USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 541 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 Single : A 3 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00776 K(o=-0.0078,f=-0.95) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 14 MET CE :methyl -162:sc= -0.218 (180deg=-0.849) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0236 (180deg=-0.229) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 42:sc= 0.00327 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.326 K(o=-0.33,f=-5.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.682 X(o=-0.68,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0206) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 167:sc=-0.00194 (180deg=-0.141) USER MOD Single : A 42 SER OG : rot -64:sc= 0.392 USER MOD Single : A 50 ASN : amide:sc= -0.891 K(o=-0.89,f=-3.9) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.195) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -169:sc= 0 (180deg=-0.154) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.39) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.905 -20.239 15.580 1.00 1.42 N ATOM 2 CA PRO A 1 5.768 -18.779 15.593 1.00 21.13 C ATOM 3 C PRO A 1 5.917 -18.170 14.203 1.00 23.42 C ATOM 4 O PRO A 1 5.112 -17.335 13.791 1.00 21.24 O ATOM 5 CB PRO A 1 6.912 -18.324 16.502 1.00 5.42 C ATOM 6 CG PRO A 1 7.926 -19.412 16.409 1.00 10.43 C ATOM 7 CD PRO A 1 7.150 -20.686 16.228 1.00 75.44 C ATOM 0 H2 PRO A 1 5.887 -20.572 14.616 1.00 1.42 H new ATOM 0 H3 PRO A 1 5.106 -20.658 16.056 1.00 1.42 H new ATOM 0 HA PRO A 1 4.782 -18.465 15.936 1.00 21.13 H new ATOM 0 HB2 PRO A 1 7.324 -17.370 16.173 1.00 5.42 H new ATOM 0 HB3 PRO A 1 6.571 -18.187 17.528 1.00 5.42 H new ATOM 0 HG2 PRO A 1 8.602 -19.245 15.571 1.00 10.43 H new ATOM 0 HG3 PRO A 1 8.539 -19.453 17.310 1.00 10.43 H new ATOM 0 HD2 PRO A 1 7.691 -21.401 15.608 1.00 75.44 H new ATOM 0 HD3 PRO A 1 6.953 -21.175 17.182 1.00 75.44 H new ATOM 15 N ARG A 2 6.952 -18.594 13.485 1.00 72.24 N ATOM 16 CA ARG A 2 7.206 -18.090 12.141 1.00 44.24 C ATOM 17 C ARG A 2 6.612 -19.022 11.089 1.00 41.45 C ATOM 18 O ARG A 2 6.364 -20.197 11.355 1.00 12.42 O ATOM 19 CB ARG A 2 8.710 -17.934 11.908 1.00 43.41 C ATOM 20 CG ARG A 2 9.288 -16.655 12.493 1.00 34.22 C ATOM 21 CD ARG A 2 9.785 -16.868 13.914 1.00 33.15 C ATOM 22 NE ARG A 2 9.550 -15.699 14.757 1.00 2.33 N ATOM 23 CZ ARG A 2 9.887 -15.639 16.041 1.00 51.41 C ATOM 24 NH1 ARG A 2 10.470 -16.676 16.626 1.00 11.41 N ATOM 25 NH2 ARG A 2 9.641 -14.539 16.742 1.00 72.02 N ATOM 0 H ARG A 2 7.628 -19.285 13.811 1.00 72.24 H new ATOM 0 HA ARG A 2 6.727 -17.115 12.049 1.00 44.24 H new ATOM 0 HB2 ARG A 2 9.227 -18.789 12.344 1.00 43.41 H new ATOM 0 HB3 ARG A 2 8.907 -17.955 10.836 1.00 43.41 H new ATOM 0 HG2 ARG A 2 10.110 -16.306 11.867 1.00 34.22 H new ATOM 0 HG3 ARG A 2 8.528 -15.874 12.485 1.00 34.22 H new ATOM 0 HD2 ARG A 2 9.284 -17.734 14.347 1.00 33.15 H new ATOM 0 HD3 ARG A 2 10.851 -17.093 13.895 1.00 33.15 H new ATOM 0 HE ARG A 2 9.103 -14.884 14.337 1.00 2.33 H new ATOM 0 HH11 ARG A 2 10.661 -17.523 16.090 1.00 11.41 H new ATOM 0 HH12 ARG A 2 10.728 -16.627 17.612 1.00 11.41 H new ATOM 0 HH21 ARG A 2 9.193 -13.739 16.295 1.00 72.02 H new ATOM 0 HH22 ARG A 2 9.900 -14.494 17.728 1.00 72.02 H new ATOM 39 N ASN A 3 6.386 -18.488 9.892 1.00 2.25 N ATOM 40 CA ASN A 3 5.820 -19.271 8.800 1.00 20.24 C ATOM 41 C ASN A 3 6.865 -19.532 7.719 1.00 34.15 C ATOM 42 O ASN A 3 6.992 -18.765 6.764 1.00 33.14 O ATOM 43 CB ASN A 3 4.615 -18.547 8.197 1.00 41.23 C ATOM 44 CG ASN A 3 3.309 -18.951 8.853 1.00 60.54 C ATOM 45 OD1 ASN A 3 3.305 -19.003 10.180 1.00 61.41 O flip ATOM 46 ND2 ASN A 3 2.316 -19.214 8.174 1.00 55.05 N flip ATOM 0 H ASN A 3 6.586 -17.516 9.655 1.00 2.25 H new ATOM 0 HA ASN A 3 5.494 -20.230 9.204 1.00 20.24 H new ATOM 0 HB2 ASN A 3 4.752 -17.471 8.300 1.00 41.23 H new ATOM 0 HB3 ASN A 3 4.563 -18.761 7.129 1.00 41.23 H new ATOM 0 HD21 ASN A 3 2.365 -19.161 7.157 1.00 55.05 H new ATOM 0 HD22 ASN A 3 1.444 -19.485 8.629 1.00 55.05 H new ATOM 53 N THR A 4 7.611 -20.621 7.876 1.00 3.11 N ATOM 54 CA THR A 4 8.645 -20.983 6.915 1.00 61.50 C ATOM 55 C THR A 4 8.042 -21.648 5.683 1.00 54.11 C ATOM 56 O THR A 4 8.658 -21.679 4.618 1.00 43.42 O ATOM 57 CB THR A 4 9.684 -21.934 7.539 1.00 4.44 C ATOM 58 OG1 THR A 4 10.747 -22.176 6.611 1.00 41.33 O ATOM 59 CG2 THR A 4 9.041 -23.253 7.937 1.00 31.40 C ATOM 0 H THR A 4 7.518 -21.267 8.660 1.00 3.11 H new ATOM 0 HA THR A 4 9.140 -20.058 6.620 1.00 61.50 H new ATOM 0 HB THR A 4 10.086 -21.460 8.434 1.00 4.44 H new ATOM 0 HG1 THR A 4 11.404 -22.780 7.016 1.00 41.33 H new ATOM 0 HG21 THR A 4 9.795 -23.908 8.375 1.00 31.40 H new ATOM 0 HG22 THR A 4 8.253 -23.068 8.667 1.00 31.40 H new ATOM 0 HG23 THR A 4 8.614 -23.730 7.055 1.00 31.40 H new ATOM 67 N ARG A 5 6.832 -22.178 5.835 1.00 65.13 N ATOM 68 CA ARG A 5 6.146 -22.843 4.733 1.00 11.35 C ATOM 69 C ARG A 5 5.971 -21.895 3.551 1.00 53.42 C ATOM 70 O ARG A 5 5.856 -22.331 2.406 1.00 54.41 O ATOM 71 CB ARG A 5 4.781 -23.360 5.193 1.00 44.31 C ATOM 72 CG ARG A 5 4.029 -24.130 4.120 1.00 41.31 C ATOM 73 CD ARG A 5 3.096 -25.165 4.728 1.00 13.21 C ATOM 74 NE ARG A 5 3.821 -26.329 5.229 1.00 4.23 N ATOM 75 CZ ARG A 5 3.251 -27.506 5.463 1.00 2.43 C ATOM 76 NH1 ARG A 5 1.955 -27.673 5.242 1.00 32.41 N ATOM 77 NH2 ARG A 5 3.978 -28.518 5.919 1.00 4.41 N ATOM 0 H ARG A 5 6.307 -22.160 6.709 1.00 65.13 H new ATOM 0 HA ARG A 5 6.758 -23.686 4.412 1.00 11.35 H new ATOM 0 HB2 ARG A 5 4.920 -24.004 6.061 1.00 44.31 H new ATOM 0 HB3 ARG A 5 4.172 -22.516 5.517 1.00 44.31 H new ATOM 0 HG2 ARG A 5 3.454 -23.435 3.508 1.00 41.31 H new ATOM 0 HG3 ARG A 5 4.741 -24.624 3.459 1.00 41.31 H new ATOM 0 HD2 ARG A 5 2.533 -24.711 5.543 1.00 13.21 H new ATOM 0 HD3 ARG A 5 2.371 -25.484 3.979 1.00 13.21 H new ATOM 0 HE ARG A 5 4.820 -26.233 5.409 1.00 4.23 H new ATOM 0 HH11 ARG A 5 1.393 -26.897 4.892 1.00 32.41 H new ATOM 0 HH12 ARG A 5 1.519 -28.577 5.422 1.00 32.41 H new ATOM 0 HH21 ARG A 5 4.976 -28.393 6.090 1.00 4.41 H new ATOM 0 HH22 ARG A 5 3.539 -29.421 6.098 1.00 4.41 H new ATOM 91 N GLU A 6 5.951 -20.597 3.837 1.00 0.42 N ATOM 92 CA GLU A 6 5.788 -19.588 2.797 1.00 43.21 C ATOM 93 C GLU A 6 7.072 -19.430 1.986 1.00 34.34 C ATOM 94 O GLU A 6 7.099 -18.726 0.977 1.00 62.00 O ATOM 95 CB GLU A 6 5.394 -18.245 3.415 1.00 5.30 C ATOM 96 CG GLU A 6 6.544 -17.533 4.108 1.00 22.24 C ATOM 97 CD GLU A 6 6.076 -16.616 5.222 1.00 63.22 C ATOM 98 OE1 GLU A 6 6.759 -15.603 5.482 1.00 61.25 O ATOM 99 OE2 GLU A 6 5.028 -16.911 5.833 1.00 23.22 O ATOM 0 H GLU A 6 6.046 -20.220 4.780 1.00 0.42 H new ATOM 0 HA GLU A 6 4.994 -19.919 2.128 1.00 43.21 H new ATOM 0 HB2 GLU A 6 4.995 -17.598 2.634 1.00 5.30 H new ATOM 0 HB3 GLU A 6 4.592 -18.407 4.135 1.00 5.30 H new ATOM 0 HG2 GLU A 6 7.231 -18.274 4.517 1.00 22.24 H new ATOM 0 HG3 GLU A 6 7.102 -16.951 3.374 1.00 22.24 H new ATOM 106 N VAL A 7 8.134 -20.091 2.436 1.00 33.03 N ATOM 107 CA VAL A 7 9.420 -20.026 1.754 1.00 44.42 C ATOM 108 C VAL A 7 9.268 -20.317 0.265 1.00 2.40 C ATOM 109 O VAL A 7 10.026 -19.804 -0.559 1.00 73.33 O ATOM 110 CB VAL A 7 10.428 -21.020 2.360 1.00 64.33 C ATOM 111 CG1 VAL A 7 9.980 -22.453 2.112 1.00 11.53 C ATOM 112 CG2 VAL A 7 11.819 -20.782 1.790 1.00 32.43 C ATOM 0 H VAL A 7 8.128 -20.678 3.270 1.00 33.03 H new ATOM 0 HA VAL A 7 9.797 -19.012 1.886 1.00 44.42 H new ATOM 0 HB VAL A 7 10.469 -20.858 3.437 1.00 64.33 H new ATOM 0 HG11 VAL A 7 10.705 -23.141 2.547 1.00 11.53 H new ATOM 0 HG12 VAL A 7 9.005 -22.614 2.572 1.00 11.53 H new ATOM 0 HG13 VAL A 7 9.909 -22.632 1.039 1.00 11.53 H new ATOM 0 HG21 VAL A 7 12.519 -21.493 2.229 1.00 32.43 H new ATOM 0 HG22 VAL A 7 11.797 -20.916 0.708 1.00 32.43 H new ATOM 0 HG23 VAL A 7 12.139 -19.767 2.024 1.00 32.43 H new ATOM 122 N PHE A 8 8.283 -21.142 -0.073 1.00 64.32 N ATOM 123 