USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 81:sc= 1.26 USER MOD Set 2.1: A 61 HIS : no HD1:sc= -12.9! C(o=-12!,f=-12!) USER MOD Set 2.2: A 72 THR OG1 : rot 1:sc= 1.21 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 0.819 (180deg=0) USER MOD Set 3.2: A 34 ASN : amide:sc= -2.08! C(o=-1.3!,f=-4.7!) USER MOD Single : A 1 GLU N :NH3+ 130:sc= 0.087 (180deg=-0.068) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -6:sc= -0.284 USER MOD Single : A 9 SER OG : rot 35:sc= 0.105 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc=-0.00487 (180deg=-0.81) USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 0.865 (180deg=-1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -8.33! C(o=-8.3!,f=-17!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.749 X(o=-0.75,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -3.52! C(o=-3.5!,f=-12!) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 0.466 (180deg=0.218) USER MOD Single : A 52 SER OG : rot 52:sc= 0.535 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -38:sc= 0.291 USER MOD Single : A 60 SER OG : rot 150:sc= -1.18 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -121:sc= 0 (180deg=-0.0399) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.7!) USER MOD Single : A 71 SER OG : rot -43:sc= -3.42! USER MOD Single : A 73 SER OG : rot 160:sc= -1.21 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 59:sc= -0.17 USER MOD Single : A 86 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -107:sc= -12.9! (180deg=-19.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.227 16.459 2.189 1.00 0.00 N ATOM 2 CA GLU A 1 3.780 16.263 1.892 1.00 0.00 C ATOM 3 C GLU A 1 3.381 14.825 2.230 1.00 0.00 C ATOM 4 O GLU A 1 4.218 13.982 2.485 1.00 0.00 O ATOM 5 CB GLU A 1 3.523 16.526 0.407 1.00 0.00 C ATOM 6 CG GLU A 1 4.240 15.466 -0.432 1.00 0.00 C ATOM 7 CD GLU A 1 5.400 16.111 -1.194 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.430 17.329 -1.271 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.239 15.376 -1.688 1.00 0.00 O ATOM 0 H1 GLU A 1 5.695 16.891 1.367 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.331 17.084 3.014 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.667 15.539 2.394 1.00 0.00 H new ATOM 0 HA GLU A 1 3.189 16.956 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.453 16.503 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.878 17.520 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.613 14.670 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.541 15.009 -1.133 1.00 0.00 H new ATOM 18 N THR A 2 2.109 14.538 2.233 1.00 0.00 N ATOM 19 CA THR A 2 1.662 13.154 2.555 1.00 0.00 C ATOM 20 C THR A 2 0.814 12.610 1.403 1.00 0.00 C ATOM 21 O THR A 2 -0.141 13.228 0.977 1.00 0.00 O ATOM 22 CB THR A 2 0.824 13.172 3.836 1.00 0.00 C ATOM 23 OG1 THR A 2 1.091 14.366 4.559 1.00 0.00 O ATOM 24 CG2 THR A 2 1.182 11.959 4.697 1.00 0.00 C ATOM 0 H THR A 2 1.361 15.200 2.027 1.00 0.00 H new ATOM 0 HA THR A 2 2.534 12.517 2.699 1.00 0.00 H new ATOM 0 HB THR A 2 -0.235 13.133 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.554 14.379 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.586 11.972 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.976 11.044 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.240 11.996 4.955 1.00 0.00 H new ATOM 32 N TYR A 3 1.152 11.455 0.898 1.00 0.00 N ATOM 33 CA TYR A 3 0.360 10.872 -0.222 1.00 0.00 C ATOM 34 C TYR A 3 -0.845 10.122 0.352 1.00 0.00 C ATOM 35 O TYR A 3 -0.937 9.900 1.544 1.00 0.00 O ATOM 36 CB TYR A 3 1.236 9.903 -1.018 1.00 0.00 C ATOM 37 CG TYR A 3 2.060 10.679 -2.019 1.00 0.00 C ATOM 38 CD1 TYR A 3 1.434 11.310 -3.101 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.449 10.767 -1.866 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.196 12.031 -4.028 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.211 11.489 -2.794 1.00 0.00 C ATOM 42 CZ TYR A 3 3.584 12.120 -3.875 1.00 0.00 C ATOM 43 OH TYR A 3 4.335 12.831 -4.788 1.00 0.00 O ATOM 0 H TYR A 3 1.941 10.890 1.212 1.00 0.00 H new ATOM 0 HA TYR A 3 0.015 11.669 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.889 9.349 -0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.613 9.171 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.363 11.240 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.933 10.279 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.712 12.519 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.282 11.559 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 3 5.281 12.793 -4.534 1.00 0.00 H new ATOM 53 N THR A 4 -1.771 9.731 -0.480 1.00 0.00 N ATOM 54 CA THR A 4 -2.965 8.998 0.031 1.00 0.00 C ATOM 55 C THR A 4 -3.632 8.233 -1.114 1.00 0.00 C ATOM 56 O THR A 4 -4.035 8.808 -2.106 1.00 0.00 O ATOM 57 CB THR A 4 -3.963 9.999 0.622 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.412 10.579 1.797 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.267 9.280 0.968 1.00 0.00 C ATOM 0 H THR A 4 -1.753 9.886 -1.488 1.00 0.00 H new ATOM 0 HA THR A 4 -2.652 8.293 0.801 1.00 0.00 H new ATOM 0 HB THR A 4 -4.167 10.782 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.566 10.135 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.976 9.994 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.689 8.838 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.067 8.495 1.697 1.00 0.00 H new ATOM 67 N VAL A 5 -3.762 6.940 -0.981 1.00 0.00 N ATOM 68 CA VAL A 5 -4.415 6.143 -2.058 1.00 0.00 C ATOM 69 C VAL A 5 -5.810 5.729 -1.594 1.00 0.00 C ATOM 70 O VAL A 5 -6.410 6.368 -0.752 1.00 0.00 O ATOM 71 CB VAL A 5 -3.591 4.887 -2.359 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.723 4.535 -3.840 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.118 5.139 -2.035 1.00 0.00 C ATOM 0 H VAL A 5 -3.445 6.403 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.483 6.749 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.961 4.064 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.137 3.641 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.770 4.348 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.356 5.364 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.539 4.241 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.748 5.965 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.016 5.391 -0.979 1.00 0.00 H new ATOM 83 N LYS A 6 -6.330 4.665 -2.134 1.00 0.00 N ATOM 84 CA LYS A 6 -7.687 4.206 -1.721 1.00 0.00 C ATOM 85 C LYS A 6 -8.010 2.880 -2.412 1.00 0.00 C ATOM 86 O LYS A 6 -7.907 2.757 -3.616 1.00 0.00 O ATOM 87 CB LYS A 6 -8.727 5.257 -2.121 1.00 0.00 C ATOM 88 CG LYS A 6 -10.086 4.883 -1.526 1.00 0.00 C ATOM 89 CD LYS A 6 -11.202 5.527 -2.353 1.00 0.00 C ATOM 90 CE LYS A 6 -12.525 4.816 -2.065 1.00 0.00 C ATOM 91 NZ LYS A 6 -13.554 5.821 -1.672 1.00 0.00 N ATOM 0 H LYS A 6 -5.875 4.091 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.709 4.067 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.421 6.241 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.798 5.319 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.205 3.800 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.146 5.219 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.285 6.586 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.966 5.462 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.855 4.268 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.391 4.085 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.470 