USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 14 TYR OH : rot -58:sc= 0.0604 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0.06,f=0.06) 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 47:sc= 1.27 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.9!) USER MOD Single : A 26 TYR OH : rot 30:sc= 0.408 USER MOD Single : A 29 ASN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.693 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.048) USER MOD Single : A 41 SER OG : rot 86:sc= 1.21 USER MOD Single : A 44 THR OG1 : rot -57:sc= -0.736! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 103:sc= 0.293 USER MOD Single : A 56 GLN : amide:sc= -0.0867 K(o=-0.087,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0907 (180deg=-0.414) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.727 10.182 -11.771 1.00 0.00 N ATOM 2 CA GLY A 1 -19.927 9.393 -10.852 1.00 0.00 C ATOM 3 C GLY A 1 -19.478 10.190 -9.643 1.00 0.00 C ATOM 4 O GLY A 1 -18.553 10.997 -9.732 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.009 9.592 -12.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.577 10.528 -11.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.169 10.991 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.505 8.530 -10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.052 9.008 -11.375 1.00 0.00 H new ATOM 8 N SER A 2 -20.137 9.966 -8.511 1.00 0.00 N ATOM 9 CA SER A 2 -19.804 10.673 -7.280 1.00 0.00 C ATOM 10 C SER A 2 -20.538 10.066 -6.088 1.00 0.00 C ATOM 11 O SER A 2 -21.668 9.594 -6.216 1.00 0.00 O ATOM 12 CB SER A 2 -20.156 12.157 -7.408 1.00 0.00 C ATOM 13 OG SER A 2 -21.560 12.350 -7.401 1.00 0.00 O ATOM 0 H SER A 2 -20.905 9.300 -8.421 1.00 0.00 H new ATOM 0 HA SER A 2 -18.732 10.574 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.705 12.713 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.735 12.556 -8.331 1.00 0.00 H new ATOM 0 HG SER A 2 -21.759 13.306 -7.482 1.00 0.00 H new ATOM 19 N SER A 3 -19.887 10.081 -4.930 1.00 0.00 N ATOM 20 CA SER A 3 -20.475 9.529 -3.715 1.00 0.00 C ATOM 21 C SER A 3 -19.625 9.870 -2.496 1.00 0.00 C ATOM 22 O SER A 3 -18.400 9.953 -2.582 1.00 0.00 O ATOM 23 CB SER A 3 -20.623 8.011 -3.839 1.00 0.00 C ATOM 24 OG SER A 3 -20.587 7.390 -2.566 1.00 0.00 O ATOM 0 H SER A 3 -18.952 10.469 -4.807 1.00 0.00 H new ATOM 0 HA SER A 3 -21.461 9.974 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.563 7.773 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.823 7.614 -4.464 1.00 0.00 H new ATOM 0 HG SER A 3 -20.685 6.421 -2.672 1.00 0.00 H new ATOM 30 N GLY A 4 -20.284 10.068 -1.358 1.00 0.00 N ATOM 31 CA GLY A 4 -19.574 10.398 -0.136 1.00 0.00 C ATOM 32 C GLY A 4 -20.459 10.309 1.091 1.00 0.00 C ATOM 33 O GLY A 4 -20.924 11.326 1.604 1.00 0.00 O ATOM 0 H GLY A 4 -21.297 10.006 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.726 9.723 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.169 11.407 -0.216 1.00 0.00 H new ATOM 37 N SER A 5 -20.693 9.088 1.562 1.00 0.00 N ATOM 38 CA SER A 5 -21.533 8.869 2.734 1.00 0.00 C ATOM 39 C SER A 5 -20.736 8.217 3.860 1.00 0.00 C ATOM 40 O SER A 5 -19.733 7.545 3.617 1.00 0.00 O ATOM 41 CB SER A 5 -22.734 7.994 2.371 1.00 0.00 C ATOM 42 OG SER A 5 -23.823 8.233 3.246 1.00 0.00 O ATOM 0 H SER A 5 -20.313 8.236 1.150 1.00 0.00 H new ATOM 0 HA SER A 5 -21.891 9.839 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.038 8.196 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.449 6.943 2.418 1.00 0.00 H new ATOM 0 HG SER A 5 -24.578 7.663 2.992 1.00 0.00 H new ATOM 48 N SER A 6 -21.190 8.419 5.092 1.00 0.00 N ATOM 49 CA SER A 6 -20.518 7.855 6.257 1.00 0.00 C ATOM 50 C SER A 6 -21.366 8.033 7.513 1.00 0.00 C ATOM 51 O SER A 6 -22.298 8.835 7.537 1.00 0.00 O ATOM 52 CB SER A 6 -19.151 8.514 6.453 1.00 0.00 C ATOM 53 OG SER A 6 -18.147 7.832 5.723 1.00 0.00 O ATOM 0 H SER A 6 -22.021 8.969 5.310 1.00 0.00 H new ATOM 0 HA SER A 6 -20.377 6.788 6.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.196 9.554 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.895 8.519 7.512 1.00 0.00 H new ATOM 0 HG SER A 6 -18.465 7.660 4.812 1.00 0.00 H new ATOM 59 N GLY A 7 -21.035 7.276 8.555 1.00 0.00 N ATOM 60 CA GLY A 7 -21.775 7.364 9.800 1.00 0.00 C ATOM 61 C GLY A 7 -20.893 7.154 11.015 1.00 0.00 C ATOM 62 O GLY A 7 -19.674 7.310 10.940 1.00 0.00 O ATOM 0 H GLY A 7 -20.268 6.604 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.253 8.341 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.571 6.619 9.799 1.00 0.00 H new ATOM 66 N ARG A 8 -21.509 6.801 12.138 1.00 0.00 N ATOM 67 CA ARG A 8 -20.772 6.573 13.375 1.00 0.00 C ATOM 68 C ARG A 8 -19.738 5.465 13.195 1.00 0.00 C ATOM 69 O ARG A 8 -18.541 5.681 13.386 1.00 0.00 O ATOM 70 CB ARG A 8 -21.734 6.208 14.507 1.00 0.00 C ATOM 71 CG ARG A 8 -22.295 7.415 15.242 1.00 0.00 C ATOM 72 CD ARG A 8 -21.292 7.977 16.237 1.00 0.00 C ATOM 73 NE ARG A 8 -21.790 9.182 16.894 1.00 0.00 N ATOM 74 CZ ARG A 8 -21.132 9.821 17.855 1.00 0.00 C ATOM 75 NH1 ARG A 8 -19.955 9.371 18.269 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.651 10.911 18.405 1.00 0.00 N ATOM 0 H ARG A 8 -22.517 6.667 12.217 1.00 0.00 H new ATOM 0 HA ARG A 8 -20.251 7.495 13.633 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.560 5.626 14.097 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.216 5.567 15.220 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.566 8.187 14.522 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.208 7.132 15.765 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.065 7.221 16.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.359 8.204 15.722 1.00 0.00 H new ATOM 0 HE ARG A 8 -22.693 9.554 16.599 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.553 8.533 17.849 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.452 9.863 19.007 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.556 11.259 18.090 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.145 11.401 19.143 1.00 0.00 H new ATOM 90 N LYS A 9 -20.208 4.278 12.826 1.00 0.00 N ATOM 91 CA LYS A 9 -19.326 3.136 12.620 1.00 0.00 C ATOM 92 C LYS A 9 -18.188 3.493 11.669 1.00 0.00 C ATOM 93 O LYS A 9 -18.243 4.505 10.970 1.00 0.00 O ATOM 94 CB LYS A 9 -20.116 1.950 12.063 1.00 0.00 C ATOM 95 CG LYS A 9 -19.425 0.612 12.261 1.00 0.00 C ATOM 96 CD LYS A 9 -20.427 -0.501 12.520 1.00 0.00 C ATOM 97 CE LYS A 9 -19.818 -1.616 13.355 1.00 0.00 C ATOM 98 NZ LYS A 9 -19.033 -2.569 12.522 1.00 0.00 N ATOM 0 H LYS A 9 -21.196 4.082 12.663 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.898 2.860 13.584 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -21.094 1.919 12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.288 2.107 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.834 0.372 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.731 0.680 13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.299 -0.095 13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.776 -0.906 11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.172 -1.185 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.611 -2.155 13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.635 -3.314 13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.655 -3.000 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.261 -2.060 12.047 1.00 0.00 H new ATOM 112 N LYS A 10 -17.157 2.655 11.647 1.00 0.00 N ATOM 113 CA LYS A 10 -16.006 2.880 10.781 1.00 0.00 C ATOM 114 C LYS A 10 -15.933 1.819 9.687 1.00 0.00 C ATOM 115 O LYS A 10 -16.706 0.860 9.686 1.00 0.00 O ATOM 116 CB LYS A 10 -14.714 2.871 11.601 1.00 0.00 C ATOM 117 CG LYS A 10 -14.408 1.527 12.239 1.00 0.00 C ATOM 118 CD LYS A 10 -13.013 1.501 12.843 1.00 0.00 C ATOM 119 CE LYS A 10 -11.953 1.239 11.784 1.00 0.00 C ATOM 120 NZ LYS A 10 -10.643 1.847 12.150 1.00 0.00 N ATOM 0 H LYS A 10 -17.095 1.813 12.220 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.123 3.856 10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.882 3.155 10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.784 3.627 12.383 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.145 1.315 13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.496 0.739 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.810 2.452 13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.962 0.728 13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.830 0.164 11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.287 1.643 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.947 1.647 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.754 2.876 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.312 1.443 13.050 1.00 0.00 H new