CA PHE A 8 8.031 -21.503 -1.464 1.00 3.55 C ATOM 124 C PHE A 8 7.853 -20.256 -2.325 1.00 2.42 C ATOM 125 O PHE A 8 8.186 -20.254 -3.510 1.00 15.04 O ATOM 126 CB PHE A 8 6.788 -22.388 -1.566 1.00 31.44 C ATOM 127 CG PHE A 8 5.498 -21.622 -1.492 1.00 22.00 C ATOM 128 CD1 PHE A 8 4.650 -21.561 -2.586 1.00 33.14 C ATOM 129 CD2 PHE A 8 5.135 -20.962 -0.329 1.00 74.11 C ATOM 130 CE1 PHE A 8 3.462 -20.857 -2.521 1.00 70.01 C ATOM 131 CE2 PHE A 8 3.948 -20.257 -0.259 1.00 1.05 C ATOM 132 CZ PHE A 8 3.111 -20.203 -1.356 1.00 63.32 C ATOM 0 H PHE A 8 7.646 -21.573 0.597 1.00 64.32 H new ATOM 0 HA PHE A 8 8.894 -22.057 -1.832 1.00 3.55 H new ATOM 0 HB2 PHE A 8 6.820 -22.939 -2.506 1.00 31.44 H new ATOM 0 HB3 PHE A 8 6.810 -23.125 -0.763 1.00 31.44 H new ATOM 0 HD1 PHE A 8 4.920 -22.069 -3.500 1.00 33.14 H new ATOM 0 HD2 PHE A 8 5.786 -20.999 0.532 1.00 74.11 H new ATOM 0 HE1 PHE A 8 2.809 -20.818 -3.380 1.00 70.01 H new ATOM 0 HE2 PHE A 8 3.675 -19.748 0.654 1.00 1.05 H new ATOM 0 HZ PHE A 8 2.184 -19.651 -1.303 1.00 63.32 H new ATOM 142 N ALA A 9 7.326 -19.196 -1.720 1.00 31.33 N ATOM 143 CA ALA A 9 7.105 -17.943 -2.430 1.00 14.44 C ATOM 144 C ALA A 9 8.350 -17.064 -2.393 1.00 1.53 C ATOM 145 O ALA A 9 8.514 -16.169 -3.222 1.00 71.53 O ATOM 146 CB ALA A 9 5.916 -17.202 -1.835 1.00 72.10 C ATOM 0 H ALA A 9 7.044 -19.181 -0.740 1.00 31.33 H new ATOM 0 HA ALA A 9 6.889 -18.178 -3.472 1.00 14.44 H new ATOM 0 HB1 ALA A 9 5.762 -16.268 -2.375 1.00 72.10 H new ATOM 0 HB2 ALA A 9 5.023 -17.821 -1.919 1.00 72.10 H new ATOM 0 HB3 ALA A 9 6.110 -16.986 -0.784 1.00 72.10 H new ATOM 152 N GLN A 10 9.224 -17.324 -1.426 1.00 11.34 N ATOM 153 CA GLN A 10 10.454 -16.554 -1.281 1.00 31.22 C ATOM 154 C GLN A 10 11.498 -17.000 -2.299 1.00 60.11 C ATOM 155 O GLN A 10 12.423 -16.255 -2.622 1.00 51.35 O ATOM 156 CB GLN A 10 11.010 -16.704 0.136 1.00 0.43 C ATOM 157 CG GLN A 10 9.964 -16.517 1.223 1.00 11.53 C ATOM 158 CD GLN A 10 9.373 -15.120 1.231 1.00 25.30 C ATOM 159 OE1 GLN A 10 8.587 -14.761 0.354 1.00 64.32 O ATOM 160 NE2 GLN A 10 9.750 -14.324 2.224 1.00 11.44 N ATOM 0 H GLN A 10 9.103 -18.061 -0.732 1.00 11.34 H new ATOM 0 HA GLN A 10 10.220 -15.505 -1.463 1.00 31.22 H new ATOM 0 HB2 GLN A 10 11.456 -17.693 0.239 1.00 0.43 H new ATOM 0 HB3 GLN A 10 11.809 -15.977 0.283 1.00 0.43 H new ATOM 0 HG2 GLN A 10 9.165 -17.245 1.082 1.00 11.53 H new ATOM 0 HG3 GLN A 10 10.414 -16.722 2.194 1.00 11.53 H new ATOM 0 HE21 GLN A 10 10.404 -14.663 2.930 1.00 11.44 H new ATOM 0 HE22 GLN A 10 9.386 -13.373 2.282 1.00 11.44 H new ATOM 169 N VAL A 11 11.344 -18.221 -2.801 1.00 60.24 N ATOM 170 CA VAL A 11 12.273 -18.767 -3.784 1.00 1.52 C ATOM 171 C VAL A 11 12.468 -17.804 -4.950 1.00 11.34 C ATOM 172 O VAL A 11 13.532 -17.767 -5.569 1.00 34.24 O ATOM 173 CB VAL A 11 11.783 -20.122 -4.328 1.00 3.32 C ATOM 174 CG1 VAL A 11 11.527 -21.094 -3.187 1.00 34.13 C ATOM 175 CG2 VAL A 11 10.532 -19.935 -5.172 1.00 74.31 C ATOM 0 H VAL A 11 10.585 -18.851 -2.543 1.00 60.24 H new ATOM 0 HA VAL A 11 13.225 -18.912 -3.273 1.00 1.52 H new ATOM 0 HB VAL A 11 12.562 -20.543 -4.963 1.00 3.32 H new ATOM 0 HG11 VAL A 11 11.181 -22.046 -3.590 1.00 34.13 H new ATOM 0 HG12 VAL A 11 12.450 -21.250 -2.628 1.00 34.13 H new ATOM 0 HG13 VAL A 11 10.766 -20.684 -2.523 1.00 34.13 H new ATOM 0 HG21 VAL A 11 10.199 -20.902 -5.549 1.00 74.31 H new ATOM 0 HG22 VAL A 11 9.744 -19.492 -4.562 1.00 74.31 H new ATOM 0 HG23 VAL A 11 10.754 -19.276 -6.011 1.00 74.31 H new ATOM 185 N LYS A 12 11.433 -17.024 -5.245 1.00 5.44 N ATOM 186 CA LYS A 12 11.490 -16.058 -6.335 1.00 55.34 C ATOM 187 C LYS A 12 12.176 -14.771 -5.888 1.00 13.00 C ATOM 188 O LYS A 12 12.858 -14.116 -6.675 1.00 10.51 O ATOM 189 CB LYS A 12 10.079 -15.747 -6.842 1.00 2.34 C ATOM 190 CG LYS A 12 9.259 -14.907 -5.878 1.00 53.42 C ATOM 191 CD LYS A 12 7.792 -15.304 -5.902 1.00 2.04 C ATOM 192 CE LYS A 12 7.081 -14.740 -7.122 1.00 44.03 C ATOM 193 NZ LYS A 12 6.961 -15.750 -8.210 1.00 33.12 N ATOM 0 H LYS A 12 10.545 -17.042 -4.744 1.00 5.44 H new ATOM 0 HA LYS A 12 12.073 -16.496 -7.145 1.00 55.34 H new ATOM 0 HB2 LYS A 12 10.151 -15.224 -7.796 1.00 2.34 H new ATOM 0 HB3 LYS A 12 9.555 -16.684 -7.031 1.00 2.34 H new ATOM 0 HG2 LYS A 12 9.652 -15.023 -4.868 1.00 53.42 H new ATOM 0 HG3 LYS A 12 9.356 -13.853 -6.139 1.00 53.42 H new ATOM 0 HD2 LYS A 12 7.708 -16.391 -5.901 1.00 2.04 H new ATOM 0 HD3 LYS A 12 7.302 -14.946 -4.996 1.00 2.04 H new ATOM 0 HE2 LYS A 12 6.088 -14.394 -6.836 1.00 44.03 H new ATOM 0 HE3 LYS A 12 7.627 -13.872 -7.491 1.00 44.03 H new ATOM 0 HZ1 LYS A 12 6.471 -15.327 -9.024 1.00 33.12 H new ATOM 0 HZ2 LYS A 12 7.910 -16.061 -8.501 1.00 33.12 H new ATOM 0 HZ3 LYS A 12 6.419 -16.568 -7.866 1.00 33.12 H new ATOM 207 N GLN A 13 11.991 -14.417 -4.620 1.00 71.12 N ATOM 208 CA GLN A 13 12.593 -13.209 -4.069 1.00 44.03 C ATOM 209 C GLN A 13 14.104 -13.210 -4.279 1.00 40.43 C ATOM 210 O GLN A 13 14.705 -12.166 -4.533 1.00 64.30 O ATOM 211 CB GLN A 13 12.274 -13.089 -2.578 1.00 50.22 C ATOM 212 CG GLN A 13 10.814 -12.776 -2.292 1.00 61.11 C ATOM 213 CD GLN A 13 10.615 -12.092 -0.954 1.00 42.41 C ATOM 214 OE1 GLN A 13 9.877 -11.112 -0.849 1.00 14.04 O ATOM 215 NE2 GLN A 13 11.275 -12.605 0.078 1.00 72.13 N ATOM 0 H GLN A 13 11.429 -14.949 -3.956 1.00 71.12 H new ATOM 0 HA GLN A 13 12.172 -12.351 -4.594 1.00 44.03 H new ATOM 0 HB2 GLN A 13 12.541 -14.022 -2.081 1.00 50.22 H new ATOM 0 HB3 GLN A 13 12.897 -12.307 -2.143 1.00 50.22 H new ATOM 0 HG2 GLN A 13 10.421 -12.138 -3.084 1.00 61.11 H new ATOM 0 HG3 GLN A 13 10.237 -13.701 -2.312 1.00 61.11 H new ATOM 0 HE21 GLN A 13 11.876 -13.418 -0.054 1.00 72.13 H new ATOM 0 HE22 GLN A 13 11.181 -12.186 1.003 1.00 72.13 H new ATOM 224 N MET A 14 14.711 -14.387 -4.171 1.00 50.03 N ATOM 225 CA MET A 14 16.152 -14.523 -4.350 1.00 51.34 C ATOM 226 C MET A 14 16.479 -15.722 -5.235 1.00 42.40 C ATOM 227 O MET A 14 16.337 -16.871 -4.817 1.00 1.12 O ATOM 228 CB MET A 14 16.844 -14.671 -2.994 1.00 42.32 C ATOM 229 CG MET A 14 16.157 -15.658 -2.065 1.00 73.35 C ATOM 230 SD MET A 14 16.945 -15.754 -0.447 1.00 23.12 S ATOM 231 CE MET A 14 18.644 -16.073 -0.916 1.00 61.32 C ATOM 0 H MET A 14 14.228 -15.260 -3.960 1.00 50.03 H new ATOM 0 HA MET A 14 16.519 -13.621 -4.840 1.00 51.34 H new ATOM 0 HB2 MET A 14 17.873 -14.992 -3.154 1.00 42.32 H new ATOM 0 HB3 MET A 14 16.885 -13.696 -2.508 1.00 42.32 H new ATOM 0 HG2 MET A 14 15.114 -15.367 -1.940 1.00 73.35 H new ATOM 0 HG3 MET A 14 16.160 -16.646 -2.525 1.00 73.35 H new ATOM 0 HE1 MET A 14 19.189 -16.470 -0.060 1.00 61.32 H new ATOM 0 HE2 MET A 14 18.667 -16.799 -1.729 1.00 61.32 H new ATOM 0 HE3 MET A 14 19.111 -15.145 -1.245 1.00 61.32 H new ATOM 241 N TYR A 15 16.917 -15.446 -6.458 1.00 63.24 N ATOM 242 CA TYR A 15 17.262 -16.502 -7.403 1.00 30.44 C ATOM 243 C TYR A 15 18.754 -16.484 -7.720 1.00 1.20 C ATOM 244 O TYR A 15 19.355 -17.521 -8.001 1.00 33.21 O ATOM 245 CB TYR A 15 16.453 -16.347 -8.691 1.00 61.15 C ATOM 246 CG TYR A 15 16.909 -15.194 -9.557 1.00 71.43 C ATOM 247 CD1 TYR A 15 16.454 -13.902 -9.324 1.00 21.34 C ATOM 248 CD2 TYR A 15 17.793 -15.397 -10.609 1.00 64.13 C ATOM 249 CE1 TYR A 15 16.867 -12.846 -10.112 1.00 62.03 C ATOM 250 CE2 TYR A 15 18.213 -14.347 -11.402 1.00 50.42 C ATOM 251 CZ TYR A 15 17.747 -13.073 -11.150 1.00 60.20 C ATOM 252 OH TYR A 15 18.162 -12.024 -11.939 1.00 35.35 O ATOM 0 H TYR A 15 17.042 -14.500 -6.819 1.00 63.24 H new ATOM 0 HA TYR A 15 17.019 -17.460 -6.943 1.00 30.44 H new ATOM 0 HB2 TYR A 15 16.520 -17.271 -9.266 1.00 61.15 H new ATOM 0 HB3 TYR A 15 15.403 -16.206 -8.436 1.00 61.15 H new ATOM 0 HD1 TYR A 15 15.765 -13.720 -8.512 1.00 21.34 H new ATOM 0 HD2 TYR A 15 18.158 -16.393 -10.810 1.00 64.13 H new ATOM 0 HE1 TYR A 15 16.503 -11.848 -9.917 1.00 62.03 H new ATOM 0 HE2 TYR A 15 18.902 -14.522 -12.215 1.00 50.42 H new ATOM 0 HH TYR A 15 18.781 -12.354 -12.623 1.00 35.35 H new ATOM 262 N LYS A 16 19.347 -15.296 -7.673 1.00 5.14 N ATOM 263 CA LYS A 16 20.770 -15.139 -7.953 1.00 12.24 C ATOM 264 C LYS A 16 21.609 -15.979 -6.995 1.00 12.32 C ATOM 265 O LYS A 16 22.046 -15.497 -5.949 1.00 42.33 O ATOM 266 CB LYS A 16 21.173 -13.666 -7.843 1.00 75.43 C ATOM 267 CG LYS A 16 20.981 -12.886 -9.132 1.00 63.35 C ATOM 268 CD LYS A 16 21.468 -11.454 -8.995 1.00 3.43 C ATOM 269 CE LYS A 16 20.662 -10.688 -7.957 1.00 21.35 C ATOM 270 NZ LYS A 16 19.224 -10.591 -8.332 1.00 24.20 N ATOM 0 H LYS A 16 18.864 -14.427 -7.444 1.00 5.14 H new ATOM 0 HA LYS A 16 20.955 -15.485 -8.970 1.00 12.24 H new ATOM 0 HB2 LYS A 16 20.588 -13.196 -7.053 1.00 75.43 H new ATOM 0 HB3 LYS A 16 22.219 -13.605 -7.544 1.00 75.43 H new ATOM 0 HG2 LYS A 16 21.521 -13.379 -9.940 1.00 63.35 H new ATOM 0 HG3 LYS A 16 19.926 -12.888 -9.406 1.00 63.35 H new ATOM 0 HD2 LYS A 16 22.521 -11.452 -8.713 1.00 3.43 H new ATOM 0 HD3 LYS A 16 21.395 -10.950 -9.959 1.00 3.43 H new ATOM 0 HE2 LYS A 16 20.752 -11.182 -6.990 1.00 21.35 H new ATOM 0 HE3 LYS A 16 21.076 -9.686 -7.843 1.00 21.35 H new ATOM 0 HZ1 LYS A 16 18.758 -9.875 -7.739 1.00 24.20 H new ATOM 0 HZ2 LYS A 16 19.144 -10.318 -9.332 1.00 24.20 H new ATOM 0 HZ3 LYS A 16 18.764 -11.513 -8.187 1.00 24.20 H new ATOM 284 N THR A 17 21.832 -17.238 -7.359 1.00 13.23 N ATOM 285 CA THR A 17 22.619 -18.144 -6.532 1.00 74.32 C ATOM 286 C THR A 17 23.537 -19.010 -7.387 1.00 22.12 C ATOM 287 O THR A 17 23.690 -20.210 -7.157 1.00 73.14 O ATOM 288 CB THR A 17 21.715 -19.058 -5.683 1.00 13.21 C ATOM 289 OG1 THR A 17 20.595 -18.315 -5.187 1.00 61.33 O ATOM 290 CG2 THR A 17 22.490 -19.654 -4.518 1.00 30.31 C ATOM 0 H THR A 17 21.479 -17.653 -8.221 1.00 13.23 H new ATOM 0 HA THR A 17 23.222 -17.524 -5.869 1.00 74.32 H new ATOM 0 HB THR A 17 21.360 -19.871 -6.316 1.00 13.21 H new ATOM 0 HG1 THR A 17 20.024 -18.903 -4.650 1.00 61.33 H new ATOM 0 HG21 THR A 17 21.831 -20.296 -3.933 1.00 30.31 H new ATOM 0 HG22 THR A 17 23.325 -20.242 -4.899 1.00 30.31 H new ATOM 0 HG23 THR A 17 22.870 -18.852 -3.886 1.00 30.31 H new ATOM 298 N PRO A 18 24.166 -18.390 -8.397 1.00 14.14 N ATOM 299 CA PRO A 18 25.082 -19.086 -9.305 1.00 54.44 C ATOM 300 C PRO A 18 26.380 -19.494 -8.619 1.00 22.44 C ATOM 301 O PRO A 18 27.015 -18.689 -7.938 1.00 5.44 O ATOM 302 CB PRO A 18 25.357 -18.047 -10.395 1.00 41.42 C ATOM 303 CG PRO A 18 25.126 -16.732 -9.733 1.00 23.44 C ATOM 304 CD PRO A 18 24.031 -16.962 -8.728 1.00 53.44 C ATOM 0 HA PRO A 18 24.655 -20.016 -9.681 1.00 54.44 H new ATOM 0 HB2 PRO A 18 26.377 -18.127 -10.770 1.00 41.42 H new ATOM 0 HB3 PRO A 18 24.692 -18.183 -11.248 1.00 41.42 H new ATOM 0 HG2 PRO A 18 26.034 -16.375 -9.247 1.00 23.44 H new ATOM 0 HG3 PRO A 18 24.835 -15.974 -10.461 1.00 23.44 H new ATOM 0 HD2 PRO A 18 24.155 -16.332 -7.847 1.00 53.44 H new ATOM 0 HD3 PRO A 18 23.049 -16.737 -9.145 1.00 53.44 H new ATOM 312 N THR A 19 26.771 -20.752 -8.802 1.00 11.12 N ATOM 313 CA THR A 19 27.994 -21.268 -8.199 1.00 55.24 C ATOM 314 C THR A 19 28.829 -22.032 -9.220 1.00 3.11 C ATOM 315 O THR A 19 28.342 -22.961 -9.866 1.00 43.42 O ATOM 316 CB THR A 19 27.685 -22.194 -7.008 1.00 63.52 C ATOM 317 OG1 THR A 19 26.575 -23.042 -7.322 1.00 33.33 O ATOM 318 CG2 THR A 19 27.374 -21.384 -5.759 1.00 25.33 C ATOM 0 H THR A 19 26.258 -21.432 -9.363 1.00 11.12 H new ATOM 0 HA THR A 19 28.559 -20.407 -7.842 1.00 55.24 H new ATOM 0 HB THR A 19 28.566 -22.806 -6.814 1.00 63.52 H new ATOM 0 HG1 THR A 19 26.662 -23.367 -8.242 1.00 33.33 H new ATOM 0 HG21 THR A 19 27.159 -22.060 -4.931 1.00 25.33 H new ATOM 0 HG22 THR A 19 28.232 -20.762 -5.506 1.00 25.33 H new ATOM 0 HG23 THR A 19 26.507 -20.749 -5.943 1.00 25.33 H new ATOM 326 N LEU A 20 30.090 -21.637 -9.360 1.00 53.43 N ATOM 327 CA LEU A 20 30.995 -22.285 -10.303 1.00 33.42 C ATOM 328 C LEU A 20 32.010 -23.156 -9.571 1.00 25.54 C ATOM 329 O LEU A 20 32.128 -24.352 -9.840 1.00 64.01 O ATOM 330 CB LEU A 20 31.720 -21.237 -11.148 1.00 0.11 C ATOM 331 CG LEU A 20 32.519 -21.770 -12.338 1.00 4.44 C ATOM 332 CD1 LEU A 20 31.632 -22.609 -13.244 1.00 42.42 C ATOM 333 CD2 LEU A 20 33.147 -20.622 -13.116 1.00 14.04 C ATOM 0 H LEU A 20 30.509 -20.871 -8.832 1.00 53.43 H new ATOM 0 HA LEU A 20 30.402 -22.923 -10.958 1.00 33.42 H new ATOM 0 HB2 LEU A 20 30.982 -20.526 -11.520 1.00 0.11 H new ATOM 0 HB3 LEU A 20 32.398 -20.682 -10.500 1.00 0.11 H new ATOM 0 HG LEU A 20 33.319 -22.406 -11.959 1.00 4.44 H new ATOM 0 HD11 LEU A 20 32.218 -22.980 -14.085 1.00 42.42 H new ATOM 0 HD12 LEU A 20 31.231 -23.452 -12.681 1.00 42.42 H new ATOM 0 HD13 LEU A 20 30.810 -21.998 -13.616 1.00 42.42 H new ATOM 0 HD21 LEU A 20 33.712 -21.020 -13.959 1.00 14.04 H new ATOM 0 HD22 LEU A 20 32.363 -19.960 -13.484 1.00 14.04 H new ATOM 0 HD23 LEU A 20 33.817 -20.063 -12.462 1.00 14.04 H new ATOM 345 N LYS A 21 32.741 -22.550 -8.641 1.00 44.04 N ATOM 346 CA LYS A 21 33.745 -23.270 -7.867 1.00 3.44 C ATOM 347 C LYS A 21 33.111 -23.966 -6.667 1.00 75.01 C ATOM 348 O LYS A 21 33.604 -24.993 -6.200 1.00 44.33 O ATOM 349 CB LYS A 21 34.838 -22.309 -7.393 1.00 24.25 C ATOM 350 CG LYS A 21 35.439 -21.472 -8.509 1.00 31.41 C ATOM 351 CD LYS A 21 36.435 -20.459 -7.972 1.00 5.12 C ATOM 352 CE LYS A 21 37.741 -21.124 -7.562 1.00 53.32 C ATOM 353 NZ LYS A 21 38.805 -20.124 -7.271 1.00 10.32 N ATOM 0 H LYS A 21 32.657 -21.561 -8.405 1.00 44.04 H new ATOM 0 HA LYS A 21 34.190 -24.028 -8.511 1.00 3.44 H new ATOM 0 HB2 LYS A 21 34.422 -21.644 -6.636 1.00 24.25 H new ATOM 0 HB3 LYS A 21 35.631 -22.883 -6.913 1.00 24.25 H new ATOM 0 HG2 LYS A 21 35.934 -22.125 -9.228 1.00 31.41 H new ATOM 0 HG3 LYS A 21 34.644 -20.953 -9.044 1.00 31.41 H new ATOM 0 HD2 LYS A 21 36.633 -19.704 -8.733 1.00 5.12 H new ATOM 0 HD3 LYS A 21 36.004 -19.942 -7.115 1.00 5.12 H new ATOM 0 HE2 LYS A 21 37.573 -21.742 -6.680 1.00 53.32 H new ATOM 0 HE3 LYS A 21 38.076 -21.789 -8.358 1.00 53.32 H new ATOM 0 HZ1 LYS A 21 39.678 -20.617 -6.995 1.00 10.32 H new ATOM 0 HZ2 LYS A 21 38.984 -19.551 -8.120 1.00 10.32 H new ATOM 0 HZ3 LYS A 21 38.497 -19.505 -6.494 1.00 10.32 H new ATOM 367 N TYR A 22 32.014 -23.402 -6.174 1.00 34.21 N ATOM 368 CA TYR A 22 31.312 -23.969 -5.028 1.00 50.22 C ATOM 369 C TYR A 22 30.775 -25.360 -5.352 1.00 1.24 C ATOM 370 O TYR A 22 30.666 -26.216 -4.473 1.00 43.24 O ATOM 371 CB TYR A 22 30.163 -23.053 -4.603 1.00 3.31 C ATOM 372 CG TYR A 22 30.114 -22.795 -3.114 1.00 34.22 C ATOM 373 CD1 TYR A 22 29.963 -21.506 -2.617 1.00 20.54 C ATOM 374 CD2 TYR A 22 30.218 -23.840 -2.204 1.00 62.12 C ATOM 375 CE1 TYR A 22 29.918 -21.266 -1.257 1.00 32.21 C ATOM 376 CE2 TYR A 22 30.173 -23.609 -0.843 1.00 35.41 C ATOM 377 CZ TYR A 22 30.022 -22.321 -0.374 1.00 45.22 C ATOM 378 OH TYR A 22 29.978 -22.087 0.981 1.00 11.30 O ATOM 0 H TYR A 22 31.592 -22.553 -6.550 1.00 34.21 H new ATOM 0 HA TYR A 22 32.022 -24.056 -4.206 1.00 50.22 H new ATOM 0 HB2 TYR A 22 30.256 -22.101 -5.125 1.00 3.31 H new ATOM 0 HB3 TYR A 22 29.219 -23.498 -4.917 1.00 3.31 H new ATOM 0 HD1 TYR A 22 29.879 -20.678 -3.305 1.00 20.54 H new ATOM 0 HD2 TYR A 22 30.336 -24.850 -2.567 1.00 62.12 H new ATOM 0 HE1 TYR A 22 29.802 -20.258 -0.887 1.00 32.21 H new ATOM 0 HE2 TYR A 22 30.256 -24.433 -0.150 1.00 35.41 H new ATOM 0 HH TYR A 22 30.064 -22.936 1.463 1.00 11.30 H new ATOM 388 N PHE A 23 30.441 -25.578 -6.619 1.00 40.12 N ATOM 389 CA PHE A 23 29.915 -26.864 -7.061 1.00 31.33 C ATOM 390 C PHE A 23 31.024 -27.734 -7.646 1.00 50.50 C ATOM 391 O PHE A 23 30.783 -28.554 -8.530 1.00 62.14 O ATOM 392 CB PHE A 23 28.811 -26.658 -8.100 1.00 31.11 C ATOM 393 CG PHE A 23 27.878 -27.829 -8.223 1.00 54.51 C ATOM 394 CD1 PHE A 23 26.952 -28.101 -7.229 1.00 52.10 C ATOM 395 CD2 PHE A 23 27.927 -28.657 -9.333 1.00 14.40 C ATOM 396 CE1 PHE A 23 26.091 -29.177 -7.339 1.00 42.15 C ATOM 397 CE2 PHE A 23 27.068 -29.734 -9.449 1.00 44.31 