5.347 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.271 6.278 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.639 6.540 -2.418 1.00 0.00 H new ATOM 105 N LEU A 7 -8.404 1.888 -1.661 1.00 0.00 N ATOM 106 CA LEU A 7 -8.737 0.575 -2.280 1.00 0.00 C ATOM 107 C LEU A 7 -10.255 0.451 -2.407 1.00 0.00 C ATOM 108 O LEU A 7 -10.932 0.034 -1.489 1.00 0.00 O ATOM 109 CB LEU A 7 -8.205 -0.582 -1.420 1.00 0.00 C ATOM 110 CG LEU A 7 -7.949 -0.123 0.018 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.880 -1.346 0.934 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.620 0.633 0.086 1.00 0.00 C ATOM 0 H LEU A 7 -8.509 1.930 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.270 0.523 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.924 -1.402 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.282 -0.967 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.758 0.533 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.698 -1.023 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.824 -1.889 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.069 -1.998 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.439 0.959 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.811 -0.024 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.662 1.503 -0.570 1.00 0.00 H new ATOM 124 N GLY A 8 -10.795 0.813 -3.537 1.00 0.00 N ATOM 125 CA GLY A 8 -12.270 0.719 -3.721 1.00 0.00 C ATOM 126 C GLY A 8 -12.724 1.770 -4.732 1.00 0.00 C ATOM 127 O GLY A 8 -13.377 2.734 -4.387 1.00 0.00 O ATOM 0 H GLY A 8 -10.279 1.170 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.541 -0.278 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.777 0.872 -2.768 1.00 0.00 H new ATOM 131 N SER A 9 -12.386 1.594 -5.981 1.00 0.00 N ATOM 132 CA SER A 9 -12.805 2.590 -7.006 1.00 0.00 C ATOM 133 C SER A 9 -14.285 2.916 -6.808 1.00 0.00 C ATOM 134 O SER A 9 -15.052 2.097 -6.344 1.00 0.00 O ATOM 135 CB SER A 9 -12.587 2.012 -8.405 1.00 0.00 C ATOM 136 OG SER A 9 -12.796 0.607 -8.371 1.00 0.00 O ATOM 0 H SER A 9 -11.841 0.807 -6.334 1.00 0.00 H new ATOM 0 HA SER A 9 -12.212 3.498 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.273 2.476 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.576 2.233 -8.749 1.00 0.00 H new ATOM 0 HG SER A 9 -13.509 0.398 -7.733 1.00 0.00 H new ATOM 142 N ASP A 10 -14.693 4.106 -7.151 1.00 0.00 N ATOM 143 CA ASP A 10 -16.124 4.478 -6.973 1.00 0.00 C ATOM 144 C ASP A 10 -16.917 4.085 -8.223 1.00 0.00 C ATOM 145 O ASP A 10 -17.825 4.779 -8.637 1.00 0.00 O ATOM 146 CB ASP A 10 -16.236 5.988 -6.748 1.00 0.00 C ATOM 147 CG ASP A 10 -15.968 6.725 -8.062 1.00 0.00 C ATOM 148 OD1 ASP A 10 -15.208 6.209 -8.865 1.00 0.00 O ATOM 149 OD2 ASP A 10 -16.528 7.794 -8.243 1.00 0.00 O ATOM 0 H ASP A 10 -14.099 4.835 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.529 3.952 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.230 6.237 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.522 6.307 -5.989 1.00 0.00 H new ATOM 154 N LYS A 11 -16.584 2.976 -8.825 1.00 0.00 N ATOM 155 CA LYS A 11 -17.320 2.538 -10.045 1.00 0.00 C ATOM 156 C LYS A 11 -17.911 1.146 -9.810 1.00 0.00 C ATOM 157 O LYS A 11 -18.930 0.791 -10.368 1.00 0.00 O ATOM 158 CB LYS A 11 -16.358 2.491 -11.235 1.00 0.00 C ATOM 159 CG LYS A 11 -15.969 3.916 -11.634 1.00 0.00 C ATOM 160 CD LYS A 11 -16.077 4.069 -13.153 1.00 0.00 C ATOM 161 CE LYS A 11 -14.697 4.385 -13.731 1.00 0.00 C ATOM 162 NZ LYS A 11 -14.565 5.857 -13.921 1.00 0.00 N ATOM 0 H LYS A 11 -15.834 2.354 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.123 3.244 -10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.467 1.919 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.828 1.982 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.622 4.635 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.952 4.131 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.467 3.152 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.778 4.866 -13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.918 4.023 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.563 3.871 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.627 6.074 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.300 6.190 -14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.676 6.337 -13.005 1.00 0.00 H new ATOM 176 N GLY A 12 -17.279 0.353 -8.987 1.00 0.00 N ATOM 177 CA GLY A 12 -17.804 -1.015 -8.717 1.00 0.00 C ATOM 178 C GLY A 12 -16.642 -2.011 -8.693 1.00 0.00 C ATOM 179 O GLY A 12 -16.709 -3.071 -9.285 1.00 0.00 O ATOM 0 H GLY A 12 -16.421 0.594 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.332 -1.032 -7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.524 -1.298 -9.485 1.00 0.00 H new ATOM 183 N LEU A 13 -15.575 -1.680 -8.015 1.00 0.00 N ATOM 184 CA LEU A 13 -14.409 -2.609 -7.958 1.00 0.00 C ATOM 185 C LEU A 13 -13.474 -2.192 -6.818 1.00 0.00 C ATOM 186 O LEU A 13 -13.654 -1.162 -6.199 1.00 0.00 O ATOM 187 CB LEU A 13 -13.649 -2.552 -9.284 1.00 0.00 C ATOM 188 CG LEU A 13 -13.910 -3.831 -10.080 1.00 0.00 C ATOM 189 CD1 LEU A 13 -13.477 -3.627 -11.533 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.110 -4.982 -9.468 1.00 0.00 C ATOM 0 H LEU A 13 -15.461 -0.808 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.764 -3.625 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.966 -1.682 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.581 -2.439 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.974 -4.068 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.663 -4.539 -12.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -14.045 -2.806 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.414 -3.390 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.295 -5.895 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.047 -4.744 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.418 -5.129 -8.433 1.00 0.00 H new ATOM 202 N LEU A 14 -12.476 -2.988 -6.535 1.00 0.00 N ATOM 203 CA LEU A 14 -11.531 -2.641 -5.434 1.00 0.00 C ATOM 204 C LEU A 14 -10.114 -2.480 -5.996 1.00 0.00 C ATOM 205 O LEU A 14 -9.396 -3.443 -6.178 1.00 0.00 O ATOM 206 CB LEU A 14 -11.543 -3.757 -4.388 1.00 0.00 C ATOM 207 CG LEU A 14 -12.922 -3.829 -3.735 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.939 -4.959 -2.703 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.224 -2.501 -3.038 1.00 0.00 C ATOM 0 H LEU A 14 -12.275 -3.863 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.841 -1.703 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.300 -4.711 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.780 -3.570 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.676 -4.021 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.923 -5.011 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.721 -5.906 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.185 -4.766 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.208 -2.550 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.469 -2.311 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.210 -1.694 -3.771 1.00 0.00 H new ATOM 221 N VAL A 15 -9.706 -1.267 -6.268 1.00 0.00 N ATOM 222 CA VAL A 15 -8.334 -1.042 -6.814 1.00 0.00 C ATOM 223 C VAL A 15 -7.736 0.222 -6.184 1.00 0.00 C ATOM 224 O VAL A 15 -8.449 1.109 -5.759 1.00 0.00 O ATOM 225 CB VAL A 15 -8.407 -0.858 -8.334 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.005 -2.108 -8.982 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.285 