ATOM 134 N ARG A 11 -14.999 1.996 8.758 1.00 0.00 N ATOM 135 CA ARG A 11 -14.825 1.054 7.659 1.00 0.00 C ATOM 136 C ARG A 11 -13.347 0.876 7.324 1.00 0.00 C ATOM 137 O ARG A 11 -12.474 1.332 8.063 1.00 0.00 O ATOM 138 CB ARG A 11 -15.586 1.535 6.422 1.00 0.00 C ATOM 139 CG ARG A 11 -16.992 2.026 6.724 1.00 0.00 C ATOM 140 CD ARG A 11 -17.903 1.885 5.515 1.00 0.00 C ATOM 141 NE ARG A 11 -19.244 2.401 5.777 1.00 0.00 N ATOM 142 CZ ARG A 11 -20.235 2.355 4.893 1.00 0.00 C ATOM 143 NH1 ARG A 11 -20.036 1.819 3.697 1.00 0.00 N ATOM 144 NH2 ARG A 11 -21.427 2.845 5.206 1.00 0.00 N ATOM 0 H ARG A 11 -14.351 2.784 8.745 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.227 0.090 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.023 2.340 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.642 0.720 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.404 1.460 7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.955 3.071 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.468 2.418 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.968 0.835 5.230 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.430 2.820 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.121 1.441 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.798 1.785 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.583 3.257 6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.187 2.809 4.527 1.00 0.00 H new ATOM 158 N ILE A 12 -13.076 0.210 6.207 1.00 0.00 N ATOM 159 CA ILE A 12 -11.704 -0.027 5.774 1.00 0.00 C ATOM 160 C ILE A 12 -10.901 1.269 5.757 1.00 0.00 C ATOM 161 O ILE A 12 -11.360 2.307 5.282 1.00 0.00 O ATOM 162 CB ILE A 12 -11.658 -0.665 4.373 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.461 -1.967 4.354 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.218 -0.918 3.953 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.972 -2.993 5.353 1.00 0.00 C ATOM 0 H ILE A 12 -13.787 -0.175 5.586 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.261 -0.716 6.493 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.107 0.027 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.508 -1.742 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.418 -2.397 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.202 -1.369 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.674 0.026 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.744 -1.593 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.587 -3.890 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.935 -3.247 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.042 -2.582 6.360 1.00 0.00 H new ATOM 177 N PRO A 13 -9.670 1.209 6.287 1.00 0.00 N ATOM 178 CA PRO A 13 -8.775 2.368 6.343 1.00 0.00 C ATOM 179 C PRO A 13 -8.075 2.625 5.013 1.00 0.00 C ATOM 180 O PRO A 13 -8.416 2.023 3.995 1.00 0.00 O ATOM 181 CB PRO A 13 -7.756 1.978 7.417 1.00 0.00 C ATOM 182 CG PRO A 13 -7.745 0.489 7.406 1.00 0.00 C ATOM 183 CD PRO A 13 -9.057 0.004 6.872 1.00 0.00 C ATOM 0 HA PRO A 13 -9.315 3.289 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.769 2.383 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.044 2.365 8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.926 0.122 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.581 0.105 8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.920 -0.777 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.679 -0.417 7.662 1.00 0.00 H new ATOM 191 N TYR A 14 -7.096 3.522 5.029 1.00 0.00 N ATOM 192 CA TYR A 14 -6.349 3.860 3.823 1.00 0.00 C ATOM 193 C TYR A 14 -7.263 4.490 2.775 1.00 0.00 C ATOM 194 O TYR A 14 -8.076 3.808 2.153 1.00 0.00 O ATOM 195 CB TYR A 14 -5.679 2.612 3.246 1.00 0.00 C ATOM 196 CG TYR A 14 -4.920 1.803 4.273 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.780 2.313 4.883 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.341 0.530 4.634 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.082 1.578 5.821 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.650 -0.212 5.573 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.522 0.316 6.163 1.00 0.00 C ATOM 202 OH TYR A 14 -2.830 -0.420 7.098 1.00 0.00 O ATOM 0 H TYR A 14 -6.801 4.028 5.864 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.581 4.585 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.440 1.980 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.994 2.911 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.434 3.301 4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.224 0.112 4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.197 1.989 6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.992 -1.200 5.843 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.904 -0.540 6.800 1.00 0.00 H new ATOM 212 N SER A 15 -7.121 5.798 2.586 1.00 0.00 N ATOM 213 CA SER A 15 -7.934 6.523 1.617 1.00 0.00 C ATOM 214 C SER A 15 -7.650 6.039 0.199 1.00 0.00 C ATOM 215 O SER A 15 -6.656 5.356 -0.049 1.00 0.00 O ATOM 216 CB SER A 15 -7.667 8.026 1.718 1.00 0.00 C ATOM 217 OG SER A 15 -8.697 8.771 1.092 1.00 0.00 O ATOM 0 H SER A 15 -6.450 6.377 3.091 1.00 0.00 H new ATOM 0 HA SER A 15 -8.983 6.331 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.591 8.315 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.710 8.260 1.252 1.00 0.00 H new ATOM 0 HG SER A 15 -8.503 9.728 1.172 1.00 0.00 H new ATOM 223 N LYS A 16 -8.530 6.397 -0.730 1.00 0.00 N ATOM 224 CA LYS A 16 -8.376 6.001 -2.125 1.00 0.00 C ATOM 225 C LYS A 16 -6.987 6.362 -2.642 1.00 0.00 C ATOM 226 O LYS A 16 -6.328 5.553 -3.294 1.00 0.00 O ATOM 227 CB LYS A 16 -9.444 6.675 -2.989 1.00 0.00 C ATOM 228 CG LYS A 16 -9.506 6.139 -4.408 1.00 0.00 C ATOM 229 CD LYS A 16 -10.827 6.480 -5.077 1.00 0.00 C ATOM 230 CE LYS A 16 -10.903 7.955 -5.439 1.00 0.00 C ATOM 231 NZ LYS A 16 -11.983 8.229 -6.427 1.00 0.00 N ATOM 0 H LYS A 16 -9.358 6.961 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.498 4.920 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.418 6.543 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.249 7.747 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.684 6.555 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.372 5.057 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.947 5.877 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.651 6.225 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.078 8.542 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.946 8.278 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.002 9.245 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.802 7.689 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.900 7.944 -6.027 1.00 0.00 H new ATOM 245 N GLY A 17 -6.547 7.581 -2.345 1.00 0.00 N ATOM 246 CA GLY A 17 -5.239 8.026 -2.787 1.00 0.00 C ATOM 247 C GLY A 17 -4.113 7.219 -2.170 1.00 0.00 C ATOM 248 O GLY A 17 -3.115 6.931 -2.829 1.00 0.00 O ATOM 0 H GLY A 17 -7.074 8.268 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.182 7.953 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.111 9.078 -2.531 1.00 0.00 H new ATOM 252 N GLN A 18 -4.274 6.856 -0.902 1.00 0.00 N ATOM 253 CA GLN A 18 -3.261 6.080 -0.196 1.00 0.00 C ATOM 254 C GLN A 18 -3.162 4.669 -0.765 1.00 0.00 C ATOM 255 O GLN A 18 -2.069 4.178 -1.050 1.00 0.00 O ATOM 256 CB GLN A 18 -3.585 6.018 1.298 1.00 0.00 C ATOM 257 CG GLN A 18 -3.674 7.385 1.958 1.00 0.00 C ATOM 258 CD GLN A 18 -4.225 7.317 3.369 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.255 7.918 3.674 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.540 6.583 4.238 1.00 0.00 N ATOM 0 H GLN A 18 -5.095 7.086 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.300 6.576 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.532 5.495 1.435 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.820 5.429 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.683 7.839 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.308 8.035 1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.691 6.102 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.863 6.500 5.202 1.00 0.00 H new ATOM 269 N LEU A 19 -4.310 4.020 -0.928 1.00 0.00 N ATOM 270 CA LEU A 19 -4.353 2.663 -1.463 1.00 0.00 C ATOM 271 C LEU A 19 -3.901 2.638 -2.920 1.00 0.00 C ATOM 272 O LEU A 19 -3.422 1.617 -3.414 1.00 0.00 O ATOM 273 CB LEU A 19 -5.767 2.092 -1.346 1.00 0.00 C ATOM 274 CG LEU A 19 -6.300 1.906 0.075 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.818 1.810 0.067 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.689 0.669 0.716 1.00 0.00 C ATOM 0 H LEU A 19 -5.223 4.411 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.670 2.047 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.449 2.750 