C ATOM 398 CZ PHE A 23 26.150 -29.995 -8.451 1.00 4.14 C ATOM 0 H PHE A 23 30.525 -24.880 -7.358 1.00 40.12 H new ATOM 0 HA PHE A 23 29.497 -27.374 -6.193 1.00 31.33 H new ATOM 0 HB2 PHE A 23 28.235 -25.771 -7.836 1.00 31.11 H new ATOM 0 HB3 PHE A 23 29.268 -26.464 -9.070 1.00 31.11 H new ATOM 0 HD1 PHE A 23 26.902 -27.465 -6.358 1.00 52.10 H new ATOM 0 HD2 PHE A 23 28.644 -28.459 -10.116 1.00 14.40 H new ATOM 0 HE1 PHE A 23 25.374 -29.378 -6.557 1.00 42.15 H new ATOM 0 HE2 PHE A 23 27.115 -30.371 -10.320 1.00 44.31 H new ATOM 0 HZ PHE A 23 25.479 -30.837 -8.539 1.00 4.14 H new ATOM 408 N GLY A 24 32.241 -27.546 -7.145 1.00 64.12 N ATOM 409 CA GLY A 24 33.370 -28.319 -7.630 1.00 40.10 C ATOM 410 C GLY A 24 33.779 -29.415 -6.666 1.00 72.34 C ATOM 411 O GLY A 24 33.639 -29.269 -5.453 1.00 14.01 O ATOM 0 H GLY A 24 32.465 -26.873 -6.412 1.00 64.12 H new ATOM 0 HA2 GLY A 24 33.116 -28.762 -8.593 1.00 40.10 H new ATOM 0 HA3 GLY A 24 34.216 -27.653 -7.799 1.00 40.10 H new ATOM 415 N GLY A 25 34.285 -30.519 -7.208 1.00 71.11 N ATOM 416 CA GLY A 25 34.706 -31.629 -6.374 1.00 34.44 C ATOM 417 C GLY A 25 34.930 -32.900 -7.169 1.00 33.10 C ATOM 418 O GLY A 25 33.977 -33.594 -7.526 1.00 23.03 O ATOM 0 H GLY A 25 34.411 -30.664 -8.210 1.00 71.11 H new ATOM 0 HA2 GLY A 25 35.627 -31.361 -5.856 1.00 34.44 H new ATOM 0 HA3 GLY A 25 33.951 -31.811 -5.609 1.00 34.44 H new ATOM 422 N PHE A 26 36.192 -33.206 -7.449 1.00 42.25 N ATOM 423 CA PHE A 26 36.539 -34.401 -8.211 1.00 14.55 C ATOM 424 C PHE A 26 37.488 -35.294 -7.418 1.00 3.11 C ATOM 425 O PHE A 26 38.432 -34.813 -6.792 1.00 63.44 O ATOM 426 CB PHE A 26 37.179 -34.013 -9.545 1.00 22.11 C ATOM 427 CG PHE A 26 36.338 -33.076 -10.364 1.00 3.01 C ATOM 428 CD1 PHE A 26 36.901 -31.956 -10.955 1.00 72.42 C ATOM 429 CD2 PHE A 26 34.985 -33.315 -10.542 1.00 0.40 C ATOM 430 CE1 PHE A 26 36.130 -31.092 -11.710 1.00 31.21 C ATOM 431 CE2 PHE A 26 34.209 -32.454 -11.296 1.00 23.32 C ATOM 432 CZ PHE A 26 34.782 -31.341 -11.879 1.00 61.14 C ATOM 0 H PHE A 26 36.992 -32.643 -7.160 1.00 42.25 H new ATOM 0 HA PHE A 26 35.622 -34.958 -8.405 1.00 14.55 H new ATOM 0 HB2 PHE A 26 38.146 -33.547 -9.353 1.00 22.11 H new ATOM 0 HB3 PHE A 26 37.370 -34.917 -10.124 1.00 22.11 H new ATOM 0 HD1 PHE A 26 37.954 -31.756 -10.824 1.00 72.42 H new ATOM 0 HD2 PHE A 26 34.531 -34.183 -10.087 1.00 0.40 H new ATOM 0 HE1 PHE A 26 36.581 -30.224 -12.167 1.00 31.21 H new ATOM 0 HE2 PHE A 26 33.156 -32.652 -11.429 1.00 23.32 H new ATOM 0 HZ PHE A 26 34.177 -30.666 -12.466 1.00 61.14 H new ATOM 442 N ASN A 27 37.230 -36.597 -7.450 1.00 32.25 N ATOM 443 CA ASN A 27 38.060 -37.559 -6.733 1.00 43.35 C ATOM 444 C ASN A 27 38.582 -38.637 -7.679 1.00 3.35 C ATOM 445 O ASN A 27 37.833 -39.184 -8.488 1.00 30.24 O ATOM 446 CB ASN A 27 37.265 -38.203 -5.596 1.00 64.31 C ATOM 447 CG ASN A 27 37.025 -37.247 -4.444 1.00 5.30 C ATOM 448 OD1 ASN A 27 36.865 -36.043 -4.645 1.00 55.13 O ATOM 449 ND2 ASN A 27 37.001 -37.780 -3.228 1.00 12.20 N ATOM 0 H ASN A 27 36.453 -37.011 -7.965 1.00 32.25 H new ATOM 0 HA ASN A 27 38.912 -37.025 -6.313 1.00 43.35 H new ATOM 0 HB2 ASN A 27 36.307 -38.553 -5.979 1.00 64.31 H new ATOM 0 HB3 ASN A 27 37.802 -39.079 -5.232 1.00 64.31 H new ATOM 0 HD21 ASN A 27 36.845 -37.186 -2.414 1.00 12.20 H new ATOM 0 HD22 ASN A 27 37.138 -38.784 -3.108 1.00 12.20 H new ATOM 456 N PHE A 28 39.872 -38.937 -7.570 1.00 23.13 N ATOM 457 CA PHE A 28 40.495 -39.949 -8.414 1.00 64.34 C ATOM 458 C PHE A 28 40.074 -41.351 -7.984 1.00 72.33 C ATOM 459 O PHE A 28 40.066 -42.283 -8.789 1.00 24.14 O ATOM 460 CB PHE A 28 42.019 -39.823 -8.358 1.00 63.14 C ATOM 461 CG PHE A 28 42.563 -38.729 -9.232 1.00 74.14 C ATOM 462 CD1 PHE A 28 42.254 -37.403 -8.977 1.00 43.31 C ATOM 463 CD2 PHE A 28 43.381 -39.027 -10.310 1.00 24.32 C ATOM 464 CE1 PHE A 28 42.753 -36.393 -9.779 1.00 70.42 C ATOM 465 CE2 PHE A 28 43.883 -38.022 -11.115 1.00 23.40 C ATOM 466 CZ PHE A 28 43.568 -36.704 -10.850 1.00 53.02 C ATOM 0 H PHE A 28 40.506 -38.494 -6.905 1.00 23.13 H new ATOM 0 HA PHE A 28 40.161 -39.787 -9.439 1.00 64.34 H new ATOM 0 HB2 PHE A 28 42.323 -39.639 -7.328 1.00 63.14 H new ATOM 0 HB3 PHE A 28 42.465 -40.772 -8.657 1.00 63.14 H new ATOM 0 HD1 PHE A 28 41.616 -37.155 -8.142 1.00 43.31 H new ATOM 0 HD2 PHE A 28 43.629 -40.056 -10.524 1.00 24.32 H new ATOM 0 HE1 PHE A 28 42.506 -35.363 -9.568 1.00 70.42 H new ATOM 0 HE2 PHE A 28 44.521 -38.267 -11.951 1.00 23.40 H new ATOM 0 HZ PHE A 28 43.958 -35.918 -11.479 1.00 53.02 H new ATOM 476 N SER A 29 39.724 -41.493 -6.710 1.00 10.42 N ATOM 477 CA SER A 29 39.305 -42.781 -6.170 1.00 63.14 C ATOM 478 C SER A 29 37.839 -43.054 -6.492 1.00 62.33 C ATOM 479 O SER A 29 37.353 -44.171 -6.317 1.00 54.03 O ATOM 480 CB SER A 29 39.522 -42.819 -4.656 1.00 44.14 C ATOM 481 OG SER A 29 38.657 -41.913 -3.994 1.00 50.13 O ATOM 0 H SER A 29 39.722 -40.731 -6.032 1.00 10.42 H new ATOM 0 HA SER A 29 39.912 -43.557 -6.636 1.00 63.14 H new ATOM 0 HB2 SER A 29 39.348 -43.829 -4.286 1.00 44.14 H new ATOM 0 HB3 SER A 29 40.558 -42.570 -4.428 1.00 44.14 H new ATOM 0 HG SER A 29 38.814 -41.958 -3.028 1.00 50.13 H new ATOM 487 N GLN A 30 37.142 -42.026 -6.963 1.00 52.45 N ATOM 488 CA GLN A 30 35.731 -42.154 -7.309 1.00 61.13 C ATOM 489 C GLN A 30 35.514 -43.299 -8.294 1.00 11.44 C ATOM 490 O GLN A 30 34.438 -43.896 -8.338 1.00 51.44 O ATOM 491 CB GLN A 30 35.210 -40.846 -7.907 1.00 15.04 C ATOM 492 CG GLN A 30 33.699 -40.813 -8.073 1.00 12.22 C ATOM 493 CD GLN A 30 33.247 -41.356 -9.414 1.00 62.01 C ATOM 494 OE1 GLN A 30 32.523 -42.350 -9.483 1.00 3.34 O ATOM 495 NE2 GLN A 30 33.673 -40.705 -10.490 1.00 61.34 N ATOM 0 H GLN A 30 37.531 -41.095 -7.114 1.00 52.45 H new ATOM 0 HA GLN A 30 35.177 -42.374 -6.396 1.00 61.13 H new ATOM 0 HB2 GLN A 30 35.515 -40.017 -7.268 1.00 15.04 H new ATOM 0 HB3 GLN A 30 35.678 -40.689 -8.879 1.00 15.04 H new ATOM 0 HG2 GLN A 30 33.237 -41.395 -7.275 1.00 12.22 H new ATOM 0 HG3 GLN A 30 33.348 -39.787 -7.964 1.00 12.22 H new ATOM 0 HE21 GLN A 30 34.272 -39.886 -10.387 1.00 61.34 H new ATOM 0 HE22 GLN A 30 33.401 -41.024 -11.420 1.00 61.34 H new ATOM 504 N ILE A 31 36.542 -43.599 -9.080 1.00 53.45 N ATOM 505 CA ILE A 31 36.463 -44.672 -10.063 1.00 73.04 C ATOM 506 C ILE A 31 36.433 -46.037 -9.385 1.00 70.41 C ATOM 507 O ILE A 31 35.840 -46.986 -9.900 1.00 70.24 O ATOM 508 CB ILE A 31 37.648 -44.625 -11.045 1.00 44.32 C ATOM 509 CG1 ILE A 31 38.954 -44.956 -10.319 1.00 13.42 C ATOM 510 CG2 ILE A 31 37.735 -43.257 -11.705 1.00 42.32 C ATOM 511 CD1 ILE A 31 40.169 -44.933 -11.219 1.00 51.43 C ATOM 0 H ILE A 31 37.439 -43.114 -9.055 1.00 53.45 H new ATOM 0 HA ILE A 31 35.537 -44.524 -10.618 1.00 73.04 H new ATOM 0 HB ILE A 31 37.487 -45.372 -11.822 1.00 44.32 H new ATOM 0 HG12 ILE A 31 39.100 -44.243 -9.507 1.00 13.42 H new ATOM 0 HG13 ILE A 31 38.867 -45.943 -9.865 1.00 13.42 H new ATOM 0 HG21 ILE A 31 38.578 -43.239 -12.396 1.00 42.32 H new ATOM 0 HG22 ILE A 31 36.813 -43.057 -12.251 1.00 42.32 H new ATOM 0 HG23 ILE A 31 37.877 -42.493 -10.941 1.00 42.32 H new ATOM 0 HD11 ILE A 31 41.058 -45.177 -10.637 1.00 51.43 H new ATOM 0 HD12 ILE A 31 40.045 -45.666 -12.016 1.00 51.43 H new ATOM 0 HD13 ILE A 31 40.281 -43.940 -11.654 1.00 51.43 H new ATOM 523 N LEU A 32 37.075 -46.130 -8.226 1.00 11.12 N ATOM 524 CA LEU A 32 37.121 -47.379 -7.474 1.00 71.43 C ATOM 525 C LEU A 32 36.991 -47.119 -5.977 1.00 34.41 C ATOM 526 O LEU A 32 37.955 -47.219 -5.218 1.00 62.33 O ATOM 527 CB LEU A 32 38.426 -48.123 -7.763 1.00 22.13 C ATOM 528 CG LEU A 32 38.425 -49.622 -7.462 1.00 70.42 C ATOM 529 CD1 LEU A 32 37.751 -50.392 -8.588 1.00 5.22 C ATOM 530 CD2 LEU A 32 39.845 -50.124 -7.246 1.00 23.11 C ATOM 0 H LEU A 32 37.571 -45.355 -7.786 1.00 11.12 H new ATOM 0 HA LEU A 32 36.280 -47.996 -7.791 1.00 71.43 H new ATOM 0 HB2 LEU A 32 38.675 -47.984 -8.815 1.00 22.13 H new