0.352 -8.658 1.00 0.00 C ATOM 0 H VAL A 15 -10.263 -0.423 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.708 -1.903 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.402 -0.698 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.054 -1.970 -10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.379 -2.971 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.009 -2.275 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.338 0.484 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.288 0.190 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.856 1.245 -8.204 1.00 0.00 H new ATOM 237 N PHE A 16 -6.432 0.315 -6.124 1.00 0.00 N ATOM 238 CA PHE A 16 -5.800 1.527 -5.526 1.00 0.00 C ATOM 239 C PHE A 16 -6.171 2.752 -6.366 1.00 0.00 C ATOM 240 O PHE A 16 -6.565 2.635 -7.509 1.00 0.00 O ATOM 241 CB PHE A 16 -4.276 1.364 -5.507 1.00 0.00 C ATOM 242 CG PHE A 16 -3.875 0.427 -4.391 1.00 0.00 C ATOM 243 CD1 PHE A 16 -3.834 -0.954 -4.616 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.544 0.941 -3.131 1.00 0.00 C ATOM 245 CE1 PHE A 16 -3.460 -1.821 -3.582 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.171 0.073 -2.097 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.130 -1.308 -2.322 1.00 0.00 C ATOM 0 H PHE A 16 -5.781 -0.393 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.158 1.656 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.931 0.973 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.799 2.334 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.091 -1.351 -5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.576 2.006 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.426 -2.886 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.915 0.469 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.844 -1.977 -1.524 1.00 0.00 H new ATOM 257 N GLU A 17 -6.051 3.926 -5.809 1.00 0.00 N ATOM 258 CA GLU A 17 -6.400 5.152 -6.580 1.00 0.00 C ATOM 259 C GLU A 17 -5.302 6.208 -6.395 1.00 0.00 C ATOM 260 O GLU A 17 -5.232 6.844 -5.362 1.00 0.00 O ATOM 261 CB GLU A 17 -7.728 5.711 -6.063 1.00 0.00 C ATOM 262 CG GLU A 17 -8.884 5.068 -6.832 1.00 0.00 C ATOM 263 CD GLU A 17 -9.640 6.144 -7.613 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.066 7.107 -6.996 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.783 5.986 -8.814 1.00 0.00 O ATOM 0 H GLU A 17 -5.727 4.089 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.489 4.902 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.829 5.509 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.752 6.794 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.503 4.309 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.559 4.564 -6.140 1.00 0.00 H new ATOM 272 N PRO A 18 -4.473 6.365 -7.399 1.00 0.00 N ATOM 273 CA PRO A 18 -4.555 5.595 -8.654 1.00 0.00 C ATOM 274 C PRO A 18 -3.988 4.187 -8.457 1.00 0.00 C ATOM 275 O PRO A 18 -3.826 3.722 -7.347 1.00 0.00 O ATOM 276 CB PRO A 18 -3.687 6.401 -9.624 1.00 0.00 C ATOM 277 CG PRO A 18 -2.727 7.244 -8.759 1.00 0.00 C ATOM 278 CD PRO A 18 -3.364 7.338 -7.363 1.00 0.00 C ATOM 0 HA PRO A 18 -5.577 5.463 -9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.131 5.739 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.303 7.041 -10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.743 6.778 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.587 8.236 -9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.645 7.093 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.726 8.346 -7.158 1.00 0.00 H new ATOM 286 N ALA A 19 -3.688 3.504 -9.528 1.00 0.00 N ATOM 287 CA ALA A 19 -3.136 2.127 -9.405 1.00 0.00 C ATOM 288 C ALA A 19 -1.699 2.195 -8.886 1.00 0.00 C ATOM 289 O ALA A 19 -1.262 1.353 -8.127 1.00 0.00 O ATOM 290 CB ALA A 19 -3.151 1.449 -10.777 1.00 0.00 C ATOM 0 H ALA A 19 -3.802 3.842 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.746 1.553 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.747 0.440 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.175 1.399 -11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.541 2.024 -11.474 1.00 0.00 H new ATOM 296 N LYS A 20 -0.959 3.189 -9.292 1.00 0.00 N ATOM 297 CA LYS A 20 0.450 3.309 -8.822 1.00 0.00 C ATOM 298 C LYS A 20 0.603 4.587 -7.997 1.00 0.00 C ATOM 299 O LYS A 20 -0.272 5.429 -7.971 1.00 0.00 O ATOM 300 CB LYS A 20 1.388 3.364 -10.030 1.00 0.00 C ATOM 301 CG LYS A 20 0.959 4.500 -10.962 1.00 0.00 C ATOM 302 CD LYS A 20 0.791 3.958 -12.383 1.00 0.00 C ATOM 303 CE LYS A 20 0.928 5.103 -13.387 1.00 0.00 C ATOM 304 NZ LYS A 20 0.229 6.309 -12.862 1.00 0.00 N ATOM 0 H LYS A 20 -1.269 3.923 -9.929 1.00 0.00 H new ATOM 0 HA LYS A 20 0.704 2.446 -8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.415 3.520 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.366 2.414 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.022 4.936 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.704 5.295 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.542 3.194 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.184 3.482 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.981 5.326 -13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.502 4.812 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.022 6.936 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.636 6.019 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.856 6.815 -12.204 1.00 0.00 H new ATOM 318 N LEU A 21 1.709 4.740 -7.322 1.00 0.00 N ATOM 319 CA LEU A 21 1.915 5.964 -6.499 1.00 0.00 C ATOM 320 C LEU A 21 3.406 6.295 -6.440 1.00 0.00 C ATOM 321 O LEU A 21 4.248 5.419 -6.463 1.00 0.00 O ATOM 322 CB LEU A 21 1.394 5.720 -5.082 1.00 0.00 C ATOM 323 CG LEU A 21 1.069 7.060 -4.420 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.390 7.424 -4.695 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.289 6.951 -2.909 1.00 0.00 C ATOM 0 H LEU A 21 2.478 4.070 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 21 1.374 6.797 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.503 5.092 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.141 5.184 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 21 1.721 7.833 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.622 8.379 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.549 7.502 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.041 6.651 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.057 7.906 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.638 6.178 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.329 6.691 -2.711 1.00 0.00 H new ATOM 337 N THR A 22 3.741 7.554 -6.362 1.00 0.00 N ATOM 338 CA THR A 22 5.179 7.938 -6.300 1.00 0.00 C ATOM 339 C THR A 22 5.474 8.591 -4.950 1.00 0.00 C ATOM 340 O THR A 22 5.191 9.753 -4.736 1.00 0.00 O ATOM 341 CB THR A 22 5.494 8.927 -7.425 1.00 0.00 C ATOM 342 OG1 THR A 22 5.068 8.383 -8.667 1.00 0.00 O ATOM 343 CG2 THR A 22 7.000 9.188 -7.470 1.00 0.00 C ATOM 0 H THR A 22 3.082 8.332 -6.339 1.00 0.00 H new ATOM 0 HA THR A 22 5.797 7.048 -6.416 1.00 0.00 H new ATOM 0 HB THR A 22 4.970 9.865 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.268 9.017 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.223 9.892 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.325 9.607 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.526 8.251 -7.653 1.00 0.00 H new ATOM 351 N ILE A 23 6.042 7.854 -4.037 1.00 0.00 N ATOM 352 CA ILE A 23 6.354 8.430 -2.706 1.00 0.00 C ATOM 353 C ILE A 