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.790 1.126 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.014 2.776 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.180 1.678 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.238 2.725 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.126 0.959 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.080 0.552 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.944 -0.211 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.605 0.778 0.756 1.00 0.00 H new ATOM 288 N ARG A 20 -4.054 3.769 -3.601 1.00 0.00 N ATOM 289 CA ARG A 20 -3.661 3.877 -5.001 1.00 0.00 C ATOM 290 C ARG A 20 -2.196 3.492 -5.185 1.00 0.00 C ATOM 291 O ARG A 20 -1.847 2.773 -6.121 1.00 0.00 O ATOM 292 CB ARG A 20 -3.892 5.301 -5.509 1.00 0.00 C ATOM 293 CG ARG A 20 -3.956 5.404 -7.024 1.00 0.00 C ATOM 294 CD ARG A 20 -5.247 4.812 -7.569 1.00 0.00 C ATOM 295 NE ARG A 20 -6.352 5.766 -7.515 1.00 0.00 N ATOM 296 CZ ARG A 20 -7.524 5.566 -8.107 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.744 4.453 -8.792 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.481 6.481 -8.012 1.00 0.00 N ATOM 0 H ARG A 20 -4.447 4.623 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.276 3.188 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.823 5.682 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.091 5.943 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.880 6.450 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.103 4.885 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.093 4.494 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.508 3.922 -6.996 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.216 6.633 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.012 3.747 -8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.645 4.303 -9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.316 7.338 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.381 6.327 -8.467 1.00 0.00 H new ATOM 312 N GLU A 21 -1.344 3.975 -4.286 1.00 0.00 N ATOM 313 CA GLU A 21 0.082 3.681 -4.352 1.00 0.00 C ATOM 314 C GLU A 21 0.372 2.273 -3.840 1.00 0.00 C ATOM 315 O GLU A 21 1.207 1.558 -4.397 1.00 0.00 O ATOM 316 CB GLU A 21 0.874 4.705 -3.535 1.00 0.00 C ATOM 317 CG GLU A 21 0.572 6.146 -3.909 1.00 0.00 C ATOM 318 CD GLU A 21 0.668 6.394 -5.402 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.802 6.493 -5.916 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.392 6.490 -6.056 1.00 0.00 O ATOM 0 H GLU A 21 -1.617 4.571 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 21 0.391 3.740 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.656 4.560 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.940 4.519 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.430 6.404 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.267 6.806 -3.390 1.00 0.00 H new ATOM 327 N LEU A 22 -0.322 1.881 -2.778 1.00 0.00 N ATOM 328 CA LEU A 22 -0.140 0.559 -2.190 1.00 0.00 C ATOM 329 C LEU A 22 -0.451 -0.536 -3.206 1.00 0.00 C ATOM 330 O LEU A 22 0.370 -1.420 -3.449 1.00 0.00 O ATOM 331 CB LEU A 22 -1.036 0.398 -0.960 1.00 0.00 C ATOM 332 CG LEU A 22 -0.644 1.221 0.268 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.780 1.245 1.278 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.623 0.665 0.900 1.00 0.00 C ATOM 0 H LEU A 22 -1.016 2.460 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 22 0.903 0.464 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.055 0.664 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.047 -0.655 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.447 2.244 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.483 1.835 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.664 1.690 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.008 0.227 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.887 1.263 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.454 -0.368 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.437 0.701 0.176 1.00 0.00 H new ATOM 346 N GLU A 23 -1.640 -0.469 -3.797 1.00 0.00 N ATOM 347 CA GLU A 23 -2.057 -1.454 -4.787 1.00 0.00 C ATOM 348 C GLU A 23 -1.031 -1.562 -5.912 1.00 0.00 C ATOM 349 O GLU A 23 -0.767 -2.651 -6.422 1.00 0.00 O ATOM 350 CB GLU A 23 -3.425 -1.083 -5.364 1.00 0.00 C ATOM 351 CG GLU A 23 -4.548 -1.128 -4.342 1.00 0.00 C ATOM 352 CD GLU A 23 -5.837 -0.522 -4.864 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.882 -0.162 -6.059 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.800 -0.408 -4.077 1.00 0.00 O ATOM 0 H GLU A 23 -2.331 0.257 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.130 -2.422 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.371 -0.081 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.662 -1.763 -6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.729 -2.163 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.238 -0.595 -3.443 1.00 0.00 H new ATOM 361 N ARG A 24 -0.457 -0.426 -6.293 1.00 0.00 N ATOM 362 CA ARG A 24 0.537 -0.392 -7.358 1.00 0.00 C ATOM 363 C ARG A 24 1.818 -1.103 -6.929 1.00 0.00 C ATOM 364 O ARG A 24 2.251 -2.060 -7.569 1.00 0.00 O ATOM 365 CB ARG A 24 0.850 1.054 -7.747 1.00 0.00 C ATOM 366 CG ARG A 24 -0.325 1.783 -8.378 1.00 0.00 C ATOM 367 CD ARG A 24 -0.174 1.883 -9.888 1.00 0.00 C ATOM 368 NE ARG A 24 -0.508 0.628 -10.556 1.00 0.00 N ATOM 369 CZ ARG A 24 -0.308 0.409 -11.851 1.00 0.00 C ATOM 370 NH1 ARG A 24 0.222 1.356 -12.613 1.00 0.00 N ATOM 371 NH2 ARG A 24 -0.638 -0.759 -12.386 1.00 0.00 N ATOM 0 H ARG A 24 -0.663 0.483 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 24 0.124 -0.912 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.170 1.599 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.688 1.061 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.250 1.260 -8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.405 2.783 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.819 2.677 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.851 2.162 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.917 -0.121 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.477 2.255 -12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.374 1.185 -13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.046 -1.490 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.484 -0.926 -13.380 1.00 0.00 H new ATOM 385 N GLU A 25 2.417 -0.626 -5.843 1.00 0.00 N ATOM 386 CA GLU A 25 3.648 -1.216 -5.330 1.00 0.00 C ATOM 387 C GLU A 25 3.460 -2.702 -5.039 1.00 0.00 C ATOM 388 O GLU A 25 4.364 -3.508 -5.259 1.00 0.00 O ATOM 389 CB GLU A 25 4.097 -0.490 -4.060 1.00 0.00 C ATOM 390 CG GLU A 25 5.015 0.691 -4.327 1.00 0.00 C ATOM 391 CD GLU A 25 4.562 1.527 -5.508 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.806 1.108 -6.659 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.964 2.600 -5.282 1.00 0.00 O ATOM 0 H GLU A 25 2.071 0.166 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 25 4.418 -1.108 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.217 -0.141 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.610 -1.198 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.060 1.320 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.026 0.326 -4.511 1.00 0.00 H new ATOM 400 N TYR A 26 2.280 -3.057 -4.544 1.00 0.00 N ATOM 401 CA TYR A 26 1.973 -4.445 -4.220 1.00 0.00 C ATOM 402 C TYR A 26 1.843 -5.284 -5.487 1.00 0.00 C ATOM 403 O TYR A 26 2.400 -6.378 -5.580 1.00 0.00 O ATOM 404 CB TYR A 26 0.680 -4.527 -3.406 1.00 0.00 C ATOM 405 CG TYR A 26 0.199 -5.941 -3.175 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.020 -6.886 -2.573 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.079 -6.332 -3.558 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.584 -8.180 -2.361 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.523 -7.624 -3.349 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.688 -8.544 -2.750 1.00 0.00 C ATOM 411 OH TYR A 26 -1.126 -9.831 -2.539 1.00 0.00 O ATOM 0 H TYR A 26 1.520 -2.403 -4.358 1.00 0.00 H new ATOM 0 HA TYR A 26 2.795 -4.843 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.836 -4.043 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.100 -3.966 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.016 -6.605 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.736 -5.614 -4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.236 -8.903 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.519 -7.912 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.687 -10.200 -1.744 1.00 0.00 H new ATOM 421 N ALA A 27 1.106 -4.763 -6.462 1.00 0.00 N ATOM 422 CA ALA A 27 0.905 -5.461 -7.725 1.00 0.00 C ATOM 423 C ALA A 27 2.235 -5.735 -8.419 1.00 0.00 C ATOM 424 O ALA A 27 2.344 -6.651 -9.233 1.00 0.00 O ATOM 425 CB ALA A 27 -0.011 -4.655 -8.634 1.00 0.00 C ATOM 0 H ALA A 27 0.638 -3.859 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 27 0.433 -6.420 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.152 -5.189 -9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.976 -4.516 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.438 -3.682 -8.833 1.00 0.00 H new ATOM 431 N ALA A 28 3.243 -4.933 -8.092 1.00 0.00 N ATOM 432 CA ALA A 28 4.566 -5.090 -8.683 1.00 0.00 C ATOM 433 C ALA A 28 5.411 -6.078 -7.884 1.00 0.00 C ATOM 434 O ALA A 28 6.264 -6.769 -8.439 1.00 0.00 O ATOM 435 CB ALA A 28 5.268 -3.743 -8.771 1.00 0.00 C ATOM 0 H ALA A 28 3.169 -4.168 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 28 4.442 -5.489 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.255 -3.875 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.680 -3.066 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.373 -3.321 -7.771 1.00 0.00 H new ATOM 441 N ASN A 29 5.167 -6.138 -6.579 1.00 0.00 N ATOM 442 CA ASN A 29 5.906 -7.040 -5.704 1.00 0.00 C ATOM 443 C ASN A 29 5.214 -7.175 -4.352 1.00 0.00 C ATOM 444 O ASN A 29 4.984 -6.185 -3.657 1.00 0.00 O ATOM 445 CB ASN A 29 7.338 -6.535 -5.509 1.00 0.00 C ATOM 446 CG ASN A 29 7.383 -5.129 -4.944 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.583 -4.936 -3.744 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.196 -4.138 -5.808 1.00 0.00 N ATOM 0 H ASN A 29 4.463 -5.573 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 29 5.935 -8.022 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.870 -7.210 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.861 -6.556 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.215 -3.170 -5.486 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.034 -4.345 -6.794 1.00 0.00 H new ATOM 455 N LYS A 30 4.884 -8.408 -3.983 1.00 0.00 N ATOM 456 CA LYS A 30 4.219 -8.675 -2.713 1.00 0.00 C ATOM 457 C LYS A 30 5.116 -8.297 -1.539 1.00 0.00 C ATOM 458 O LYS A 30 4.636 -8.037 -0.436 1.00 0.00 O ATOM 459 CB LYS A 30 3.832 -10.153 -2.617 1.00 0.00 C ATOM 460 CG LYS A 30 5.004 -11.101 -2.800 1.00 0.00 C ATOM 461 CD LYS A 30 4.547 -12.465 -3.291 1.00 0.00 C ATOM 462 CE LYS A 30 4.430 -12.500 -4.807 1.00 0.00 C ATOM 463 NZ LYS A 30 3.996 -13.837 -5.299 1.00 0.00 N ATOM 0 H LYS A 30 5.066 -9.239 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 30 3.316 -8.065 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.374 -10.338 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.077 -10.372 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.710 -10.675 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.534 -11.213 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.253 -13.227 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.583 -12.710 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.716 -11.744 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.392 -12.244 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.928 -13.820 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.690 -14.556 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.066 -14.071 -4.895 1.00 0.00 H new ATOM 477 N PHE A 31 6.422 -8.265 -1.784 1.00 0.00 N ATOM 478 CA PHE A 31 7.387 -7.918 -0.747 1.00 0.00 C ATOM 479 C PHE A 31 8.266 -6.753 -1.191 1.00 0.00 C ATOM 480 O PHE A 31 9.133 -6.908 -2.052 1.00 0.00 O ATOM 481 CB PHE A 31 8.258 -9.128 -0.405 1.00 0.00 C ATOM 482 CG PHE A 31 7.732 -9.940 0.743 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.440 -10.441 0.721 1.00 0.00 C ATOM 484 CD2 PHE A 31 8.529 -10.203 1.846 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.953 -11.189 1.776 1.00 0.00 C ATOM 486 CE2 PHE A 31 8.047 -10.951 2.904 1.00 0.00 C ATOM 487 CZ PHE A 31 6.757 -11.443 2.869 1.00 0.00 C ATOM 0 H PHE A 31 6.836 -8.475 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 31 6.834 -7.615 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.339 -9.767 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.265 -8.785 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.806 -10.244 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.538 -9.819 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.945 -11.574 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.679 -11.150 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.378 -12.026 3.696 1.00 0.00 H new ATOM 497 N ILE A 32 8.036 -5.586 -0.598 1.00 0.00 N ATOM 498 CA ILE A 32 8.808 -4.395 -0.931 1.00 0.00 C ATOM 499 C ILE A 32 10.154 -4.394 -0.216 1.00 0.00 C ATOM 500 O ILE A 32 10.469 -5.313 0.540 1.00 0.00 O ATOM 501 CB ILE A 32 8.044 -3.109 -0.565 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.897 -2.992 0.953 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.679 -3.094 -1.237 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.176 -1.738 1.396 1.00 0.00 C ATOM 0 H ILE A 32 7.322 -5.440 0.115 1.00 0.00 H new ATOM 0 HA ILE A 32 8.972 -4.417 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 32 8.613 -2.251 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.357 -3.862 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.887 -3.012 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.151 -2.179 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.806 -3.136 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.101 -3.957 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.108 -1.722 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.727 -0.862 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.173 -1.725 0.970 1.00 0.00 H new ATOM 516 N THR A 33 10.947 -3.354 -0.459 1.00 0.00 N ATOM 517 CA THR A 33 12.260 -3.233 0.161 1.00 0.00 C ATOM 518 C THR A 33 12.223 -2.266 1.339 1.00 0.00 C ATOM 519 O THR A 33 11.260 -1.518 1.513 1.00 0.00 O ATOM 520 CB THR A 33 13.317 -2.751 -0.850 1.00 0.00 C ATOM 521 OG1 THR A 33 13.211 -1.335 -1.033 1.00 0.00 O ATOM 522 CG2 THR A 33 13.145 -3.455 -2.188 1.00 0.00 C ATOM 0 H THR A 33 10.702 -2.584 -1.081 1.00 0.00 H new ATOM 0 HA THR A 33 12.535 -4.226 0.516 1.00 0.00 H new ATOM 0 HB THR A 33 14.303 -2.992 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.888 -1.037 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.902 -3.099 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.256 -4.531 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.154 -3.240 -2.587 1.00 0.00 H new ATOM 530 N LYS A 34 13.278 -2.284 2.147 1.00 0.00 N ATOM 531 CA LYS A 34 13.369 -1.408 3.308 1.00 0.00 C ATOM 532 C LYS A 34 13.308 0.058 2.890 1.00 0.00 C ATOM 533 O LYS A 34 12.950 0.926 3.686 1.00 0.00 O ATOM 534 CB LYS A 34 14.665 -1.677 4.076 1.00 0.00 C ATOM 535 CG LYS A 34 14.553 -2.810 5.081 1.00 0.00 C ATOM 536 CD LYS A 34 14.039 -2.316 6.423 1.00 0.00 C ATOM 537 CE LYS A 34 13.953 -3.447 7.437 1.00 0.00 C ATOM 538 NZ LYS A 34 15.287 -3.780 8.010 1.00 0.00 N ATOM 0 H LYS A 34 14.083 -2.897 2.018 1.00 0.00 H new ATOM 0 HA LYS A 34 12.519 -1.618 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.457 -1.911 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.963 -0.768 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.882 -3.577 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.529 -3.278 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.699 -1.536 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.055 -1.866 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.273 -3.164 8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.532 -4.332 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.186 -4.555 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.929 -4.075 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.678 -2.943 8.488 1.00 0.00 H new ATOM 552 N ASP A 35 13.658 0.326 1.637 1.00 0.00 N ATOM 553 CA ASP A 35 13.640 1.686 1.113 1.00 0.00 C ATOM 554 C ASP A 35 12.278 2.021 0.514 1.00 0.00 C ATOM 555 O ASP A 35 11.689 3.057 0.822 1.00 0.00 O ATOM 556 CB ASP A 35 14.732 1.862 0.056 1.00 0.00 C ATOM 557 CG ASP A 35 16.083 2.182 0.667 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.160 3.135 1.470 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.062 1.478 0.342 1.00 0.00 O ATOM 0 H ASP A 35 13.958 -0.381 0.965 1.00 0.00 H new ATOM 0 HA ASP A 35 13.831 2.370 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.811 0.950 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.447 2.662 -0.627 1.00 0.00 H new ATOM 564 N LYS A 36 11.781 1.136 -0.344 1.00 0.00 N ATOM 565 CA LYS A 36 10.487 1.336 -0.986 1.00 0.00 C ATOM 566 C LYS A 36 9.403 1.615 0.049 1.00 0.00 C ATOM 567 O LYS A 36 8.474 2.383 -0.202 1.00 0.00 O ATOM 568 CB LYS A 36 10.111 0.105 -1.815 1.00 0.00 C ATOM 569 CG