ATOM 0 HB3 LEU A 32 39.223 -47.657 -7.183 1.00 22.13 H new ATOM 0 HG LEU A 32 37.859 -49.789 -6.545 1.00 70.42 H new ATOM 0 HD11 LEU A 32 37.760 -51.457 -8.356 1.00 5.22 H new ATOM 0 HD12 LEU A 32 36.721 -50.052 -8.695 1.00 5.22 H new ATOM 0 HD13 LEU A 32 38.289 -50.219 -9.520 1.00 5.22 H new ATOM 0 HD21 LEU A 32 39.825 -51.193 -7.033 1.00 23.11 H new ATOM 0 HD22 LEU A 32 40.435 -49.944 -8.145 1.00 23.11 H new ATOM 0 HD23 LEU A 32 40.294 -49.595 -6.405 1.00 23.11 H new ATOM 542 N PRO A 33 35.769 -46.780 -5.539 1.00 42.41 N ATOM 543 CA PRO A 33 35.483 -46.501 -4.129 1.00 31.23 C ATOM 544 C PRO A 33 35.551 -47.756 -3.265 1.00 13.23 C ATOM 545 O PRO A 33 36.586 -48.057 -2.671 1.00 0.22 O ATOM 546 CB PRO A 33 34.055 -45.949 -4.159 1.00 25.12 C ATOM 547 CG PRO A 33 33.452 -46.527 -5.392 1.00 51.32 C ATOM 548 CD PRO A 33 34.573 -46.642 -6.387 1.00 44.33 C ATOM 0 HA PRO A 33 36.210 -45.816 -3.693 1.00 31.23 H new ATOM 0 HB2 PRO A 33 33.498 -46.244 -3.270 1.00 25.12 H new ATOM 0 HB3 PRO A 33 34.052 -44.859 -4.190 1.00 25.12 H new ATOM 0 HG2 PRO A 33 33.009 -47.502 -5.189 1.00 51.32 H new ATOM 0 HG3 PRO A 33 32.656 -45.888 -5.773 1.00 51.32 H new ATOM 0 HD2 PRO A 33 34.443 -47.504 -7.041 1.00 44.33 H new ATOM 0 HD3 PRO A 33 34.634 -45.762 -7.027 1.00 44.33 H new ATOM 556 N SER A 34 34.441 -48.485 -3.200 1.00 10.45 N ATOM 557 CA SER A 34 34.374 -49.706 -2.405 1.00 51.41 C ATOM 558 C SER A 34 33.093 -50.479 -2.704 1.00 40.42 C ATOM 559 O SER A 34 32.162 -50.523 -1.900 1.00 22.25 O ATOM 560 CB SER A 34 34.446 -49.373 -0.913 1.00 70.24 C ATOM 561 OG SER A 34 34.656 -50.542 -0.140 1.00 43.02 O ATOM 0 H SER A 34 33.576 -48.251 -3.688 1.00 10.45 H new ATOM 0 HA SER A 34 35.226 -50.331 -2.672 1.00 51.41 H new ATOM 0 HB2 SER A 34 35.255 -48.664 -0.734 1.00 70.24 H new ATOM 0 HB3 SER A 34 33.522 -48.887 -0.600 1.00 70.24 H new ATOM 0 HG SER A 34 34.700 -50.303 0.809 1.00 43.02 H new ATOM 567 N PRO A 35 33.043 -51.103 -3.890 1.00 40.13 N ATOM 568 CA PRO A 35 31.882 -51.886 -4.324 1.00 65.32 C ATOM 569 C PRO A 35 31.724 -53.177 -3.528 1.00 13.12 C ATOM 570 O PRO A 35 32.707 -53.849 -3.212 1.00 52.23 O ATOM 571 CB PRO A 35 32.193 -52.197 -5.790 1.00 72.55 C ATOM 572 CG PRO A 35 33.679 -52.142 -5.883 1.00 54.44 C ATOM 573 CD PRO A 35 34.116 -51.093 -4.899 1.00 11.51 C ATOM 0 HA PRO A 35 30.947 -51.345 -4.177 1.00 65.32 H new ATOM 0 HB2 PRO A 35 31.815 -53.179 -6.075 1.00 72.55 H new ATOM 0 HB3 PRO A 35 31.728 -51.470 -6.456 1.00 72.55 H new ATOM 0 HG2 PRO A 35 34.121 -53.109 -5.644 1.00 54.44 H new ATOM 0 HG3 PRO A 35 33.998 -51.886 -6.894 1.00 54.44 H new ATOM 0 HD2 PRO A 35 35.084 -51.333 -4.459 1.00 11.51 H new ATOM 0 HD3 PRO A 35 34.215 -50.115 -5.371 1.00 11.51 H new ATOM 581 N LEU A 36 30.481 -53.519 -3.206 1.00 1.33 N ATOM 582 CA LEU A 36 30.193 -54.730 -2.446 1.00 24.41 C ATOM 583 C LEU A 36 28.773 -55.216 -2.714 1.00 34.45 C ATOM 584 O LEU A 36 27.848 -54.416 -2.860 1.00 62.52 O ATOM 585 CB LEU A 36 30.384 -54.475 -0.950 1.00 20.22 C ATOM 586 CG LEU A 36 30.872 -55.665 -0.123 1.00 5.02 C ATOM 587 CD1 LEU A 36 31.647 -55.186 1.095 1.00 32.34 C ATOM 588 CD2 LEU A 36 29.700 -56.539 0.298 1.00 62.32 C ATOM 0 H LEU A 36 29.657 -52.974 -3.460 1.00 1.33 H new ATOM 0 HA LEU A 36 30.889 -55.505 -2.767 1.00 24.41 H new ATOM 0 HB2 LEU A 36 31.095 -53.658 -0.829 1.00 20.22 H new ATOM 0 HB3 LEU A 36 29.435 -54.135 -0.536 1.00 20.22 H new ATOM 0 HG LEU A 36 31.541 -56.263 -0.742 1.00 5.02 H new ATOM 0 HD11 LEU A 36 31.987 -56.046 1.672 1.00 32.34 H new ATOM 0 HD12 LEU A 36 32.509 -54.603 0.771 1.00 32.34 H new ATOM 0 HD13 LEU A 36 31.001 -54.565 1.716 1.00 32.34 H new ATOM 0 HD21 LEU A 36 30.066 -57.381 0.886 1.00 62.32 H new ATOM 0 HD22 LEU A 36 29.006 -55.952 0.899 1.00 62.32 H new ATOM 0 HD23 LEU A 36 29.187 -56.911 -0.589 1.00 62.32 H new ATOM 600 N LYS A 37 28.605 -56.533 -2.774 1.00 33.12 N ATOM 601 CA LYS A 37 27.296 -57.128 -3.020 1.00 3.41 C ATOM 602 C LYS A 37 27.159 -58.461 -2.291 1.00 53.34 C ATOM 603 O LYS A 37 28.145 -59.115 -1.952 1.00 0.41 O ATOM 604 CB LYS A 37 27.080 -57.330 -4.521 1.00 75.13 C ATOM 605 CG LYS A 37 28.305 -57.856 -5.247 1.00 65.43 C ATOM 606 CD LYS A 37 28.013 -58.122 -6.715 1.00 4.23 C ATOM 607 CE LYS A 37 29.279 -58.058 -7.555 1.00 64.43 C ATOM 608 NZ LYS A 37 29.715 -56.655 -7.798 1.00 35.03 N ATOM 0 H LYS A 37 29.359 -57.209 -2.656 1.00 33.12 H new ATOM 0 HA LYS A 37 26.536 -56.446 -2.638 1.00 3.41 H new ATOM 0 HB2 LYS A 37 26.254 -58.025 -4.670 1.00 75.13 H new ATOM 0 HB3 LYS A 37 26.783 -56.381 -4.968 1.00 75.13 H new ATOM 0 HG2 LYS A 37 29.117 -57.134 -5.162 1.00 65.43 H new ATOM 0 HG3 LYS A 37 28.644 -58.776 -4.770 1.00 65.43 H new ATOM 0 HD2 LYS A 37 27.552 -59.104 -6.823 1.00 4.23 H new ATOM 0 HD3 LYS A 37 27.294 -57.390 -7.083 1.00 4.23 H new ATOM 0 HE2 LYS A 37 30.077 -58.604 -7.051 1.00 64.43 H new ATOM 0 HE3 LYS A 37 29.107 -58.555 -8.510 1.00 64.43 H new ATOM 0 HZ1 LYS A 37 30.520 -56.651 -8.457 1.00 35.03 H new ATOM 0 HZ2 LYS A 37 28.928 -56.113 -8.209 1.00 35.03 H new ATOM 0 HZ3 LYS A 37 30.002 -56.220 -6.898 1.00 35.03 H new ATOM 622 N PRO A 38 25.907 -58.875 -2.046 1.00 30.41 N ATOM 623 CA PRO A 38 25.611 -60.135 -1.357 1.00 62.22 C ATOM 624 C PRO A 38 25.953 -61.354 -2.207 1.00 22.43 C ATOM 625 O PRO A 38 25.741 -61.359 -3.420 1.00 0.22 O ATOM 626 CB PRO A 38 24.102 -60.060 -1.113 1.00 0.03 C ATOM 627 CG PRO A 38 23.591 -59.150 -2.175 1.00 41.54 C ATOM 628 CD PRO A 38 24.684 -58.147 -2.422 1.00 50.32 C ATOM 0 HA PRO A 38 26.199 -60.249 -0.446 1.00 62.22 H new ATOM 0 HB2 PRO A 38 23.641 -61.045 -1.180 1.00 0.03 H new ATOM 0 HB3 PRO A 38 23.881 -59.672 -0.119 1.00 0.03 H new ATOM 0 HG2 PRO A 38 23.357 -59.704 -3.084 1.00 41.54 H new ATOM 0 HG3 PRO A 38 22.673 -58.656 -1.857 1.00 41.54 H new ATOM 0 HD2 PRO A 38 24.710 -57.830 -3.464 1.00 50.32 H new ATOM 0 HD3 PRO A 38 24.549 -57.249 -1.819 1.00 50.32 H new ATOM 636 N THR A 39 26.484 -62.389 -1.562 1.00 74.33 N ATOM 637 CA THR A 39 26.856 -63.614 -2.259 1.00 35.33 C ATOM 638 C THR A 39 25.655 -64.540 -2.423 1.00 2.52 C ATOM 639 O THR A 39 25.614 -65.365 -3.336 1.00 1.42 O ATOM 640 CB THR A 39 27.972 -64.368 -1.512 1.00 61.10 C ATOM 641 OG1 THR A 39 28.252 -65.608 -2.172 1.00 45.40 O ATOM 642 CG2 THR A 39 27.573 -64.635 -0.069 1.00 20.34 C ATOM 0 H THR A 39 26.666 -62.403 -0.558 1.00 74.33 H new ATOM 0 HA THR A 39 27.222 -63.319 -3.243 1.00 35.33 H new ATOM 0 HB THR A 39 28.866 -63.745 -1.515 1.00 61.10 H new ATOM 0 HG1 THR A 39 28.964 -66.081 -1.692 1.00 45.40 H new ATOM 0 HG21 THR A 39 28.377 -65.168 0.438 1.00 20.34 H new ATOM 0 HG22 THR A 39 27.389 -63.688 0.439 1.00 20.34 H new ATOM 0 HG23 THR A 39 26.667 -65.240 -0.048 1.00 20.34 H new ATOM 650 N LYS A 40 24.678 -64.397 -1.533 1.00 64.15 N ATOM 651 CA LYS A 40 23.475 -65.219 -1.580 1.00 53.32 C ATOM 652 C LYS A 40 22.816 -65.141 -2.954 1.00 20.22 C ATOM 653 O LYS A 40 22.191 -66.100 -3.408 1.00 4.01 O ATOM 654 CB LYS A 40 22.485 -64.771 -0.502 1.00 71.22 C ATOM 655 CG LYS A 40 23.066 -64.786 0.901 1.00 31.21 C ATOM 656 CD LYS A 40 23.555 -66.172 1.287 1.00 33.15 C ATOM 657 CE LYS A 40 24.064 -66.204 2.720 1.00 20.13 C ATOM 658 NZ LYS A 40 22.964 -66.010 3.705 1.00 75.14 N ATOM 0 H LYS A 40 24.696 -63.719 -0.771 1.00 64.15 H new ATOM 0 HA LYS A 40 23.764 -66.253 -1.393 1.00 53.32 H new ATOM 0 HB2 LYS A 40 22.141 -63.763 -0.733 1.00 71.22 H new ATOM 0 HB3 LYS A 40 21.610 -65.421 -0.531 1.00 71.22 H new ATOM 0 HG2 LYS A 40 23.892 -64.078 0.961 1.00 31.21 H new ATOM 0 HG3 LYS A 40 22.310 -64.455 1.613 1.00 31.21 H new ATOM 0 HD2 LYS A 40 22.743 -66.891 1.172 1.00 33.15 H new ATOM 0 HD3 LYS A 40 24.352 -66.480 0.610 1.00 33.15 H new ATOM 0 HE2 LYS A 40 24.556 -67.158 2.909 1.00 20.13 H new ATOM 0 HE3 LYS A 40 24.815 -65.425 2.856 1.00 20.13 H new ATOM 0 HZ1 LYS A 40 23.303 -66.255 4.657 1.00 75.14 H new ATOM 0 HZ2 LYS A 40 22.657 -65.016 3.691 