23 7.833 8.799 -2.638 1.00 0.00 C ATOM 354 O ILE A 23 8.583 8.581 -3.570 1.00 0.00 O ATOM 355 CB ILE A 23 6.042 7.405 -1.618 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.771 6.098 -1.931 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.539 7.152 -1.579 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.327 5.498 -0.639 1.00 0.00 C ATOM 0 H ILE A 23 6.303 6.875 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 23 5.748 9.323 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 23 6.372 7.784 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.088 5.394 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.581 6.282 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.313 6.421 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.019 8.085 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.209 6.770 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.846 4.566 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.024 6.201 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.508 5.299 0.052 1.00 0.00 H new ATOM 370 N LYS A 24 8.260 9.348 -1.535 1.00 0.00 N ATOM 371 CA LYS A 24 9.691 9.723 -1.397 1.00 0.00 C ATOM 372 C LYS A 24 10.419 8.574 -0.679 1.00 0.00 C ATOM 373 O LYS A 24 9.827 7.540 -0.442 1.00 0.00 O ATOM 374 CB LYS A 24 9.815 11.031 -0.594 1.00 0.00 C ATOM 375 CG LYS A 24 8.598 11.935 -0.835 1.00 0.00 C ATOM 376 CD LYS A 24 8.897 12.898 -1.986 1.00 0.00 C ATOM 377 CE LYS A 24 9.651 14.116 -1.449 1.00 0.00 C ATOM 378 NZ LYS A 24 8.684 15.216 -1.168 1.00 0.00 N ATOM 0 H LYS A 24 7.677 9.553 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 24 10.139 9.887 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.901 10.804 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.726 11.555 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.723 11.329 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.363 12.495 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.492 12.396 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.968 13.213 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.191 13.851 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.393 14.447 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.936 16.052 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.723 14.906 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.718 15.458 -0.157 1.00 0.00 H new ATOM 392 N PRO A 25 11.677 8.768 -0.363 1.00 0.00 N ATOM 393 CA PRO A 25 12.478 7.735 0.313 1.00 0.00 C ATOM 394 C PRO A 25 12.186 7.721 1.814 1.00 0.00 C ATOM 395 O PRO A 25 13.013 8.098 2.620 1.00 0.00 O ATOM 396 CB PRO A 25 13.921 8.164 0.038 1.00 0.00 C ATOM 397 CG PRO A 25 13.876 9.679 -0.274 1.00 0.00 C ATOM 398 CD PRO A 25 12.418 10.015 -0.639 1.00 0.00 C ATOM 0 HA PRO A 25 12.263 6.727 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.556 7.964 0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.338 7.607 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.203 10.261 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.547 9.924 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.039 10.844 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.327 10.309 -1.685 1.00 0.00 H new ATOM 406 N GLY A 26 11.018 7.280 2.199 1.00 0.00 N ATOM 407 CA GLY A 26 10.691 7.236 3.651 1.00 0.00 C ATOM 408 C GLY A 26 9.617 8.270 3.981 1.00 0.00 C ATOM 409 O GLY A 26 9.732 9.017 4.932 1.00 0.00 O ATOM 0 H GLY A 26 10.282 6.951 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.343 6.240 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.588 7.432 4.239 1.00 0.00 H new ATOM 413 N ASP A 27 8.564 8.303 3.216 1.00 0.00 N ATOM 414 CA ASP A 27 7.469 9.269 3.498 1.00 0.00 C ATOM 415 C ASP A 27 6.265 8.502 4.040 1.00 0.00 C ATOM 416 O ASP A 27 6.380 7.362 4.442 1.00 0.00 O ATOM 417 CB ASP A 27 7.087 10.012 2.216 1.00 0.00 C ATOM 418 CG ASP A 27 7.903 11.302 2.118 1.00 0.00 C ATOM 419 OD1 ASP A 27 9.101 11.242 2.338 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.312 12.330 1.833 1.00 0.00 O ATOM 0 H ASP A 27 8.414 7.701 2.406 1.00 0.00 H new ATOM 0 HA ASP A 27 7.800 10.000 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.275 9.382 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.021 10.241 2.219 1.00 0.00 H new ATOM 425 N THR A 28 5.114 9.111 4.068 1.00 0.00 N ATOM 426 CA THR A 28 3.926 8.403 4.599 1.00 0.00 C ATOM 427 C THR A 28 2.887 8.207 3.495 1.00 0.00 C ATOM 428 O THR A 28 2.718 9.039 2.625 1.00 0.00 O ATOM 429 CB THR A 28 3.312 9.225 5.734 1.00 0.00 C ATOM 430 OG1 THR A 28 4.269 9.383 6.773 1.00 0.00 O ATOM 431 CG2 THR A 28 2.077 8.506 6.278 1.00 0.00 C ATOM 0 H THR A 28 4.948 10.065 3.747 1.00 0.00 H new ATOM 0 HA THR A 28 4.233 7.426 4.972 1.00 0.00 H new ATOM 0 HB THR A 28 3.020 10.205 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.878 9.911 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.641 9.093 7.086 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.344 8.387 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.364 7.525 6.656 1.00 0.00 H new ATOM 439 N VAL A 29 2.182 7.113 3.540 1.00 0.00 N ATOM 440 CA VAL A 29 1.138 6.842 2.523 1.00 0.00 C ATOM 441 C VAL A 29 -0.166 6.523 3.254 1.00 0.00 C ATOM 442 O VAL A 29 -0.225 5.619 4.063 1.00 0.00 O ATOM 443 CB VAL A 29 1.558 5.651 1.660 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.877 5.741 0.293 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.076 5.674 1.470 1.00 0.00 C ATOM 0 H VAL A 29 2.288 6.387 4.249 1.00 0.00 H new ATOM 0 HA VAL A 29 1.003 7.709 1.876 1.00 0.00 H new ATOM 0 HB VAL A 29 1.262 4.725 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.178 4.891 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.205 5.729 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.172 6.667 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.379 4.826 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.367 6.602 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.565 5.610 2.442 1.00 0.00 H new ATOM 455 N GLU A 30 -1.204 7.269 3.002 1.00 0.00 N ATOM 456 CA GLU A 30 -2.482 7.015 3.715 1.00 0.00 C ATOM 457 C GLU A 30 -3.444 6.210 2.838 1.00 0.00 C ATOM 458 O GLU A 30 -4.077 6.738 1.945 1.00 0.00 O ATOM 459 CB GLU A 30 -3.129 8.352 4.082 1.00 0.00 C ATOM 460 CG GLU A 30 -2.124 9.211 4.851 1.00 0.00 C ATOM 461 CD GLU A 30 -2.554 10.678 4.790 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.746 10.928 4.863 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.685 11.525 4.671 1.00 0.00 O ATOM 0 H GLU A 30 -1.222 8.041 2.335 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.270 6.440 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.452 8.871 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.019 8.183 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.066 8.881 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.128 9.095 4.423 1.00 0.00 H new ATOM 470 N PHE A 31 -3.579 4.939 3.107 1.00 0.00 N ATOM 471 CA PHE A 31 -4.524 4.103 2.313 1.00 0.00 C ATOM 472 C PHE A 31 -5.867 4.080 3.051 1.00 0.00 C ATOM 473 O PHE A 31 -5.917 4.229 4.255 1.00 0.00 O ATOM 474 CB PHE A 31 -3.985 2.671 2.183 1.00 0.00 C ATOM 475 CG PHE A 31 -2.476 2.665 2.309 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.676 3.066 1.229 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.876 2.249 3.504 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.281 3.052 1.348 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.481 2.235 3.621 1.00 0.00 C ATOM 480 CZ PHE A 31 0.316 2.636 