LYS A 36 8.718 0.179 -2.415 1.00 0.00 C ATOM 570 CD LYS A 36 8.543 1.424 -3.268 1.00 0.00 C ATOM 571 CE LYS A 36 9.492 1.422 -4.457 1.00 0.00 C ATOM 572 NZ LYS A 36 9.164 2.501 -5.430 1.00 0.00 N ATOM 0 H LYS A 36 12.255 0.273 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 36 10.566 2.201 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.838 -0.018 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.180 -0.782 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.535 -0.708 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.976 0.177 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.514 1.482 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.721 2.311 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.516 1.549 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.445 0.455 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.833 2.466 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.196 2.365 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.234 3.426 -4.959 1.00 0.00 H new ATOM 586 N ARG A 37 9.528 0.988 1.215 1.00 0.00 N ATOM 587 CA ARG A 37 8.558 1.170 2.288 1.00 0.00 C ATOM 588 C ARG A 37 8.566 2.612 2.789 1.00 0.00 C ATOM 589 O ARG A 37 7.512 3.202 3.026 1.00 0.00 O ATOM 590 CB ARG A 37 8.861 0.216 3.445 1.00 0.00 C ATOM 591 CG ARG A 37 7.789 0.205 4.522 1.00 0.00 C ATOM 592 CD ARG A 37 7.629 -1.177 5.135 1.00 0.00 C ATOM 593 NE ARG A 37 8.566 -1.400 6.234 1.00 0.00 N ATOM 594 CZ ARG A 37 8.911 -2.605 6.672 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.401 -3.691 6.108 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.770 -2.726 7.677 1.00 0.00 N ATOM 0 H ARG A 37 10.291 0.350 1.440 1.00 0.00 H new ATOM 0 HA ARG A 37 7.568 0.946 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.979 -0.793 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.814 0.495 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.047 0.922 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.839 0.527 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.608 -1.296 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.784 -1.935 4.367 1.00 0.00 H new ATOM 0 HE ARG A 37 8.977 -0.585 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.741 -3.602 5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.668 -4.615 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.165 -1.893 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.035 -3.652 8.013 1.00 0.00 H new ATOM 610 N ARG A 38 9.760 3.172 2.947 1.00 0.00 N ATOM 611 CA ARG A 38 9.905 4.543 3.421 1.00 0.00 C ATOM 612 C ARG A 38 9.285 5.527 2.434 1.00 0.00 C ATOM 613 O ARG A 38 8.655 6.508 2.830 1.00 0.00 O ATOM 614 CB ARG A 38 11.382 4.879 3.633 1.00 0.00 C ATOM 615 CG ARG A 38 12.059 4.012 4.682 1.00 0.00 C ATOM 616 CD ARG A 38 13.574 4.100 4.585 1.00 0.00 C ATOM 617 NE ARG A 38 14.096 5.295 5.243 1.00 0.00 N ATOM 618 CZ ARG A 38 14.254 5.400 6.557 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.933 4.387 7.350 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.736 6.520 7.081 1.00 0.00 N ATOM 0 H ARG A 38 10.642 2.697 2.754 1.00 0.00 H new ATOM 0 HA ARG A 38 9.380 4.629 4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.911 4.768 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.469 5.925 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.738 4.324 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.745 2.976 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.018 3.214 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.870 4.105 3.536 1.00 0.00 H new ATOM 0 HE ARG A 38 14.353 6.092 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.564 3.524 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.056 4.471 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.985 7.301 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.857 6.600 8.091 1.00 0.00 H new ATOM 634 N LYS A 39 9.468 5.259 1.145 1.00 0.00 N ATOM 635 CA LYS A 39 8.927 6.120 0.100 1.00 0.00 C ATOM 636 C LYS A 39 7.403 6.153 0.156 1.00 0.00 C ATOM 637 O LYS A 39 6.797 7.224 0.181 1.00 0.00 O ATOM 638 CB LYS A 39 9.387 5.635 -1.277 1.00 0.00 C ATOM 639 CG LYS A 39 10.897 5.593 -1.434 1.00 0.00 C ATOM 640 CD LYS A 39 11.465 6.971 -1.729 1.00 0.00 C ATOM 641 CE LYS A 39 12.986 6.953 -1.758 1.00 0.00 C ATOM 642 NZ LYS A 39 13.509 6.125 -2.880 1.00 0.00 N ATOM 0 H LYS A 39 9.987 4.452 0.799 1.00 0.00 H new ATOM 0 HA LYS A 39 9.301 7.130 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.984 4.638 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.969 6.289 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.348 5.200 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.161 4.909 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.086 7.324 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.123 7.676 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.360 7.972 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.363 6.563 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.544 6.219 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.259 5.128 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.090 6.449 -3.775 1.00 0.00 H new ATOM 656 N ILE A 40 6.791 4.974 0.178 1.00 0.00 N ATOM 657 CA ILE A 40 5.339 4.868 0.234 1.00 0.00 C ATOM 658 C ILE A 40 4.781 5.608 1.446 1.00 0.00 C ATOM 659 O ILE A 40 3.706 6.205 1.381 1.00 0.00 O ATOM 660 CB ILE A 40 4.882 3.399 0.289 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.403 2.634 -0.930 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.365 3.318 0.363 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.370 1.132 -0.760 1.00 0.00 C ATOM 0 H ILE A 40 7.279 4.078 0.158 1.00 0.00 H new ATOM 0 HA ILE A 40 4.954 5.325 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 40 5.295 2.939 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.807 2.906 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.427 2.946 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.058 2.273 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.016 3.832 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.932 3.791 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.753 0.655 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.989 0.848 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.344 0.808 -0.586 1.00 0.00 H new ATOM 675 N SER A 41 5.519 5.565 2.550 1.00 0.00 N ATOM 676 CA SER A 41 5.098 6.230 3.778 1.00 0.00 C ATOM 677 C SER A 41 4.987 7.737 3.569 1.00 0.00 C ATOM 678 O SER A 41 4.233 8.417 4.264 1.00 0.00 O ATOM 679 CB SER A 41 6.083 5.931 4.909 1.00 0.00 C ATOM 680 OG SER A 41 6.287 7.073 5.723 1.00 0.00 O ATOM 0 H SER A 41 6.412 5.077 2.620 1.00 0.00 H new ATOM 0 HA SER A 41 4.115 5.846 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.704 5.110 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.035 5.605 4.490 1.00 0.00 H new ATOM 0 HG SER A 41 5.595 7.109 6.415 1.00 0.00 H new ATOM 686 N ALA A 42 5.745 8.252 2.607 1.00 0.00 N ATOM 687 CA ALA A 42 5.731 9.678 2.304 1.00 0.00 C ATOM 688 C ALA A 42 4.789 9.984 1.145 1.00 0.00 C ATOM 689 O ALA A 42 4.243 11.083 1.051 1.00 0.00 O ATOM 690 CB ALA A 42 7.138 10.163 1.986 1.00 0.00 C ATOM 0 H ALA A 42 6.377 7.703 2.024 1.00 0.00 H new ATOM 0 HA ALA A 42 5.366 10.208 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.113 11.229 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.786 9.988 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.524 9.620 1.124 1.00 0.00 H new ATOM 696 N ALA A 43 4.602 9.006 0.265 1.00 0.00 N ATOM 697 CA ALA A 43 3.725 9.171 -0.887 1.00 0.00 C ATOM 698 C ALA A 43 2.259 9.084 -0.477 1.00 0.00 C ATOM 699 O ALA A 43 1.389 9.689 -1.105 1.00 0.00 O ATOM 700 CB ALA A 43 4.042 8.127 -1.946 1.00 0.00 C ATOM 0 H ALA A 43 5.047 8.090 0.328 1.00 0.00 H new ATOM 0 HA ALA A 43 3.900 10.162 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.379 8.263 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.077 8.239 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.897 7.130 -1.529 1.00 0.00 H new ATOM 706 N THR A 44 1.989 8.326 0.582 1.00 0.00 N ATOM 707 CA THR A 44 0.628 8.157 1.075 1.00 0.00 C ATOM 708 C THR A 44 0.504 8.629 2.519 1.00 0.00 C ATOM 709 O THR A 44 -0.485 8.341 3.193 1.00 0.00 O ATOM 710 CB THR A 44 0.176 6.688 0.986 1.00 0.00 C ATOM 711 OG1 THR A 44 0.917 5.890 1.916 1.00 0.00 O ATOM 712 CG2 THR A 44 0.371 6.146 -0.422 1.00 0.00 C ATOM 0 H THR A 44 2.696 7.819 1.115 1.00 0.00 H new ATOM 0 HA THR A 44 -0.016 8.766 0.440 1.00 0.00 H new ATOM 0 HB THR A 44 -0.885 6.642 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.875 5.977 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.045 5.107 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.217 