1.00 75.14 H new ATOM 0 HZ3 LYS A 40 22.162 -66.623 3.455 1.00 75.14 H new ATOM 672 N ARG A 41 22.961 -63.995 -3.611 1.00 20.13 N ATOM 673 CA ARG A 41 22.380 -63.793 -4.933 1.00 22.43 C ATOM 674 C ARG A 41 23.186 -64.530 -5.999 1.00 20.03 C ATOM 675 O ARG A 41 22.642 -64.959 -7.016 1.00 61.02 O ATOM 676 CB ARG A 41 22.320 -62.301 -5.264 1.00 74.23 C ATOM 677 CG ARG A 41 21.212 -61.939 -6.240 1.00 41.31 C ATOM 678 CD ARG A 41 20.627 -60.569 -5.934 1.00 53.15 C ATOM 679 NE ARG A 41 21.464 -59.489 -6.449 1.00 40.41 N ATOM 680 CZ ARG A 41 21.548 -59.174 -7.737 1.00 10.42 C ATOM 681 NH1 ARG A 41 20.849 -59.853 -8.636 1.00 11.42 N ATOM 682 NH2 ARG A 41 22.332 -58.177 -8.128 1.00 22.04 N ATOM 0 H ARG A 41 23.476 -63.192 -3.249 1.00 20.13 H new ATOM 0 HA ARG A 41 21.368 -64.197 -4.924 1.00 22.43 H new ATOM 0 HB2 ARG A 41 22.179 -61.738 -4.341 1.00 74.23 H new ATOM 0 HB3 ARG A 41 23.277 -61.991 -5.683 1.00 74.23 H new ATOM 0 HG2 ARG A 41 21.603 -61.950 -7.257 1.00 41.31 H new ATOM 0 HG3 ARG A 41 20.424 -62.691 -6.194 1.00 41.31 H new ATOM 0 HD2 ARG A 41 19.631 -60.495 -6.370 1.00 53.15 H new ATOM 0 HD3 ARG A 41 20.513 -60.456 -4.856 1.00 53.15 H new ATOM 0 HE ARG A 41 22.014 -58.947 -5.783 1.00 40.41 H new ATOM 0 HH11 ARG A 41 20.245 -60.619 -8.339 1.00 11.42 H new ATOM 0 HH12 ARG A 41 20.915 -59.609 -9.624 1.00 11.42 H new ATOM 0 HH21 ARG A 41 22.871 -57.652 -7.439 1.00 22.04 H new ATOM 0 HH22 ARG A 41 22.396 -57.936 -9.117 1.00 22.04 H new ATOM 696 N SER A 42 24.485 -64.672 -5.758 1.00 25.21 N ATOM 697 CA SER A 42 25.367 -65.353 -6.699 1.00 3.11 C ATOM 698 C SER A 42 24.953 -66.811 -6.875 1.00 12.42 C ATOM 699 O SER A 42 25.229 -67.427 -7.904 1.00 51.34 O ATOM 700 CB SER A 42 26.817 -65.278 -6.217 1.00 44.33 C ATOM 701 OG SER A 42 27.722 -65.493 -7.287 1.00 32.32 O ATOM 0 H SER A 42 24.950 -64.325 -4.919 1.00 25.21 H new ATOM 0 HA SER A 42 25.285 -64.851 -7.663 1.00 3.11 H new ATOM 0 HB2 SER A 42 27.004 -64.302 -5.768 1.00 44.33 H new ATOM 0 HB3 SER A 42 26.984 -66.024 -5.440 1.00 44.33 H new ATOM 0 HG SER A 42 27.607 -66.402 -7.635 1.00 32.32 H new ATOM 707 N PHE A 43 24.288 -67.356 -5.862 1.00 30.41 N ATOM 708 CA PHE A 43 23.835 -68.742 -5.903 1.00 24.04 C ATOM 709 C PHE A 43 23.037 -69.016 -7.174 1.00 32.34 C ATOM 710 O PHE A 43 23.024 -70.138 -7.681 1.00 33.10 O ATOM 711 CB PHE A 43 22.982 -69.059 -4.672 1.00 43.55 C ATOM 712 CG PHE A 43 23.789 -69.449 -3.468 1.00 24.15 C ATOM 713 CD1 PHE A 43 23.593 -70.676 -2.854 1.00 4.43 C ATOM 714 CD2 PHE A 43 24.744 -68.589 -2.948 1.00 71.23 C ATOM 715 CE1 PHE A 43 24.335 -71.038 -1.745 1.00 33.31 C ATOM 716 CE2 PHE A 43 25.488 -68.947 -1.840 1.00 44.41 C ATOM 717 CZ PHE A 43 25.283 -70.172 -1.237 1.00 32.01 C ATOM 0 H PHE A 43 24.051 -66.860 -5.003 1.00 30.41 H new ATOM 0 HA PHE A 43 24.715 -69.386 -5.902 1.00 24.04 H new ATOM 0 HB2 PHE A 43 22.375 -68.187 -4.426 1.00 43.55 H new ATOM 0 HB3 PHE A 43 22.293 -69.868 -4.916 1.00 43.55 H new ATOM 0 HD1 PHE A 43 22.852 -71.357 -3.246 1.00 4.43 H new ATOM 0 HD2 PHE A 43 24.908 -67.629 -3.414 1.00 71.23 H new ATOM 0 HE1 PHE A 43 24.173 -71.997 -1.276 1.00 33.31 H new ATOM 0 HE2 PHE A 43 26.230 -68.268 -1.446 1.00 44.41 H new ATOM 0 HZ PHE A 43 25.863 -70.452 -0.370 1.00 32.01 H new ATOM 727 N ILE A 44 22.372 -67.984 -7.682 1.00 30.14 N ATOM 728 CA ILE A 44 21.572 -68.113 -8.893 1.00 35.12 C ATOM 729 C ILE A 44 22.379 -68.746 -10.021 1.00 4.31 C ATOM 730 O ILE A 44 21.829 -69.429 -10.884 1.00 12.24 O ATOM 731 CB ILE A 44 21.037 -66.747 -9.363 1.00 23.13 C ATOM 732 CG1 ILE A 44 20.013 -66.934 -10.484 1.00 44.13 C ATOM 733 CG2 ILE A 44 22.184 -65.861 -9.827 1.00 33.22 C ATOM 734 CD1 ILE A 44 19.121 -65.731 -10.694 1.00 51.22 C ATOM 0 H ILE A 44 22.372 -67.049 -7.274 1.00 30.14 H new ATOM 0 HA ILE A 44 20.729 -68.759 -8.646 1.00 35.12 H new ATOM 0 HB ILE A 44 20.542 -66.258 -8.524 1.00 23.13 H new ATOM 0 HG12 ILE A 44 20.539 -67.153 -11.413 1.00 44.13 H new ATOM 0 HG13 ILE A 44 19.393 -67.801 -10.258 1.00 44.13 H new ATOM 0 HG21 ILE A 44 21.791 -64.899 -10.156 1.00 33.22 H new ATOM 0 HG22 ILE A 44 22.880 -65.705 -9.003 1.00 33.22 H new ATOM 0 HG23 ILE A 44 22.704 -66.343 -10.655 1.00 33.22 H new ATOM 0 HD11 ILE A 44 18.420 -65.935 -11.504 1.00 51.22 H new ATOM 0 HD12 ILE A 44 18.567 -65.524 -9.778 1.00 51.22 H new ATOM 0 HD13 ILE A 44 19.732 -64.866 -10.952 1.00 51.22 H new ATOM 746 N GLU A 45 23.688 -68.514 -10.006 1.00 24.42 N ATOM 747 CA GLU A 45 24.572 -69.063 -11.028 1.00 22.13 C ATOM 748 C GLU A 45 24.386 -70.572 -11.155 1.00 34.30 C ATOM 749 O GLU A 45 24.568 -71.143 -12.231 1.00 1.53 O ATOM 750 CB GLU A 45 26.032 -68.745 -10.696 1.00 15.22 C ATOM 751 CG GLU A 45 26.586 -69.564 -9.543 1.00 22.13 C ATOM 752 CD GLU A 45 27.943 -69.072 -9.077 1.00 14.24 C ATOM 753 OE1 GLU A 45 28.812 -69.919 -8.783 1.00 33.32 O ATOM 754 OE2 GLU A 45 28.135 -67.840 -9.005 1.00 60.24 O ATOM 0 H GLU A 45 24.159 -67.950 -9.298 1.00 24.42 H new ATOM 0 HA GLU A 45 24.314 -68.601 -11.981 1.00 22.13 H new ATOM 0 HB2 GLU A 45 26.643 -68.920 -11.581 1.00 15.22 H new ATOM 0 HB3 GLU A 45 26.118 -67.686 -10.453 1.00 15.22 H new ATOM 0 HG2 GLU A 45 25.885 -69.530 -8.709 1.00 22.13 H new ATOM 0 HG3 GLU A 45 26.667 -70.607 -9.849 1.00 22.13 H new ATOM 761 N ASP A 46 24.022 -71.213 -10.049 1.00 53.45 N ATOM 762 CA ASP A 46 23.810 -72.655 -10.036 1.00 73.42 C ATOM 763 C ASP A 46 22.772 -73.062 -11.078 1.00 13.34 C ATOM 764 O ASP A 46 22.781 -74.190 -11.571 1.00 73.23 O ATOM 765 CB ASP A 46 23.363 -73.114 -8.647 1.00 42.01 C ATOM 766 CG ASP A 46 24.525 -73.255 -7.683 1.00 14.22 C ATOM 767 OD1 ASP A 46 24.420 -74.071 -6.743 1.00 65.22 O ATOM 768 OD2 ASP A 46 25.538 -72.549 -7.868 1.00 70.43 O ATOM 0 H ASP A 46 23.868 -70.756 -9.150 1.00 53.45 H new ATOM 0 HA ASP A 46 24.755 -73.138 -10.283 1.00 73.42 H new ATOM 0 HB2 ASP A 46 22.645 -72.399 -8.245 1.00 42.01 H new ATOM 0 HB3 ASP A 46 22.847 -74.070 -8.732 1.00 42.01 H new ATOM 773 N LEU A 47 21.878 -72.136 -11.407 1.00 14.04 N ATOM 774 CA LEU A 47 20.831 -72.398 -12.389 1.00 44.31 C ATOM 775 C LEU A 47 21.434 -72.727 -13.751 1.00 53.23 C ATOM 776 O LEU A 47 20.770 -73.306 -14.612 1.00 32.41 O ATOM 777 CB LEU A 47 19.902 -71.188 -12.508 1.00 63.33 C ATOM 778 CG LEU A 47 18.575 -71.430 -13.228 1.00 31.13 C ATOM 779 CD1 LEU A 47 17.562 -72.059 -12.283 1.00 5.21 C ATOM 780 CD2 LEU A 47 18.035 -70.128 -13.802 1.00 33.52 C ATOM 0 H LEU A 47 21.857 -71.197 -11.008 1.00 14.04 H new ATOM 0 HA LEU A 47 20.254 -73.258 -12.050 1.00 44.31 H new ATOM 0 HB2 LEU A 47 19.686 -70.820 -11.505 1.00 63.33 H new ATOM 0 HB3 LEU A 47 20.437 -70.395 -13.030 1.00 63.33 H new ATOM 0 HG LEU A 47 18.751 -72.122 -14.052 1.00 31.13 H new ATOM 0 HD11 LEU A 47 16.624 -72.224 -12.813 1.00 5.21 H new ATOM 0 HD12 LEU A 47 17.946 -73.012 -11.920 1.00 5.21 H new ATOM 0 HD13 LEU A 47 17.389 -71.392 -11.438 1.00 5.21 H new ATOM 0 HD21 LEU A 47 17.090 -70.319 -14.311 1.00 33.52 H new ATOM 0 HD22 LEU A 47 17.874 -69.413 -12.995 1.00 33.52 H new ATOM 0 HD23 LEU A 47 18.753 -69.718 -14.512 1.00 33.52 H new ATOM 792 N LEU A 48 22.695 -72.356 -13.940 1.00 1.51 N ATOM 793 CA LEU A 48 23.389 -72.613 -15.197 1.00 73.21 C ATOM 794 C LEU A 48 23.541 -74.112 -15.438 1.00 13.31 C ATOM 795 O LEU A 48 23.824 -74.546 -16.554 1.00 65.15 O ATOM 796 CB LEU A 48 24.764 -71.944 -15.190 1.00 23.22 C ATOM 797 CG LEU A 48 24.767 -70.417 -15.122 1.00 4.32 C ATOM 798 CD1 LEU A 48 26.124 -69.906 -14.663 1.00 2.52 C ATOM 799 CD2 LEU A 48 24.401 -69.822 -16.474 1.00 12.24 C ATOM 0 H LEU A 48 23.258 -71.876 -13.238 1.00 1.51 H new ATOM 0 HA LEU A 48 22.792 -72.192 -16.006 1.00 73.21 H new ATOM 0 HB2 LEU A 48 25.328 -72.327 -14.339 1.00 23.22 H new ATOM 0 HB3 LEU A 48 25.299 -72.249 -16.090 1.00 23.22 H new ATOM 0 HG LEU A 48 24.018 -70.103 -14.395 1.00 4.32 H new ATOM 0 HD11 LEU A 48 26.107 -68.817 -14.621 1.00 2.52 H new ATOM 0 HD12 LEU A 48 