2.543 1.00 0.00 C ATOM 0 H PHE A 31 -3.075 4.444 3.843 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.641 4.519 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.424 2.038 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.278 2.250 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.136 3.386 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.490 1.939 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.335 3.363 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.020 1.915 4.544 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.392 2.624 2.633 1.00 0.00 H new ATOM 490 N LEU A 32 -6.959 3.913 2.354 1.00 0.00 N ATOM 491 CA LEU A 32 -8.275 3.902 3.052 1.00 0.00 C ATOM 492 C LEU A 32 -9.210 2.858 2.434 1.00 0.00 C ATOM 493 O LEU A 32 -8.942 2.307 1.386 1.00 0.00 O ATOM 494 CB LEU A 32 -8.913 5.288 2.956 1.00 0.00 C ATOM 495 CG LEU A 32 -8.546 5.930 1.619 1.00 0.00 C ATOM 496 CD1 LEU A 32 -9.535 7.052 1.299 1.00 0.00 C ATOM 497 CD2 LEU A 32 -7.132 6.508 1.708 1.00 0.00 C ATOM 0 H LEU A 32 -6.997 3.785 1.343 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.113 3.642 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.996 5.208 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.569 5.915 3.779 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.587 5.178 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.271 7.508 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.543 6.642 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.496 7.806 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.866 6.967 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.095 7.260 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.426 5.709 1.935 1.00 0.00 H new ATOM 509 N ASN A 33 -10.313 2.592 3.087 1.00 0.00 N ATOM 510 CA ASN A 33 -11.287 1.593 2.560 1.00 0.00 C ATOM 511 C ASN A 33 -12.407 2.327 1.810 1.00 0.00 C ATOM 512 O ASN A 33 -12.623 3.506 2.011 1.00 0.00 O ATOM 513 CB ASN A 33 -11.868 0.790 3.738 1.00 0.00 C ATOM 514 CG ASN A 33 -13.075 1.496 4.352 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.275 2.678 4.165 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.888 0.806 5.094 1.00 0.00 N ATOM 0 H ASN A 33 -10.581 3.028 3.969 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.791 0.909 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.161 -0.202 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.100 0.650 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.697 1.258 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.718 -0.188 5.250 1.00 0.00 H new ATOM 523 N ASN A 34 -13.127 1.649 0.957 1.00 0.00 N ATOM 524 CA ASN A 34 -14.230 2.334 0.221 1.00 0.00 C ATOM 525 C ASN A 34 -15.583 1.821 0.722 1.00 0.00 C ATOM 526 O ASN A 34 -16.248 2.469 1.505 1.00 0.00 O ATOM 527 CB ASN A 34 -14.105 2.069 -1.280 1.00 0.00 C ATOM 528 CG ASN A 34 -15.157 2.893 -2.025 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.664 3.864 -1.501 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.508 2.546 -3.232 1.00 0.00 N ATOM 0 H ASN A 34 -13.002 0.660 0.739 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.160 3.407 0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.106 2.334 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.243 1.008 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.208 3.090 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.082 1.730 -3.672 1.00 0.00 H new ATOM 537 N LYS A 35 -16.001 0.665 0.279 1.00 0.00 N ATOM 538 CA LYS A 35 -17.314 0.130 0.739 1.00 0.00 C ATOM 539 C LYS A 35 -17.290 -1.398 0.715 1.00 0.00 C ATOM 540 O LYS A 35 -18.285 -2.041 0.445 1.00 0.00 O ATOM 541 CB LYS A 35 -18.424 0.640 -0.182 1.00 0.00 C ATOM 542 CG LYS A 35 -19.776 0.505 0.522 1.00 0.00 C ATOM 543 CD LYS A 35 -20.376 1.894 0.749 1.00 0.00 C ATOM 544 CE LYS A 35 -21.830 1.756 1.206 1.00 0.00 C ATOM 545 NZ LYS A 35 -22.470 3.101 1.242 1.00 0.00 N ATOM 0 H LYS A 35 -15.493 0.072 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.502 0.468 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.242 1.682 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.428 0.072 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.453 -0.101 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.652 -0.009 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.798 2.433 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.327 2.477 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.375 1.100 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.870 1.296 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.458 3.007 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.955 3.713 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.444 3.523 0.292 1.00 0.00 H new ATOM 559 N VAL A 36 -16.164 -1.985 1.009 1.00 0.00 N ATOM 560 CA VAL A 36 -16.078 -3.474 1.019 1.00 0.00 C ATOM 561 C VAL A 36 -14.919 -3.918 1.922 1.00 0.00 C ATOM 562 O VAL A 36 -14.034 -4.625 1.484 1.00 0.00 O ATOM 563 CB VAL A 36 -15.843 -3.991 -0.404 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.490 -5.368 -0.557 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.466 -3.024 -1.416 1.00 0.00 C ATOM 0 H VAL A 36 -15.298 -1.499 1.243 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.014 -3.883 1.401 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.771 -4.065 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.324 -5.738 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.047 -6.060 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.561 -5.289 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.296 -3.396 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.538 -2.946 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.008 -2.041 -1.309 1.00 0.00 H new ATOM 575 N PRO A 37 -14.961 -3.488 3.160 1.00 0.00 N ATOM 576 CA PRO A 37 -13.925 -3.826 4.158 1.00 0.00 C ATOM 577 C PRO A 37 -14.138 -5.244 4.700 1.00 0.00 C ATOM 578 O PRO A 37 -15.116 -5.887 4.374 1.00 0.00 O ATOM 579 CB PRO A 37 -14.155 -2.796 5.268 1.00 0.00 C ATOM 580 CG PRO A 37 -15.617 -2.316 5.128 1.00 0.00 C ATOM 581 CD PRO A 37 -16.043 -2.625 3.683 1.00 0.00 C ATOM 0 HA PRO A 37 -12.916 -3.802 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.985 -3.239 6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.462 -1.960 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.263 -2.828 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.696 -1.249 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.007 -3.133 3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.144 -1.713 3.094 1.00 0.00 H new ATOM 589 N PRO A 38 -13.229 -5.676 5.541 1.00 0.00 N ATOM 590 CA PRO A 38 -12.041 -4.895 5.936 1.00 0.00 C ATOM 591 C PRO A 38 -10.904 -5.109 4.934 1.00 0.00 C ATOM 592 O PRO A 38 -10.906 -6.058 4.176 1.00 0.00 O ATOM 593 CB PRO A 38 -11.665 -5.494 7.292 1.00 0.00 C ATOM 594 CG PRO A 38 -12.258 -6.925 7.318 1.00 0.00 C ATOM 595 CD PRO A 38 -13.328 -6.985 6.210 1.00 0.00 C ATOM 0 HA PRO A 38 -12.227 -3.822 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.583 -5.520 7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.067 -4.892 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.480 -7.669 7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.697 -7.144 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.137 -7.803 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.323 -7.146 6.625 1.00 0.00 H new ATOM 603 N HIS A 39 -9.929 -4.241 4.930 1.00 0.00 N ATOM 604 CA HIS A 39 -8.793 -4.404 3.978 1.00 