6.737 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.425 6.205 -0.692 1.00 0.00 H new ATOM 720 N SER A 45 1.513 9.356 2.989 1.00 0.00 N ATOM 721 CA SER A 45 1.518 9.864 4.355 1.00 0.00 C ATOM 722 C SER A 45 1.242 8.744 5.353 1.00 0.00 C ATOM 723 O SER A 45 0.588 8.954 6.375 1.00 0.00 O ATOM 724 CB SER A 45 0.473 10.971 4.513 1.00 0.00 C ATOM 725 OG SER A 45 0.404 11.777 3.349 1.00 0.00 O ATOM 0 H SER A 45 2.338 9.606 2.443 1.00 0.00 H new ATOM 0 HA SER A 45 2.507 10.274 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.503 10.528 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.723 11.591 5.374 1.00 0.00 H new ATOM 0 HG SER A 45 -0.272 12.476 3.474 1.00 0.00 H new ATOM 731 N LEU A 46 1.747 7.553 5.049 1.00 0.00 N ATOM 732 CA LEU A 46 1.556 6.397 5.919 1.00 0.00 C ATOM 733 C LEU A 46 2.836 6.074 6.683 1.00 0.00 C ATOM 734 O LEU A 46 3.842 6.771 6.551 1.00 0.00 O ATOM 735 CB LEU A 46 1.119 5.183 5.098 1.00 0.00 C ATOM 736 CG LEU A 46 -0.329 5.191 4.606 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.575 4.033 3.652 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.292 5.129 5.783 1.00 0.00 C ATOM 0 H LEU A 46 2.291 7.363 4.208 1.00 0.00 H new ATOM 0 HA LEU A 46 0.776 6.640 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.775 5.100 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.272 4.288 5.701 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.505 6.122 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.611 4.055 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.090 4.121 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.382 3.091 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.318 5.136 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.116 4.215 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.133 5.992 6.429 1.00 0.00 H new ATOM 750 N SER A 47 2.790 5.012 7.482 1.00 0.00 N ATOM 751 CA SER A 47 3.946 4.598 8.269 1.00 0.00 C ATOM 752 C SER A 47 4.522 3.288 7.740 1.00 0.00 C ATOM 753 O SER A 47 3.848 2.545 7.026 1.00 0.00 O ATOM 754 CB SER A 47 3.557 4.440 9.740 1.00 0.00 C ATOM 755 OG SER A 47 4.656 4.719 10.590 1.00 0.00 O ATOM 0 H SER A 47 1.966 4.423 7.601 1.00 0.00 H new ATOM 0 HA SER A 47 4.709 5.371 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.731 5.112 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.203 3.425 9.919 1.00 0.00 H new ATOM 0 HG SER A 47 4.382 4.613 11.525 1.00 0.00 H new ATOM 761 N GLU A 48 5.772 3.012 8.095 1.00 0.00 N ATOM 762 CA GLU A 48 6.439 1.792 7.656 1.00 0.00 C ATOM 763 C GLU A 48 5.670 0.556 8.113 1.00 0.00 C ATOM 764 O GLU A 48 5.659 -0.469 7.431 1.00 0.00 O ATOM 765 CB GLU A 48 7.870 1.744 8.196 1.00 0.00 C ATOM 766 CG GLU A 48 8.650 3.028 7.971 1.00 0.00 C ATOM 767 CD GLU A 48 10.110 2.900 8.357 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.871 2.265 7.596 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.493 3.434 9.419 1.00 0.00 O ATOM 0 H GLU A 48 6.344 3.616 8.685 1.00 0.00 H new ATOM 0 HA GLU A 48 6.469 1.797 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.839 1.530 9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.401 0.919 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.579 3.312 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.194 3.831 8.550 1.00 0.00 H new ATOM 776 N ARG A 49 5.027 0.661 9.271 1.00 0.00 N ATOM 777 CA ARG A 49 4.257 -0.448 9.821 1.00 0.00 C ATOM 778 C ARG A 49 2.932 -0.609 9.081 1.00 0.00 C ATOM 779 O ARG A 49 2.595 -1.700 8.623 1.00 0.00 O ATOM 780 CB ARG A 49 3.996 -0.226 11.312 1.00 0.00 C ATOM 781 CG ARG A 49 3.456 -1.455 12.025 1.00 0.00 C ATOM 782 CD ARG A 49 4.549 -2.484 12.268 1.00 0.00 C ATOM 783 NE ARG A 49 5.530 -2.020 13.246 1.00 0.00 N ATOM 784 CZ ARG A 49 6.529 -2.770 13.698 1.00 0.00 C ATOM 785 NH1 ARG A 49 6.678 -4.013 13.263 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.381 -2.276 14.587 1.00 0.00 N ATOM 0 H ARG A 49 5.024 1.503 9.847 1.00 0.00 H new ATOM 0 HA ARG A 49 4.839 -1.361 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.924 0.084 11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.287 0.593 11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.015 -1.160 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.660 -1.902 11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.100 -3.414 12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.052 -2.707 11.327 1.00 0.00 H new ATOM 0 HE ARG A 49 5.443 -1.068 13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.025 -4.396 12.580 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.446 -4.587 13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.269 -1.320 14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.148 -2.852 14.934 1.00 0.00 H new ATOM 800 N GLN A 50 2.185 0.486 8.970 1.00 0.00 N ATOM 801 CA GLN A 50 0.897 0.465 8.287 1.00 0.00 C ATOM 802 C GLN A 50 1.026 -0.157 6.900 1.00 0.00 C ATOM 803 O GLN A 50 0.287 -1.077 6.551 1.00 0.00 O ATOM 804 CB GLN A 50 0.334 1.882 8.173 1.00 0.00 C ATOM 805 CG GLN A 50 -0.173 2.443 9.492 1.00 0.00 C ATOM 806 CD GLN A 50 -1.359 3.371 9.314 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.231 4.590 9.430 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.523 2.797 9.031 1.00 0.00 N ATOM 0 H GLN A 50 2.450 1.397 9.344 1.00 0.00 H new ATOM 0 HA GLN A 50 0.212 -0.145 8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.108 2.541 7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.482 1.883 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.456 1.620 10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.634 2.982 9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.584 1.783 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.356 3.371 8.901 1.00 0.00 H new ATOM 817 N ILE A 51 1.969 0.353 6.115 1.00 0.00 N ATOM 818 CA ILE A 51 2.195 -0.153 4.766 1.00 0.00 C ATOM 819 C ILE A 51 2.454 -1.656 4.779 1.00 0.00 C ATOM 820 O ILE A 51 2.017 -2.381 3.885 1.00 0.00 O ATOM 821 CB ILE A 51 3.384 0.555 4.091 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.128 2.062 4.009 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.626 -0.023 2.705 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.371 2.870 3.710 1.00 0.00 C ATOM 0 H ILE A 51 2.588 1.116 6.389 1.00 0.00 H new ATOM 0 HA ILE A 51 1.289 0.053 4.196 1.00 0.00 H new ATOM 0 HB ILE A 51 4.277 0.389 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.384 2.255 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.702 2.402 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.469 0.487 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.847 -1.087 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.735 0.116 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.115 3.929 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.109 2.707 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.786 2.557 2.752 1.00 0.00 H new ATOM 836 N THR A 52 3.168 -2.119 5.801 1.00 0.00 N ATOM 837 CA THR A 52 3.485 -3.536 5.932 1.00 0.00 C ATOM 838 C THR A 52 2.242 -4.348 6.275 1.00 0.00 C ATOM 839 O THR A 52 1.976 -5.382 5.661 1.00 0.00 O ATOM 840 CB THR A 52 4.555 -3.774 7.014 1.00 0.00 C ATOM 841 OG1 THR A 52 5.742 -3.037 6.700 1.00 0.00 O ATOM 842 CG2 THR A 52 4.888 -5.254 7.130 1.00 0.00 C ATOM 0 H THR A 52 3.537 -1.533 6.550 1.00 0.00 H new ATOM 0 HA THR A 52 3.874 -3.863 4.968 1.00 0.00 H new ATOM 0 HB THR A 52 4.156 -3.431 7.969 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.790 -2.238 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.646 -5.397 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.989 -5.809 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.268 -5.617 6.175 1.00 0.00 H new ATOM 850 N ILE A 53 1.484 -3.875 7.258 1.00 0.00 N ATOM 851 CA ILE A 53 0.268 -4.557 7.681 1.00 0.00 C ATOM 852 C ILE A 53 -0.641 -4.849 6.491 1.00 0.00 C ATOM 853 O ILE A 53 -1.188 -5.946 6.370 1.00 0.00 O ATOM 854 CB ILE A 53 -0.513 -3.726 8.717 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.352 -3.467 9.952 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.801 -4.438 9.105 1.00 0.00 C ATOM 857 CD1 ILE A 53 -0.043 -2.222 10.715 1.00 0.00 C ATOM 0 H ILE A 53 1.691 -3.021 7.777 1.00 0.00 H new ATOM 0 HA ILE A 53 0.577 -5.497 8.139 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.772 -2.766 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.287 -4.327 10.618 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.394 -3.380 9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.342 -3.839 9.837 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.422 -4.576 8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.563 -5.410 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.612 -2.101 