26.347 -70.304 -13.673 1.00 2.52 H new ATOM 0 HD13 LEU A 48 26.892 -70.230 -15.366 1.00 2.52 H new ATOM 0 HD21 LEU A 48 24.408 -68.734 -16.407 1.00 12.24 H new ATOM 0 HD22 LEU A 48 25.126 -70.144 -17.222 1.00 12.24 H new ATOM 0 HD23 LEU A 48 23.406 -70.161 -16.763 1.00 12.24 H new ATOM 811 N PHE A 49 23.348 -74.898 -14.384 1.00 12.31 N ATOM 812 CA PHE A 49 23.462 -76.348 -14.481 1.00 22.32 C ATOM 813 C PHE A 49 22.499 -76.901 -15.527 1.00 72.11 C ATOM 814 O PHE A 49 22.706 -77.988 -16.064 1.00 64.04 O ATOM 815 CB PHE A 49 23.183 -76.995 -13.122 1.00 45.14 C ATOM 816 CG PHE A 49 21.721 -77.172 -12.832 1.00 34.14 C ATOM 817 CD1 PHE A 49 21.200 -78.429 -12.568 1.00 42.14 C ATOM 818 CD2 PHE A 49 20.866 -76.082 -12.822 1.00 54.31 C ATOM 819 CE1 PHE A 49 19.855 -78.595 -12.300 1.00 75.51 C ATOM 820 CE2 PHE A 49 19.519 -76.242 -12.554 1.00 63.01 C ATOM 821 CZ PHE A 49 19.013 -77.501 -12.294 1.00 51.50 C ATOM 0 H PHE A 49 23.112 -74.555 -13.453 1.00 12.31 H new ATOM 0 HA PHE A 49 24.480 -76.587 -14.788 1.00 22.32 H new ATOM 0 HB2 PHE A 49 23.673 -77.968 -13.084 1.00 45.14 H new ATOM 0 HB3 PHE A 49 23.629 -76.383 -12.338 1.00 45.14 H new ATOM 0 HD1 PHE A 49 21.853 -79.289 -12.572 1.00 42.14 H new ATOM 0 HD2 PHE A 49 21.256 -75.096 -13.026 1.00 54.31 H new ATOM 0 HE1 PHE A 49 19.462 -79.580 -12.095 1.00 75.51 H new ATOM 0 HE2 PHE A 49 18.863 -75.384 -12.548 1.00 63.01 H new ATOM 0 HZ PHE A 49 17.961 -77.629 -12.086 1.00 51.50 H new ATOM 831 N ASN A 50 21.444 -76.144 -15.810 1.00 51.21 N ATOM 832 CA ASN A 50 20.447 -76.558 -16.791 1.00 0.40 C ATOM 833 C ASN A 50 20.951 -76.321 -18.212 1.00 31.45 C ATOM 834 O ASN A 50 20.452 -76.918 -19.166 1.00 43.44 O ATOM 835 CB ASN A 50 19.137 -75.798 -16.569 1.00 63.35 C ATOM 836 CG ASN A 50 19.171 -74.402 -17.161 1.00 25.15 C ATOM 837 OD1 ASN A 50 20.196 -73.721 -17.113 1.00 13.30 O ATOM 838 ND2 ASN A 50 18.048 -73.970 -17.721 1.00 41.35 N ATOM 0 H ASN A 50 21.257 -75.241 -15.374 1.00 51.21 H new ATOM 0 HA ASN A 50 20.267 -77.625 -16.662 1.00 0.40 H new ATOM 0 HB2 ASN A 50 18.315 -76.359 -17.014 1.00 63.35 H new ATOM 0 HB3 ASN A 50 18.935 -75.732 -15.500 1.00 63.35 H new ATOM 0 HD21 ASN A 50 18.010 -73.039 -18.135 1.00 41.35 H new ATOM 0 HD22 ASN A 50 17.223 -74.569 -17.738 1.00 41.35 H new ATOM 845 N LYS A 51 21.943 -75.448 -18.344 1.00 1.32 N ATOM 846 CA LYS A 51 22.517 -75.133 -19.646 1.00 43.35 C ATOM 847 C LYS A 51 23.752 -75.986 -19.918 1.00 30.43 C ATOM 848 O LYS A 51 24.728 -75.516 -20.502 1.00 60.13 O ATOM 849 CB LYS A 51 22.884 -73.649 -19.720 1.00 1.32 C ATOM 850 CG LYS A 51 22.635 -73.027 -21.083 1.00 71.21 C ATOM 851 CD LYS A 51 21.359 -72.203 -21.095 1.00 53.31 C ATOM 852 CE LYS A 51 20.178 -73.011 -21.610 1.00 34.35 C ATOM 853 NZ LYS A 51 19.430 -73.668 -20.501 1.00 41.34 N ATOM 0 H LYS A 51 22.367 -74.945 -17.564 1.00 1.32 H new ATOM 0 HA LYS A 51 21.769 -75.355 -20.407 1.00 43.35 H new ATOM 0 HB2 LYS A 51 22.310 -73.104 -18.971 1.00 1.32 H new ATOM 0 HB3 LYS A 51 23.937 -73.531 -19.463 1.00 1.32 H new ATOM 0 HG2 LYS A 51 23.480 -72.395 -21.355 1.00 71.21 H new ATOM 0 HG3 LYS A 51 22.569 -73.812 -21.836 1.00 71.21 H new ATOM 0 HD2 LYS A 51 21.145 -71.847 -20.087 1.00 53.31 H new ATOM 0 HD3 LYS A 51 21.499 -71.322 -21.722 1.00 53.31 H new ATOM 0 HE2 LYS A 51 19.505 -72.357 -22.165 1.00 34.35 H new ATOM 0 HE3 LYS A 51 20.533 -73.769 -22.308 1.00 34.35 H new ATOM 0 HZ1 LYS A 51 18.948 -74.516 -20.862 1.00 41.34 H new ATOM 0 HZ2 LYS A 51 20.094 -73.941 -19.748 1.00 41.34 H new ATOM 0 HZ3 LYS A 51 18.725 -73.006 -20.118 1.00 41.34 H new ATOM 867 N VAL A 52 23.702 -77.244 -19.490 1.00 72.15 N ATOM 868 CA VAL A 52 24.815 -78.164 -19.690 1.00 21.23 C ATOM 869 C VAL A 52 25.258 -78.183 -21.148 1.00 71.34 C ATOM 870 O VAL A 52 24.431 -78.195 -22.061 1.00 14.14 O ATOM 871 CB VAL A 52 24.444 -79.596 -19.258 1.00 44.44 C ATOM 872 CG1 VAL A 52 24.343 -79.688 -17.744 1.00 4.35 C ATOM 873 CG2 VAL A 52 23.142 -80.029 -19.915 1.00 65.11 C ATOM 0 H VAL A 52 22.903 -77.649 -19.003 1.00 72.15 H new ATOM 0 HA VAL A 52 25.636 -77.806 -19.069 1.00 21.23 H new ATOM 0 HB VAL A 52 25.233 -80.272 -19.587 1.00 44.44 H new ATOM 0 HG11 VAL A 52 24.080 -80.706 -17.458 1.00 4.35 H new ATOM 0 HG12 VAL A 52 25.302 -79.422 -17.299 1.00 4.35 H new ATOM 0 HG13 VAL A 52 23.575 -79.002 -17.388 1.00 4.35 H new ATOM 0 HG21 VAL A 52 22.895 -81.043 -19.599 1.00 65.11 H new ATOM 0 HG22 VAL A 52 22.342 -79.351 -19.618 1.00 65.11 H new ATOM 0 HG23 VAL A 52 23.256 -80.004 -20.999 1.00 65.11 H new ATOM 883 N THR A 53 26.570 -78.187 -21.363 1.00 20.10 N ATOM 884 CA THR A 53 27.124 -78.204 -22.711 1.00 20.22 C ATOM 885 C THR A 53 27.253 -79.630 -23.234 1.00 60.12 C ATOM 886 O THR A 53 27.241 -79.862 -24.444 1.00 3.21 O ATOM 887 CB THR A 53 28.506 -77.525 -22.759 1.00 54.20 C ATOM 888 OG1 THR A 53 28.951 -77.416 -24.116 1.00 20.14 O ATOM 889 CG2 THR A 53 29.524 -78.311 -21.947 1.00 52.00 C ATOM 0 H THR A 53 27.269 -78.179 -20.620 1.00 20.10 H new ATOM 0 HA THR A 53 26.432 -77.649 -23.344 1.00 20.22 H new ATOM 0 HB THR A 53 28.412 -76.529 -22.327 1.00 54.20 H new ATOM 0 HG1 THR A 53 29.829 -76.982 -24.138 1.00 20.14 H new ATOM 0 HG21 THR A 53 30.492 -77.812 -21.996 1.00 52.00 H new ATOM 0 HG22 THR A 53 29.197 -78.367 -20.909 1.00 52.00 H new ATOM 0 HG23 THR A 53 29.614 -79.318 -22.353 1.00 52.00 H new ATOM 897 N LEU A 54 27.375 -80.583 -22.317 1.00 24.11 N ATOM 898 CA LEU A 54 27.506 -81.988 -22.686 1.00 72.32 C ATOM 899 C LEU A 54 26.280 -82.464 -23.460 1.00 23.02 C ATOM 900 O LEU A 54 26.379 -83.336 -24.322 1.00 75.42 O ATOM 901 CB LEU A 54 27.700 -82.849 -21.436 1.00 53.34 C ATOM 902 CG LEU A 54 28.335 -84.222 -21.659 1.00 11.34 C ATOM 903 CD1 LEU A 54 29.714 -84.077 -22.283 1.00 21.01 C ATOM 904 CD2 LEU A 54 28.419 -84.989 -20.347 1.00 50.01 C ATOM 0 H LEU A 54 27.386 -80.408 -21.312 1.00 24.11 H new ATOM 0 HA LEU A 54 28.381 -82.089 -23.328 1.00 72.32 H new ATOM 0 HB2 LEU A 54 28.319 -82.295 -20.730 1.00 53.34 H new ATOM 0 HB3 LEU A 54 26.728 -82.993 -20.964 1.00 53.34 H new ATOM 0 HG LEU A 54 27.705 -84.786 -22.347 1.00 11.34 H new ATOM 0 HD11 LEU A 54 30.151 -85.064 -22.434 1.00 21.01 H new ATOM 0 HD12 LEU A 54 29.627 -83.568 -23.243 1.00 21.01 H new ATOM 0 HD13 LEU A 54 30.354 -83.495 -21.620 1.00 21.01 H new ATOM 0 HD21 LEU A 54 28.873 -85.964 -20.524 1.00 50.01 H new ATOM 0 HD22 LEU A 54 29.027 -84.429 -19.636 1.00 50.01 H new ATOM 0 HD23 LEU A 54 27.417 -85.124 -19.940 1.00 50.01 H new ATOM 916 N ALA A 55 25.127 -81.883 -23.146 1.00 72.04 N ATOM 917 CA ALA A 55 23.883 -82.244 -23.815 1.00 30.41 C ATOM 918 C ALA A 55 23.842 -81.691 -25.235 1.00 64.34 C ATOM 919 O ALA A 55 23.165 -82.238 -26.106 1.00 34.24 O ATOM 920 CB ALA A 55 22.689 -81.742 -23.016 1.00 43.24 C ATOM 0 H ALA A 55 25.028 -81.161 -22.433 1.00 72.04 H new ATOM 0 HA ALA A 55 23.835 -83.331 -23.876 1.00 30.41 H new ATOM 0 HB1 ALA A 55 21.767 -82.019 -23.527 1.00 43.24 H new ATOM 0 HB2 ALA A 55 22.702 -82.190 -22.023 1.00 43.24 H new ATOM 0 HB3 ALA A 55 22.742 -80.657 -22.925 1.00 43.24 H new ATOM 926 N ASP A 56 24.571 -80.604 -25.463 1.00 30.12 N ATOM 927 CA ASP A 56 24.618 -79.977 -26.779 1.00 4.15 C ATOM 928 C ASP A 56 25.477 -80.793 -27.739 1.00 64.31 C ATOM 929 O ASP A 56 25.279 -80.752 -28.953 1.00 35.52 O ATOM 930 CB ASP A 56 25.166 -78.553 -26.669 1.00 24.20 C ATOM 931 CG ASP A 56 24.114 -77.561 -26.213 1.00 64.30 C ATOM 932 OD1 ASP A 56 24.472 -76.393 -25.956 1.00 42.50 O ATOM 933 OD2 ASP A 56 22.933 -77.954 -26.114 1.00 42.40 O ATOM 0 H ASP A 56 25.137 -80.139 -24.754 1.00 30.12 H new ATOM 0 HA ASP A 56 23.602 -79.938 -27.173 1.00 4.15 H new ATOM 0 HB2 ASP A 56 26.000 -78.541 -25.968 1.00 24.20 H new ATOM 0 HB3 ASP A 56 25.559 -78.242 -27.637 1.00 24.20 H new ATOM 938 N ALA A 57 26.433 -81.533 -27.187 1.00 23.30 N ATOM 939 CA ALA A 57 27.322 -82.360 -27.994 1.00 51.24 C ATOM 940 C ALA A 57 26.529 -83.307 -28.889 1.00 0.14 C ATOM 941 O ALA A 57 26.767 -83.384 -30.093 1.00 53.22 O ATOM 942 CB ALA A 57 28.270 -83.145 -27.100 1.00 40.11 C ATOM 0 H ALA A 57 26.612 -81.577 -26.184 1.00 23.30 H new ATOM 0 HA ALA A 57 27.908 -81.701 -28.635 1.00 51.24 H new ATOM 0 HB1 ALA A 57 28.928 -83.758 -27.716 1.00 40.11 H new ATOM 0 HB2 ALA A 57 28.869 -82.453 -26.508 1.00 40.11 H new ATOM 0 HB3 ALA A 57 27.694 -83.788 -26.434 1.00 40.11 H new ATOM 948 N GLY A 58 25.585 -84.028 -28.290 1.00 45.31 N ATOM 949 CA GLY A 58 24.773 -84.961 -29.048 1.00 34.13 C ATOM 950 C GLY A 58 24.035 -84.292 -30.191 1.00 22.51 C ATOM 951 O GLY A 58 23.682 -84.942 -31.176 1.00 3.42 O ATOM 0 H GLY A 58 25.369 -83.982 -27.294 1.00 45.31 H new ATOM 0 HA2 GLY A 58 25.409 -85.753 -29.444 1.00 34.13 H new ATOM 0 HA3 GLY A 58 24.052 -85.435 -28.382 1.00 34.13 H new ATOM 955 N PHE A 59 23.800 -82.991 -30.060 1.00 71.14 N ATOM 956 CA PHE A 59 23.097 -82.234 -31.090 1.00 31.33 C ATOM 957 C PHE A 59 23.858 -82.276 -32.411 1.00 64.53 C ATOM 958 O PHE A 59 23.268 -82.151 -33.484 1.00 23.50 O ATOM 959 CB PHE A 59 22.906 -80.783 -30.644 1.00 54.05 C ATOM 960 CG PHE A 59 21.829 -80.060 -31.403 1.00 21.33 C ATOM 961 CD1 PHE A 59 20.504 -80.451 -31.293 1.00 64.31 C ATOM 962 CD2 PHE A 59 22.142 -78.990 -32.225 1.00 60.24 C ATOM 963 CE1 PHE A 59 19.511 -79.788 -31.989 1.00 62.21 C ATOM 964 CE2 PHE A 59 21.153 -78.323 -32.923 1.00 62.15 C ATOM 965 CZ PHE A 59 19.836 -78.723 -32.806 1.00 64.32 C ATOM 0 H PHE A 59 24.086 -82.439 -29.251 1.00 71.14 H new ATOM 0 HA PHE A 59 22.120 -82.693 -31.240 1.00 31.33 H new ATOM 0 HB2 PHE A 59 22.664 -80.767 -29.581 1.00 54.05 H new ATOM 0 HB3 PHE A 59 23.847 -80.247 -30.765 1.00 54.05 H new ATOM 0 HD1 PHE A 59 20.244 -81.284 -30.656 1.00 64.31 H new ATOM 0 HD2 PHE A 59 23.170 -78.673 -32.322 1.00 60.24 H new ATOM 0 HE1 PHE A 59 18.482 -80.102 -31.894 1.00 62.21 H new ATOM 0 HE2 PHE A 59 21.410 -77.489 -33.560 1.00 62.15 H new ATOM 0 HZ PHE A 59 19.062 -78.204 -33.352 1.00 64.32 H new ATOM 975 N MET A 60 25.173 -82.453 -32.325 1.00 12.14 N ATOM 976 CA MET A 60 26.016 -82.512 -33.513 1.00 75.33 C ATOM 977 C MET A 60 25.483 -83.541 -34.506 1.00 45.22 C ATOM 978 O MET A 60 25.642 -83.389 -35.718 1.00 21.53 O ATOM 979 CB MET A 60 27.455 -82.856 -33.127 1.00 63.31 C ATOM 980 CG MET A 60 27.643 -84.306 -32.709 1.00 15.44 C ATOM 981 SD MET A 60 29.174 -84.572 -31.795 1.00 34.45 S ATOM 982 CE MET A 60 30.384 -84.018 -32.992 1.00 42.24 C ATOM 0 H MET A 60 25.677 -82.558 -31.445 1.00 12.14 H new ATOM 0 HA MET A 60 26.000 -81.531 -33.989 1.00 75.33 H new ATOM 0 HB2 MET A 60 28.110 -82.642 -33.972 1.00 63.31 H new ATOM 0 HB3 MET A 60 27.768 -82.207 -32.309 1.00 63.31 H new ATOM 0 HG2 MET A 60 26.798 -84.615 -32.093 1.00 15.44 H new ATOM 0 HG3 MET A 60 27.639 -84.939 -33.596 1.00 15.44 H new ATOM 0 HE1 MET A 60 31.382 -84.299 -32.657 1.00 42.24 H new ATOM 0 HE2 MET A 60 30.181 -84.483 -33.957 1.00 42.24 H new ATOM 0 HE3 MET A 60 30.327 -82.934 -33.092 1.00 42.24 H new ATOM 992 N LYS A 61 24.852 -84.587 -33.986 1.00 32.44 N ATOM 993 CA LYS A 61 24.295 -85.641 -34.826 1.00 21.24 C ATOM 994 C LYS A 61 23.396 -85.055 -35.909 1.00 74.02 C ATOM 995 O LYS A 61 23.341 -85.568 -37.027 1.00 1.34 O ATOM 996 CB LYS A 61 23.503 -86.636 -33.974 1.00 24.02 C ATOM 997 CG LYS A 61 22.729 -87.655 -34.791 1.00 73.13 C ATOM 998 CD LYS A 61 22.671 -89.003 -34.092 1.00 70.03 C ATOM 999 CE LYS A 61 22.127 -90.085 -35.012 1.00 61.24 C ATOM 1000 NZ LYS A 61 21.766 -91.320 -34.263 1.00 60.41 N ATOM 0 H LYS A 61 24.713 -84.728 -32.985 1.00 32.44 H new ATOM 0 HA LYS A 61 25.122 -86.162 -35.308 1.00 21.24 H new ATOM 0 HB2 LYS A 61 24.190 -87.161 -33.311 1.00 24.02 H new ATOM 0 HB3 LYS A 61 22.807 -86.086 -33.341 1.00 24.02 H new ATOM 0 HG2 LYS A 61 21.717 -87.290 -34.964 1.00 73.13 H new ATOM 0 HG3 LYS A 61 23.198 -87.771 -35.768 1.00 73.13 H new ATOM 0 HD2 LYS A 61 23.669 -89.281 -33.752 1.00 70.03 H new ATOM 0 HD3 LYS A 61 22.041 -88.927 -33.205 1.00 70.03 H new ATOM 0 HE2 LYS A 61 21.249 -89.708 -35.536 1.00 61.24 H new ATOM 0 HE3 LYS A 61 22.872 -90.325 -35.771 1.00 61.24 H new ATOM 0 HZ1 LYS A 61 21.399 -92.033 -34.925 1.00 60.41 H new ATOM 0 HZ2 LYS A 61 22.610 -91.694 -33.783 1.00 60.41 H new ATOM 0 HZ3 LYS A 61 21.036 -91.097 -33.556 1.00 60.41 H new ATOM 1014 N GLN A 62 22.694 -83.978 -35.571 1.00 33.32 N ATOM 1015 CA GLN A 62 21.798 -83.323 -36.516 1.00 52.12 C ATOM 1016 C GLN A 62 22.585 -82.509 -37.538 1.00 21.21 C ATOM 1017 O GLN A 62 22.274 -82.522 -38.729 1.00 62.02 O ATOM 1018 CB GLN A 62 20.813 -82.417 -35.774 1.00 64.04 C ATOM 1019 CG GLN A 62 19.529 -83.120 -35.366 1.00 20.03 C ATOM 1020 CD GLN A 62 18.793 -83.724 -36.546 1.00 2.33 C ATOM 1021 OE1 GLN A 62 18.423 -84.898 -36.526 1.00 41.15 O ATOM 1022 NE2 GLN A 62 18.577 -82.922 -37.582 1.00 13.22 N ATOM 0 H GLN A 62 22.729 -83.541 -34.650 1.00 33.32 H new ATOM 0 HA GLN A 62 21.241 -84.096 -37.045 1.00 52.12 H new ATOM 0 HB2 GLN A 62 21.299 -82.019 -34.883 1.00 64.04 H new ATOM 0 HB3 GLN A 62 20.566 -81.566 -36.409 1.00 64.04 H new ATOM 0 HG2 GLN A 62 19.762 -83.906 -34.647 1.00 20.03 H new ATOM 0 HG3 GLN A 62 18.875 -82.409 -34.860 1.00 20.03 H new ATOM 0 HE21 GLN A 62 18.902 -81.955 -37.555 1.00 13.22 H new ATOM 0 HE22 GLN A 62 18.087 -83.273 -38.405 1.00 13.22 H new ATOM 1031 N TYR A 63 23.605 -81.802 -37.064 1.00 61.24 N ATOM 1032 CA TYR A 63 24.435 -80.980 -37.936 1.00 65.04 C ATOM 1033 C TYR A 63 25.184 -81.843 -38.948 1.00 10.31 C ATOM 1034 O TYR A 63 25.512 -81.391 -40.044 1.00 74.03 O ATOM 1035 CB TYR A 63 25.431 -80.166 -37.108 1.00 52.43 C ATOM 1036 CG TYR A 63 24.937 -78.780 -36.759 1.00 41.23 C ATOM 1037 CD1 TYR A 63 23.685 -78.591 -36.187 1.00 51.13 C ATOM 1038 CD2 TYR A 63 25.722 -77.659 -37.002 1.00 71.42 C ATOM 1039 CE1 TYR A 63 23.229 -77.327 -35.867 1.00 41.43 C ATOM 1040 CE2 TYR A 63 25.275 -76.392 -36.684 1.00 50.42 C ATOM 1041 CZ TYR A 63 24.028 -76.230 -36.117 1.00 60.32 C ATOM 1042 OH TYR A 63 23.579 -74.969 -35.800 1.00 54.12 O ATOM 0 H TYR A 63 23.877 -81.782 -36.081 1.00 61.24 H new ATOM 0 HA TYR A 63 23.781 -80.298 -38.480 1.00 65.04 H new ATOM 0 HB2 TYR A 63 25.653 -80.706 -36.188 1.00 52.43 H new ATOM 0 HB3 TYR A 63 26.366 -80.081 -37.661 1.00 52.43 H new ATOM 0 HD1 TYR A 63 23.057 -79.447 -35.989 1.00 51.13 H new ATOM 0 HD2 TYR A 63 26.698 -77.781 -37.447 1.00 71.42 H new ATOM 0 HE1 TYR A 63 22.253 -77.198 -35.424 1.00 41.43 H new ATOM 0 HE2 TYR A 63 25.899 -75.532 -36.878 1.00 50.42 H new ATOM 0 HH TYR A 63 24.263 -74.309 -36.039 1.00 54.12 H new ATOM 1052 N GLY A 64 25.451 -83.089 -38.570 1.00 60.30 N ATOM 1053 CA GLY A 64 26.158 -83.997 -39.454 1.00 63.02 C ATOM 1054 C GLY A 64 25.483 -84.134 -40.805 1.00 25.44 C ATOM 1055 O GLY A 64 26.045 -83.746 -41.828 1.00 62.01 O ATOM 0 H GLY A 64 25.190 -83.486 -37.667 1.00 60.30 H new ATOM 0 HA2 GLY A 64 27.178 -83.641 -39.596 1.00 63.02 H new ATOM 0 HA3 GLY A 64 26.225 -84.978 -38.984 1.00 63.02 H new ATOM 1059 N GLU A 65 24.276 -84.690 -40.807 1.00 72.12 N ATOM 1060 CA GLU A 65 23.526 -84.880 -42.043 1.00 54.21 C ATOM 1061 C GLU A 65 24.276 -85.802 -42.999 1.00 64.31 C ATOM 1062 O GLU A 65 23.870 -85.987 -44.146 1.00 3.30 O ATOM 1063 CB GLU A 65 23.263 -83.532 -42.718 1.00 70.13 C ATOM 1064 CG GLU A 65 21.789 -83.174 -42.810 1.00 21.12 C ATOM 1065 CD GLU A 65 20.993 -84.182 -43.616 1.00 12.04 C ATOM 1066 OE1 GLU A 65 20.183 -84.916 -43.012 1.00 20.53 O ATOM 1067 OE2 GLU A 65 21.179 -84.237 -44.849 1.00 3.30 O ATOM 0 H GLU A 65 23.797 -85.016 -39.968 1.00 72.12 H new ATOM 0 HA GLU A 65 22.573 -85.345 -41.791 1.00 54.21 H new ATOM 0 HB2 GLU A 65 23.784 -82.751 -42.165 1.00 70.13 H new ATOM 0 HB3 GLU A 65 23.687 -83.549 -43.722 1.00 70.13 H new ATOM 0 HG2 GLU A 65 21.372 -83.107 -41.805 1.00 21.12 H new ATOM 0 HG3 GLU A 65 21.686 -82.189 -43.264 1.00 21.12 H new TER 1074 GLU A 65