0.00 C ATOM 605 C HIS A 39 -7.470 -4.490 4.743 1.00 0.00 C ATOM 606 O HIS A 39 -7.249 -3.785 5.704 1.00 0.00 O ATOM 607 CB HIS A 39 -8.737 -3.206 3.023 1.00 0.00 C ATOM 608 CG HIS A 39 -9.944 -3.210 2.131 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.894 -3.692 0.827 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.240 -2.811 2.342 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.136 -3.570 0.314 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.982 -3.048 1.198 1.00 0.00 N ATOM 0 H HIS A 39 -9.870 -3.428 5.543 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.946 -5.322 3.411 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.697 -2.277 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.829 -3.251 2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.621 -2.380 3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.409 -3.860 -0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.975 -2.861 1.061 1.00 0.00 H new ATOM 620 N ASN A 40 -6.580 -5.339 4.307 1.00 0.00 N ATOM 621 CA ASN A 40 -5.261 -5.454 4.991 1.00 0.00 C ATOM 622 C ASN A 40 -4.169 -5.004 4.019 1.00 0.00 C ATOM 623 O ASN A 40 -4.171 -5.368 2.860 1.00 0.00 O ATOM 624 CB ASN A 40 -5.014 -6.905 5.408 1.00 0.00 C ATOM 625 CG ASN A 40 -5.243 -7.048 6.914 1.00 0.00 C ATOM 626 OD1 ASN A 40 -6.224 -6.562 7.441 1.00 0.00 O ATOM 627 ND2 ASN A 40 -4.372 -7.699 7.634 1.00 0.00 N ATOM 0 H ASN A 40 -6.709 -5.958 3.507 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.250 -4.828 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.683 -7.570 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.996 -7.199 5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.515 -7.800 8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.548 -8.107 7.192 1.00 0.00 H new ATOM 634 N VAL A 41 -3.245 -4.202 4.472 1.00 0.00 N ATOM 635 CA VAL A 41 -2.169 -3.720 3.560 1.00 0.00 C ATOM 636 C VAL A 41 -0.885 -4.524 3.792 1.00 0.00 C ATOM 637 O VAL A 41 -0.482 -4.763 4.913 1.00 0.00 O ATOM 638 CB VAL A 41 -1.911 -2.235 3.833 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.592 -1.809 3.188 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.053 -1.407 3.241 1.00 0.00 C ATOM 0 H VAL A 41 -3.188 -3.860 5.431 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.482 -3.854 2.524 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.854 -2.072 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.415 -0.752 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.224 -2.398 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.644 -1.973 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.873 -0.349 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.106 -1.577 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.995 -1.704 3.702 1.00 0.00 H new ATOM 650 N VAL A 42 -0.240 -4.941 2.733 1.00 0.00 N ATOM 651 CA VAL A 42 1.018 -5.728 2.883 1.00 0.00 C ATOM 652 C VAL A 42 1.941 -5.448 1.692 1.00 0.00 C ATOM 653 O VAL A 42 1.554 -4.812 0.733 1.00 0.00 O ATOM 654 CB VAL A 42 0.679 -7.220 2.927 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.832 -7.991 3.574 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.597 -7.423 3.747 1.00 0.00 C ATOM 0 H VAL A 42 -0.531 -4.770 1.771 1.00 0.00 H new ATOM 0 HA VAL A 42 1.521 -5.441 3.806 1.00 0.00 H new ATOM 0 HB VAL A 42 0.525 -7.589 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.588 -9.053 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.741 -7.844 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.989 -7.626 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.843 -8.484 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.441 -7.054 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.418 -6.875 3.284 1.00 0.00 H new ATOM 666 N PHE A 43 3.161 -5.915 1.746 1.00 0.00 N ATOM 667 CA PHE A 43 4.103 -5.668 0.616 1.00 0.00 C ATOM 668 C PHE A 43 4.919 -6.931 0.341 1.00 0.00 C ATOM 669 O PHE A 43 5.701 -7.368 1.161 1.00 0.00 O ATOM 670 CB PHE A 43 5.054 -4.524 0.981 1.00 0.00 C ATOM 671 CG PHE A 43 4.274 -3.392 1.600 1.00 0.00 C ATOM 672 CD1 PHE A 43 3.674 -3.560 2.854 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.154 -2.173 0.924 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.954 -2.510 3.430 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.433 -1.122 1.502 1.00 0.00 C ATOM 676 CZ PHE A 43 2.834 -1.292 2.756 1.00 0.00 C ATOM 0 H PHE A 43 3.544 -6.455 2.522 1.00 0.00 H new ATOM 0 HA PHE A 43 3.533 -5.401 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.814 -4.878 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.576 -4.174 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.768 -4.501 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.617 -2.043 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.490 -2.640 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.339 -0.181 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.279 -0.481 3.203 1.00 0.00 H new ATOM 686 N ASP A 44 4.750 -7.519 -0.812 1.00 0.00 N ATOM 687 CA ASP A 44 5.524 -8.750 -1.140 1.00 0.00 C ATOM 688 C ASP A 44 6.998 -8.521 -0.800 1.00 0.00 C ATOM 689 O ASP A 44 7.524 -7.441 -0.979 1.00 0.00 O ATOM 690 CB ASP A 44 5.384 -9.056 -2.633 1.00 0.00 C ATOM 691 CG ASP A 44 5.671 -10.538 -2.881 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.183 -11.181 -1.980 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.374 -11.004 -3.968 1.00 0.00 O ATOM 0 H ASP A 44 4.110 -7.201 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 44 5.141 -9.591 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.379 -8.808 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.076 -8.440 -3.207 1.00 0.00 H new ATOM 698 N ALA A 45 7.668 -9.525 -0.305 1.00 0.00 N ATOM 699 CA ALA A 45 9.103 -9.359 0.050 1.00 0.00 C ATOM 700 C ALA A 45 9.982 -9.965 -1.046 1.00 0.00 C ATOM 701 O ALA A 45 11.136 -10.273 -0.827 1.00 0.00 O ATOM 702 CB ALA A 45 9.385 -10.066 1.376 1.00 0.00 C ATOM 0 H ALA A 45 7.282 -10.453 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 45 9.328 -8.297 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.436 -9.945 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.764 -9.631 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.155 -11.127 1.279 1.00 0.00 H new ATOM 708 N ALA A 46 9.447 -10.141 -2.223 1.00 0.00 N ATOM 709 CA ALA A 46 10.258 -10.730 -3.325 1.00 0.00 C ATOM 710 C ALA A 46 10.586 -9.647 -4.355 1.00 0.00 C ATOM 711 O ALA A 46 11.680 -9.587 -4.881 1.00 0.00 O ATOM 712 CB ALA A 46 9.463 -11.849 -4.000 1.00 0.00 C ATOM 0 H ALA A 46 8.486 -9.903 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 46 11.184 -11.135 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.056 -12.281 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.229 -12.622 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.537 -11.443 -4.407 1.00 0.00 H new ATOM 718 N LEU A 47 9.646 -8.792 -4.650 1.00 0.00 N ATOM 719 CA LEU A 47 9.905 -7.718 -5.649 1.00 0.00 C ATOM 720 C LEU A 47 10.520 -6.504 -4.950 1.00 0.00 C ATOM 721 O LEU A 47 10.015 -5.403 -5.037 1.00 0.00 O ATOM 722 CB LEU A 47 8.588 -7.314 -6.313 1.00 0.00 C ATOM 723 CG LEU A 47 8.207 -8.356 -7.365 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.958 -9.703 -6.684 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.933 -7.908 -8.084 1.00 0.00 C ATOM 0 H LEU A 47 8.711 -8.791 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 47 10.597 -8.086 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.800 -7.233 