11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.049 -1.352 10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.075 -2.315 11.053 1.00 0.00 H new ATOM 869 N TRP A 54 -0.795 -3.863 5.616 1.00 0.00 N ATOM 870 CA TRP A 54 -1.635 -4.015 4.434 1.00 0.00 C ATOM 871 C TRP A 54 -1.041 -5.038 3.471 1.00 0.00 C ATOM 872 O TRP A 54 -1.734 -5.944 3.008 1.00 0.00 O ATOM 873 CB TRP A 54 -1.805 -2.669 3.727 1.00 0.00 C ATOM 874 CG TRP A 54 -2.860 -2.687 2.662 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.197 -2.466 2.830 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.666 -2.940 1.267 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.846 -2.567 1.623 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.928 -2.856 0.648 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.548 -3.227 0.479 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.101 -3.050 -0.720 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.721 -3.420 -0.878 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.990 -3.331 -1.467 1.00 0.00 C ATOM 0 H TRP A 54 -0.349 -2.950 5.702 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.612 -4.373 4.757 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.057 -1.908 4.465 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.854 -2.378 3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.674 -2.244 3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.848 -2.446 1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.566 -3.297 0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.078 -2.981 -1.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.864 -3.643 -1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.092 -3.487 -2.531 1.00 0.00 H new ATOM 893 N PHE A 55 0.245 -4.886 3.173 1.00 0.00 N ATOM 894 CA PHE A 55 0.932 -5.797 2.265 1.00 0.00 C ATOM 895 C PHE A 55 0.864 -7.232 2.779 1.00 0.00 C ATOM 896 O PHE A 55 0.790 -8.179 1.997 1.00 0.00 O ATOM 897 CB PHE A 55 2.392 -5.374 2.092 1.00 0.00 C ATOM 898 CG PHE A 55 2.621 -4.483 0.904 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.081 -3.208 0.863 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.376 -4.922 -0.172 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.290 -2.386 -0.228 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.589 -4.104 -1.265 1.00 0.00 C ATOM 903 CZ PHE A 55 3.044 -2.835 -1.294 1.00 0.00 C ATOM 0 H PHE A 55 0.832 -4.141 3.547 1.00 0.00 H new ATOM 0 HA PHE A 55 0.431 -5.752 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.721 -4.857 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.011 -6.266 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.490 -2.852 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.802 -5.914 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.864 -1.394 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.181 -4.457 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.207 -2.195 -2.149 1.00 0.00 H new ATOM 913 N GLN A 56 0.890 -7.383 4.099 1.00 0.00 N ATOM 914 CA GLN A 56 0.833 -8.702 4.718 1.00 0.00 C ATOM 915 C GLN A 56 -0.595 -9.237 4.729 1.00 0.00 C ATOM 916 O GLN A 56 -0.847 -10.370 4.322 1.00 0.00 O ATOM 917 CB GLN A 56 1.379 -8.643 6.146 1.00 0.00 C ATOM 918 CG GLN A 56 2.891 -8.775 6.225 1.00 0.00 C ATOM 919 CD GLN A 56 3.371 -10.180 5.917 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.569 -11.097 5.736 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.686 -10.356 5.855 1.00 0.00 N ATOM 0 H GLN A 56 0.950 -6.609 4.760 1.00 0.00 H new ATOM 0 HA GLN A 56 1.451 -9.379 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.081 -7.699 6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.922 -9.439 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.350 -8.077 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.225 -8.492 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.314 -9.568 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.068 -11.279 5.651 1.00 0.00 H new ATOM 930 N ASN A 57 -1.527 -8.413 5.198 1.00 0.00 N ATOM 931 CA ASN A 57 -2.930 -8.804 5.263 1.00 0.00 C ATOM 932 C ASN A 57 -3.451 -9.193 3.882 1.00 0.00 C ATOM 933 O ASN A 57 -4.415 -9.949 3.761 1.00 0.00 O ATOM 934 CB ASN A 57 -3.773 -7.663 5.836 1.00 0.00 C ATOM 935 CG ASN A 57 -3.901 -7.741 7.345 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.006 -7.821 7.882 1.00 0.00 O ATOM 937 ND2 ASN A 57 -2.768 -7.718 8.037 1.00 0.00 N ATOM 0 H ASN A 57 -1.336 -7.471 5.538 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.010 -9.671 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.323 -6.709 5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.766 -7.688 5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.791 -7.768 9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.874 -7.651 7.550 1.00 0.00 H new ATOM 944 N ARG A 58 -2.807 -8.669 2.844 1.00 0.00 N ATOM 945 CA ARG A 58 -3.205 -8.960 1.472 1.00 0.00 C ATOM 946 C ARG A 58 -2.750 -10.356 1.058 1.00 0.00 C ATOM 947 O ARG A 58 -3.533 -11.143 0.526 1.00 0.00 O ATOM 948 CB ARG A 58 -2.622 -7.917 0.517 1.00 0.00 C ATOM 949 CG ARG A 58 -3.676 -7.105 -0.216 1.00 0.00 C ATOM 950 CD ARG A 58 -4.656 -8.002 -0.955 1.00 0.00 C ATOM 951 NE ARG A 58 -3.975 -9.045 -1.717 1.00 0.00 N ATOM 952 CZ ARG A 58 -4.606 -10.051 -2.312 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.926 -10.149 -2.235 1.00 0.00 N ATOM 954 NH2 ARG A 58 -3.917 -10.962 -2.988 1.00 0.00 N ATOM 0 H ARG A 58 -2.008 -8.041 2.927 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.293 -8.922 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.981 -7.239 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.990 -8.420 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.217 -6.482 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.192 -6.433 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.337 -8.462 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.263 -7.398 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.959 -8.998 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.460 -9.451 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.408 -10.923 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.901 -10.890 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.403 -11.734 -3.444 1.00 0.00 H new ATOM 968 N ARG A 59 -1.479 -10.656 1.306 1.00 0.00 N ATOM 969 CA ARG A 59 -0.919 -11.956 0.958 1.00 0.00 C ATOM 970 C ARG A 59 -1.517 -13.057 1.829 1.00 0.00 C ATOM 971 O ARG A 59 -1.910 -14.112 1.331 1.00 0.00 O ATOM 972 CB ARG A 59 0.603 -11.938 1.114 1.00 0.00 C ATOM 973 CG ARG A 59 1.351 -11.910 -0.209 1.00 0.00 C ATOM 974 CD ARG A 59 2.670 -12.661 -0.119 1.00 0.00 C ATOM 975 NE ARG A 59 2.628 -13.930 -0.840 1.00 0.00 N ATOM 976 CZ ARG A 59 3.698 -14.685 -1.063 1.00 0.00 C ATOM 977 NH1 ARG A 59 4.888 -14.299 -0.624 1.00 0.00 N ATOM 978 NH2 ARG A 59 3.579 -15.827 -1.727 1.00 0.00 N ATOM 0 H ARG A 59 -0.818 -10.016 1.747 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.169 -12.164 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.889 -11.066 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.912 -12.818 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.731 -12.353 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.539 -10.877 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.469 -12.040 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.911 -12.847 0.928 1.00 0.00 H new ATOM 0 HE ARG A 59 1.727 -14.255 -1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.983 -13.421 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.708 -14.880 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.665 -16.126 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.401 -16.406 -1.898 1.00 0.00 H new ATOM 992 N VAL A 60 -1.582 -12.804 3.132 1.00 0.00 N ATOM 993 CA VAL A 60 -2.132 -13.772 4.073 1.00 0.00 C ATOM 994 C VAL A 60 -3.569 -14.132 3.713 1.00 0.00 C ATOM 995 O VAL A 60 -4.072 -15.187 4.099 1.00 0.00 O ATOM 996 CB VAL A 60 -2.095 -13.237 5.516 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.613 -14.286 6.489 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.684 -12.805 5.887 1.00 0.00 C ATOM 0 H VAL A 60 -1.260 -11.936 3.560 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.509 -14.664 4.009 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.747 -12.365 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.579 -13.889 7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.641 -14.543 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.990 -15.178 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.676 -12.429 6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.010 -13.658 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.354 -12.018 5.209 