0.00 H new ATOM 0 HA SER A 83 -4.654 0.814 -56.416 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.093 0.535 -56.929 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.616 0.129 -58.551 1.00 0.00 H new ATOM 0 HG SER A 83 -2.207 2.398 -58.303 1.00 0.00 H new ATOM 1220 N SER A 84 -5.545 0.832 -58.956 1.00 0.00 N ATOM 1221 CA SER A 84 -6.476 0.687 -60.069 1.00 0.00 C ATOM 1222 C SER A 84 -6.010 1.494 -61.276 1.00 0.00 C ATOM 1223 O SER A 84 -4.993 2.185 -61.220 1.00 0.00 O ATOM 1224 CB SER A 84 -7.878 1.136 -59.651 1.00 0.00 C ATOM 1225 OG SER A 84 -7.848 2.432 -59.079 1.00 0.00 O ATOM 0 H SER A 84 -5.218 1.786 -58.802 1.00 0.00 H new ATOM 0 HA SER A 84 -6.508 -0.366 -60.349 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.538 1.133 -60.518 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.291 0.428 -58.933 1.00 0.00 H new ATOM 0 HG SER A 84 -8.756 2.697 -58.822 1.00 0.00 H new ATOM 1231 N GLY A 85 -6.761 1.401 -62.369 1.00 0.00 N ATOM 1232 CA GLY A 85 -6.409 2.127 -63.576 1.00 0.00 C ATOM 1233 C GLY A 85 -7.163 1.629 -64.793 1.00 0.00 C ATOM 1234 O GLY A 85 -7.617 2.422 -65.618 1.00 0.00 O ATOM 0 H GLY A 85 -7.607 0.836 -62.440 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.617 3.187 -63.432 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.338 2.034 -63.753 1.00 0.00 H new TER 1238 GLY A 85