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.226 -13.248 2.970 1.00 0.00 N ATOM 1009 CA LYS A 61 -5.606 -13.472 2.555 1.00 0.00 C ATOM 1010 C LYS A 61 -5.676 -14.497 1.428 1.00 0.00 C ATOM 1011 O LYS A 61 -6.653 -15.235 1.309 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.244 -12.156 2.102 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.252 -11.597 3.090 1.00 0.00 C ATOM 1014 CD LYS A 61 -7.686 -10.191 2.709 1.00 0.00 C ATOM 1015 CE LYS A 61 -8.173 -9.410 3.920 1.00 0.00 C ATOM 1016 NZ LYS A 61 -9.513 -9.872 4.376 1.00 0.00 N ATOM 0 H LYS A 61 -3.825 -12.369 2.643 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.158 -13.861 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.458 -11.418 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.737 -12.312 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.124 -12.250 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.816 -11.586 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.851 -9.664 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.481 -10.244 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.456 -9.517 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.219 -8.349 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.809 -9.315 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.203 -9.746 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.464 -10.878 4.636 1.00 0.00 H new ATOM 1030 N GLU A 62 -4.633 -14.538 0.605 1.00 0.00 N ATOM 1031 CA GLU A 62 -4.577 -15.474 -0.511 1.00 0.00 C ATOM 1032 C GLU A 62 -3.761 -16.711 -0.144 1.00 0.00 C ATOM 1033 O GLU A 62 -3.241 -17.407 -1.016 1.00 0.00 O ATOM 1034 CB GLU A 62 -3.973 -14.798 -1.743 1.00 0.00 C ATOM 1035 CG GLU A 62 -2.602 -14.193 -1.495 1.00 0.00 C ATOM 1036 CD GLU A 62 -1.810 -13.998 -2.773 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -2.029 -12.977 -3.458 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -0.970 -14.867 -3.088 1.00 0.00 O ATOM 0 H GLU A 62 -3.816 -13.934 0.690 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.596 -15.787 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.898 -15.529 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.650 -14.015 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.718 -13.232 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.041 -14.839 -0.819 1.00 0.00 H new ATOM 1045 N LYS A 63 -3.653 -16.977 1.153 1.00 0.00 N ATOM 1046 CA LYS A 63 -2.902 -18.129 1.638 1.00 0.00 C ATOM 1047 C LYS A 63 -3.832 -19.302 1.930 1.00 0.00 C ATOM 1048 O LYS A 63 -3.455 -20.463 1.768 1.00 0.00 O ATOM 1049 CB LYS A 63 -2.119 -17.759 2.899 1.00 0.00 C ATOM 1050 CG LYS A 63 -0.724 -17.227 2.616 1.00 0.00 C ATOM 1051 CD LYS A 63 0.238 -18.349 2.263 1.00 0.00 C ATOM 1052 CE LYS A 63 0.909 -18.918 3.504 1.00 0.00 C ATOM 1053 NZ LYS A 63 2.014 -19.855 3.157 1.00 0.00 N ATOM 0 H LYS A 63 -4.076 -16.410 1.888 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.202 -18.429 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.679 -17.008 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.040 -18.638 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.766 -16.511 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.354 -16.690 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.300 -19.142 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.997 -17.976 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.302 -18.102 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.168 -19.439 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.446 -20.221 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.635 -20.647 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.734 -19.352 2.599 1.00 0.00 H new ATOM 1067 N LYS A 64 -5.051 -18.992 2.360 1.00 0.00 N ATOM 1068 CA LYS A 64 -6.037 -20.019 2.673 1.00 0.00 C ATOM 1069 C LYS A 64 -6.844 -20.393 1.434 1.00 0.00 C ATOM 1070 O LYS A 64 -7.766 -19.677 1.043 1.00 0.00 O ATOM 1071 CB LYS A 64 -6.976 -19.534 3.779 1.00 0.00 C ATOM 1072 CG LYS A 64 -6.423 -19.737 5.179 1.00 0.00 C ATOM 1073 CD LYS A 64 -5.489 -18.607 5.579 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.258 -17.336 5.902 1.00 0.00 C ATOM 1075 NZ LYS A 64 -7.133 -17.505 7.096 1.00 0.00 N ATOM 0 H LYS A 64 -5.379 -18.036 2.500 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.505 -20.905 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.183 -18.474 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.927 -20.060 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.246 -19.799 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.889 -20.686 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.902 -18.909 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.785 -18.412 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.555 -16.522 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.866 -17.051 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.371 -16.571 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.006 -17.997 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.633 -18.065 7.816 1.00 0.00 H new ATOM 1089 N SER A 65 -6.493 -21.519 0.822 1.00 0.00 N ATOM 1090 CA SER A 65 -7.184 -21.987 -0.374 1.00 0.00 C ATOM 1091 C SER A 65 -8.545 -22.578 -0.019 1.00 0.00 C ATOM 1092 O SER A 65 -8.868 -22.760 1.153 1.00 0.00 O ATOM 1093 CB SER A 65 -6.336 -23.032 -1.103 1.00 0.00 C ATOM 1094 OG SER A 65 -5.451 -22.418 -2.024 1.00 0.00 O ATOM 0 H SER A 65 -5.734 -22.125 1.135 1.00 0.00 H new ATOM 0 HA SER A 65 -7.339 -21.132 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.766 -23.613 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.987 -23.730 -1.629 1.00 0.00 H new ATOM 0 HG SER A 65 -4.919 -23.106 -2.475 1.00 0.00 H new ATOM 1100 N GLY A 66 -9.339 -22.874 -1.044 1.00 0.00 N ATOM 1101 CA GLY A 66 -10.657 -23.441 -0.820 1.00 0.00 C ATOM 1102 C GLY A 66 -11.430 -23.637 -2.110 1.00 0.00 C ATOM 1103 O GLY A 66 -11.584 -24.754 -2.603 1.00 0.00 O ATOM 0 H GLY A 66 -9.094 -22.732 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.555 -24.400 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.223 -22.787 -0.157 1.00 0.00 H new ATOM 1107 N PRO A 67 -11.934 -22.530 -2.675 1.00 0.00 N ATOM 1108 CA PRO A 67 -12.705 -22.559 -3.922 1.00 0.00 C ATOM 1109 C PRO A 67 -11.840 -22.901 -5.130 1.00 0.00 C ATOM 1110 O PRO A 67 -10.737 -22.377 -5.285 1.00 0.00 O ATOM 1111 CB PRO A 67 -13.245 -21.131 -4.038 1.00 0.00 C ATOM 1112 CG PRO A 67 -12.280 -20.297 -3.268 1.00 0.00 C ATOM 1113 CD PRO A 67 -11.789 -21.165 -2.142 1.00 0.00 C ATOM 0 HA PRO A 67 -13.482 -23.323 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.301 -20.812 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.251 -21.054 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.453 -19.973 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.761 -19.397 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.754 -20.942 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.380 -21.022 -1.237 1.00 0.00 H new ATOM 1121 N SER A 68 -12.348 -23.784 -5.985 1.00 0.00 N ATOM 1122 CA SER A 68 -11.621 -24.198 -7.179 1.00 0.00 C ATOM 1123 C SER A 68 -12.360 -23.770 -8.442 1.00 0.00 C ATOM 1124 O SER A 68 -11.760 -23.239 -9.376 1.00 0.00 O ATOM 1125 CB SER A 68 -11.422 -25.715 -7.179 1.00 0.00 C ATOM 1126 OG SER A 68 -10.357 -26.090 -8.035 1.00 0.00 O ATOM 0 H SER A 68 -13.260 -24.226 -5.872 1.00 0.00 H new ATOM 0 HA SER A 68 -10.646 -23.710 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.216 -26.058 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.341 -26.205 -7.500 1.00 0.00 H new ATOM 0 HG SER A 68 -10.249 -27.064 -8.016 1.00 0.00 H new ATOM 1132 N SER A 69 -13.668 -24.006 -8.463 1.00 0.00 N ATOM 1133 CA SER A 69 -14.491 -23.649 -9.613 1.00 0.00 C ATOM 1134 C SER A 69 -15.708 -22.837 -9.179 1.00 0.00 C ATOM 1135 O SER A 69 -15.977 -21.765 -9.719 1.00 0.00 O ATOM 1136 CB SER A 69 -14.943 -24.909 -10.354 1.00 0.00 C ATOM 1137 OG SER A 69 -13.834 -25.613 -10.886 1.00 0.00 O ATOM 0 H SER A 69 -14.181 -24.443 -7.697 1.00 0.00 H new ATOM 0 HA SER A 69 -13.888 -23.037 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.496 -25.556 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.625 -24.636 -11.159 1.00 0.00 H new ATOM 0 HG SER A 69 -14.149 -26.415 -11.353 1.00 0.00 H new ATOM 1143 N GLY A 70 -16.440 -23.357 -8.199 1.00 0.00 N ATOM 1144 CA GLY A 70 -17.619 -22.668 -7.708 1.00 0.00 C ATOM 1145 C GLY A 70 -18.659 -23.622 -7.154 1.00 0.00 C ATOM 1146 O GLY A 70 -18.646 -23.944 -5.966 1.00 0.00 O ATOM 0 H GLY A 70 -16.238 -24.243 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.326 -21.963 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.059 -22.085 -8.517 1.00 0.00 H new TER 1150 GLY A 70