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.688 -6.333 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 47 9.018 -8.458 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.686 -10.445 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.863 -10.023 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.146 -9.602 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.659 -8.649 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.123 -7.807 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.108 -6.948 -8.569 1.00 0.00 H new ATOM 737 N ASN A 48 11.611 -6.697 -4.263 1.00 0.00 N ATOM 738 CA ASN A 48 12.264 -5.553 -3.563 1.00 0.00 C ATOM 739 C ASN A 48 13.482 -5.090 -4.368 1.00 0.00 C ATOM 740 O ASN A 48 13.932 -5.782 -5.260 1.00 0.00 O ATOM 741 CB ASN A 48 12.703 -5.981 -2.156 1.00 0.00 C ATOM 742 CG ASN A 48 13.020 -7.477 -2.137 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.258 -8.074 -3.168 1.00 0.00 O ATOM 744 ND2 ASN A 48 13.034 -8.113 -0.998 1.00 0.00 N ATOM 0 H ASN A 48 12.080 -7.597 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 48 11.553 -4.731 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.581 -5.411 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.914 -5.759 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.245 -9.111 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.834 -7.613 -0.132 1.00 0.00 H new ATOM 751 N PRO A 49 13.975 -3.924 -4.031 1.00 0.00 N ATOM 752 CA PRO A 49 15.139 -3.326 -4.711 1.00 0.00 C ATOM 753 C PRO A 49 16.442 -3.973 -4.230 1.00 0.00 C ATOM 754 O PRO A 49 17.390 -4.108 -4.979 1.00 0.00 O ATOM 755 CB PRO A 49 15.075 -1.852 -4.302 1.00 0.00 C ATOM 756 CG PRO A 49 14.247 -1.795 -2.996 1.00 0.00 C ATOM 757 CD PRO A 49 13.418 -3.092 -2.943 1.00 0.00 C ATOM 0 HA PRO A 49 15.119 -3.466 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.076 -1.449 -4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.609 -1.252 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.900 -1.717 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.598 -0.920 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.513 -3.586 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.357 -2.893 -3.097 1.00 0.00 H new ATOM 765 N ALA A 50 16.502 -4.374 -2.990 1.00 0.00 N ATOM 766 CA ALA A 50 17.750 -5.008 -2.479 1.00 0.00 C ATOM 767 C ALA A 50 17.430 -6.386 -1.905 1.00 0.00 C ATOM 768 O ALA A 50 18.081 -6.856 -0.993 1.00 0.00 O ATOM 769 CB ALA A 50 18.365 -4.129 -1.389 1.00 0.00 C ATOM 0 H ALA A 50 15.745 -4.291 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 50 18.460 -5.115 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 50 19.277 -4.595 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.601 -3.148 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.655 -4.016 -0.569 1.00 0.00 H new ATOM 775 N LYS A 51 16.437 -7.036 -2.444 1.00 0.00 N ATOM 776 CA LYS A 51 16.062 -8.393 -1.948 1.00 0.00 C ATOM 777 C LYS A 51 16.175 -8.438 -0.422 1.00 0.00 C ATOM 778 O LYS A 51 16.482 -9.462 0.156 1.00 0.00 O ATOM 779 CB LYS A 51 16.999 -9.436 -2.560 1.00 0.00 C ATOM 780 CG LYS A 51 17.405 -8.996 -3.967 1.00 0.00 C ATOM 781 CD LYS A 51 16.174 -8.986 -4.876 1.00 0.00 C ATOM 782 CE LYS A 51 16.493 -8.217 -6.160 1.00 0.00 C ATOM 783 NZ LYS A 51 16.005 -6.815 -6.035 1.00 0.00 N ATOM 0 H LYS A 51 15.864 -6.685 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 51 15.034 -8.610 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.884 -9.556 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.504 -10.406 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.853 -8.003 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.160 -9.673 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.877 -10.007 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.333 -8.522 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.567 -8.224 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.021 -8.703 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.890 -6.402 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.090 -6.809 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.694 -6.254 -5.494 1.00 0.00 H new ATOM 797 N SER A 52 15.934 -7.336 0.234 1.00 0.00 N ATOM 798 CA SER A 52 16.034 -7.318 1.721 1.00 0.00 C ATOM 799 C SER A 52 14.632 -7.386 2.333 1.00 0.00 C ATOM 800 O SER A 52 13.774 -6.579 2.035 1.00 0.00 O ATOM 801 CB SER A 52 16.724 -6.029 2.169 1.00 0.00 C ATOM 802 OG SER A 52 18.113 -6.114 1.878 1.00 0.00 O ATOM 0 H SER A 52 15.672 -6.448 -0.195 1.00 0.00 H new ATOM 0 HA SER A 52 16.615 -8.178 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.286 -5.172 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.573 -5.875 3.237 1.00 0.00 H new ATOM 0 HG SER A 52 18.236 -6.360 0.937 1.00 0.00 H new ATOM 808 N ALA A 53 14.397 -8.342 3.191 1.00 0.00 N ATOM 809 CA ALA A 53 13.054 -8.462 3.828 1.00 0.00 C ATOM 810 C ALA A 53 13.105 -7.865 5.236 1.00 0.00 C ATOM 811 O ALA A 53 13.520 -8.509 6.178 1.00 0.00 O ATOM 812 CB ALA A 53 12.659 -9.938 3.916 1.00 0.00 C ATOM 0 H ALA A 53 15.077 -9.045 3.478 1.00 0.00 H new ATOM 0 HA ALA A 53 12.319 -7.925 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.677 -10.025 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.624 -10.366 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.394 -10.476 4.515 1.00 0.00 H new ATOM 818 N ASP A 54 12.686 -6.639 5.386 1.00 0.00 N ATOM 819 CA ASP A 54 12.711 -6.004 6.731 1.00 0.00 C ATOM 820 C ASP A 54 11.815 -4.765 6.728 1.00 0.00 C ATOM 821 O ASP A 54 11.028 -4.555 7.630 1.00 0.00 O ATOM 822 CB ASP A 54 14.144 -5.594 7.077 1.00 0.00 C ATOM 823 CG ASP A 54 14.613 -4.512 6.103 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.892 -4.849 4.964 1.00 0.00 O ATOM 825 OD2 ASP A 54 14.684 -3.365 6.512 1.00 0.00 O ATOM 0 H ASP A 54 12.327 -6.050 4.634 1.00 0.00 H new ATOM 0 HA ASP A 54 12.347 -6.715 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.190 -5.222 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.805 -6.459 7.022 1.00 0.00 H new ATOM 830 N LEU A 55 11.928 -3.941 5.722 1.00 0.00 N ATOM 831 CA LEU A 55 11.082 -2.716 5.667 1.00 0.00 C ATOM 832 C LEU A 55 9.621 -3.117 5.444 1.00 0.00 C ATOM 833 O LEU A 55 8.715 -2.333 5.643 1.00 0.00 O ATOM 834 CB LEU A 55 11.565 -1.810 4.523 1.00 0.00 C ATOM 835 CG LEU A 55 10.984 -2.286 3.187 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.814 -1.385 2.791 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.064 -2.215 2.106 1.00 0.00 C ATOM 0 H LEU A 55 12.568 -4.063 4.938 1.00 0.00 H new ATOM 0 HA LEU A 55 11.161 -2.171 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.262 -0.780 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.654 -1.819 4.478 1.00 0.00 H new ATOM 0 HG LEU A 55 10.637 -3.314 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.400 -1.723 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.043 -1.431 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.164 -0.358 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.651 -2.554 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.411 -1.187 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.901 -2.854 2.386 1.00 0.00 H new ATOM 849 N ALA A 56 9.386 -4.333 5.029 1.00 0.00 N ATOM 850 CA ALA A 56 7.986 -4.783 4.792 1.00 0.00 C ATOM 851 C ALA A 56 7.357 -5.225 6.115 1.00 0.00 C ATOM 852 O ALA A 56 6.273 -4.807 6.469 1.00 0.00 O ATOM 853 CB ALA A 56 7.985 -5.956 3.810 1.00 0.00 C ATOM 0 H ALA A 56 10.104 -5.034 4.844 1.00 0.00 H new ATOM 0 HA ALA A 56 7.408 -3.959 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.960 -6.285 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.429 -5.641 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.565 -6.780 4.226 1.00 0.00 H new ATOM 859 N LYS A 57 8.028 -6.072 6.848 1.00 0.00 N ATOM 860 CA LYS A 57 7.465 -6.542 8.145 1.00 0.00 C ATOM 861 C LYS A 57 6.951 -5.345 8.949 1.00 0.00 C ATOM 862 O LYS A 57 6.099 -5.483 9.805 1.00 0.00 O ATOM 863 CB LYS A 57 8.555 -7.262 8.944 1.00 0.00 C ATOM 864 CG LYS A 57 8.336 -8.776 8.861 1.00 0.00 C ATOM 865 CD LYS A 57 8.469 -9.392 10.256 1.00 0.00 C ATOM 866 CE LYS A 57 9.894 -9.912 10.453 1.00 0.00 C ATOM 867 NZ LYS A 57 9.848 -11.352 10.832 1.00 0.00 N ATOM 0 H LYS A 57 8.940 -6.458 6.605 1.00 0.00 H new ATOM 0 HA LYS A 57 6.640 -7.228 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.539 -7.004 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.532 -6.937 9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.349 -8.989 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.065 -9.222 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.234 -8.648 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.754 -10.206 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.469 -9.784 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.399 -9.336 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.816 -11.707 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.313 -11.461 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.382 -11.895 10.077 1.00 0.00 H new ATOM 881 N SER A 58 7.460 -4.171 8.688 1.00 0.00 N ATOM 882 CA SER A 58 6.994 -2.975 9.446 1.00 0.00 C ATOM 883 C SER A 58 6.112 -2.100 8.549 1.00 0.00 C ATOM 884 O SER A 58 5.568 -1.103 8.983 1.00 0.00 O ATOM 885 CB SER A 58 8.204 -2.166 9.917 1.00 0.00 C ATOM 886 OG SER A 58 7.764 -1.125 10.779 1.00 0.00 O ATOM 0 H SER A 58 8.176 -3.989 7.985 1.00 0.00 H new ATOM 0 HA SER A 58 6.414 -3.302 10.309 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.908 -2.813 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.732 -1.746 9.060 1.00 0.00 H new ATOM 0 HG SER A 58 6.917 -0.761 10.446 1.00 0.00 H new ATOM 892 N LEU A 59 5.962 -2.462 7.303 1.00 0.00 N ATOM 893 CA LEU A 59 5.112 -1.646 6.386 1.00 0.00 C ATOM 894 C LEU A 59 3.703 -2.252 6.358 1.00 0.00 C ATOM 895 O LEU A 59 2.713 -1.551 6.291 1.00 0.00 O ATOM 896 CB LEU A 59 5.712 -1.685 4.971 1.00 0.00 C ATOM 897 CG LEU A 59 5.465 -0.369 4.202 1.00 0.00 C ATOM 898 CD1 LEU A 59 4.242 0.380 4.742 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.700 0.525 4.333 1.00 0.00 C ATOM 0 H LEU A 59 6.390 -3.286 6.880 1.00 0.00 H new ATOM 0 HA LEU A 59 5.068 -0.613 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.784 -1.871 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.278 -2.516 4.416 1.00 0.00 H new ATOM 0 HG LEU A 59 5.276 -0.615 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.100 1.301 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.357 -0.248 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.398 0.621 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.534 1.457 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.881 0.743 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.566 0.012 3.915 1.00 0.00 H new ATOM 911 N SER A 60 3.608 -3.556 6.404 1.00 0.00 N ATOM 912 CA SER A 60 2.268 -4.213 6.370 1.00 0.00 C ATOM 913 C SER A 60 1.607 -4.146 7.747 1.00 0.00 C ATOM 914 O SER A 60 2.208 -4.461 8.754 1.00 0.00 O ATOM 915 CB SER A 60 2.430 -5.681 5.974 1.00 0.00 C ATOM 916 OG SER A 60 3.451 -5.797 4.994 1.00 0.00 O ATOM 0 H SER A 60 4.401 -4.194 6.464 1.00 0.00 H new ATOM 0 HA SER A 60 1.644 -3.693 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.682 -6.279 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.490 -6.069 5.583 1.00 0.00 H new ATOM 0 HG SER A 60 3.888 -6.670 5.079 1.00 0.00 H new ATOM 922 N HIS A 61 0.362 -3.758 7.790 1.00 0.00 N ATOM 923 CA HIS A 61 -0.356 -3.689 9.092 1.00 0.00 C ATOM 924 C HIS A 61 -1.399 -4.806 9.130 1.00 0.00 C ATOM 925 O HIS A 61 -2.069 -5.069 8.151 1.00 0.00 O ATOM 926 CB HIS A 61 -1.054 -2.332 9.228 1.00 0.00 C ATOM 927 CG HIS A 61 -2.227 -2.272 8.287 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.383 -3.016 8.496 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.437 -1.562 7.131 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.227 -2.733 7.484 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.698 -1.856 6.631 1.00 0.00 N ATOM 0 H HIS A 61 -0.190 -3.485 6.977 1.00 0.00 H new ATOM 0 HA HIS A 61 0.351 -3.806 9.913 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.390 -2.186 10.254 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.354 -1.527 9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.731 -0.880 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.211 -3.164 7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -4.130 -1.480 5.787 1.00 0.00 H new ATOM 939 N LYS A 62 -1.544 -5.471 10.241 1.00 0.00 N ATOM 940 CA LYS A 62 -2.547 -6.568 10.311 1.00 0.00 C ATOM 941 C LYS A 62 -3.466 -6.363 11.512 1.00 0.00 C ATOM 942 O LYS A 62 -3.035 -6.351 12.647 1.00 0.00 O ATOM 943 CB LYS A 62 -1.837 -7.913 10.450 1.00 0.00 C ATOM 944 CG LYS A 62 -0.514 -7.882 9.682 1.00 0.00 C ATOM 945 CD LYS A 62 0.041 -9.303 9.570 1.00 0.00 C ATOM 946 CE LYS A 62 0.082 -9.722 8.100 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.634 -11.018 7.937 1.00 0.00 N ATOM 0 H LYS A 62 -1.016 -5.304 11.098 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.138 -6.558 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.652 -8.130 11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.472 -8.711 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.667 -7.460 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.202 -7.239 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.042 -9.349 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.582 -9.994 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.382 -8.956 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.115 -9.820 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.608 -11.306 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.172 -11.746 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.623 -10.909 8.240 1.00 0.00 H new ATOM 961 N GLN A 63 -4.735 -6.219 11.264 1.00 0.00 N ATOM 962 CA GLN A 63 -5.700 -6.031 12.386 1.00 0.00 C ATOM 963 C GLN A 63 -7.060 -5.580 11.847 1.00 0.00 C ATOM 964 O GLN A 63 -7.805 -4.914 12.532 1.00 0.00 O ATOM 965 CB GLN A 63 -5.162 -4.978 13.357 1.00 0.00 C ATOM 966 CG GLN A 63 -5.032 -5.589 14.754 1.00 0.00 C ATOM 967 CD GLN A 63 -4.091 -4.732 15.604 1.00 0.00 C ATOM 968 OE1 GLN A 63 -2.890 -4.914 15.573 1.00 0.00 O ATOM 969 NE2 GLN A 63 -4.589 -3.799 16.369 1.00 0.00 N ATOM 0 H GLN A 63 -5.149 -6.223 10.332 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.822 -6.981 12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.192 -4.615 13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.832 -4.119 13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.012 -5.650 15.228 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.648 -6.607 14.683 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.597 -3.645 16.396 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.970 -3.223 16.940 1.00 0.00 H new ATOM 978 N LEU A 64 -7.393 -5.973 10.644 1.00 0.00 N ATOM 979 CA LEU A 64 -8.709 -5.608 10.040 1.00 0.00 C ATOM 980 C LEU A 64 -9.005 -4.109 10.209 1.00 0.00 C ATOM 981 O LEU A 64 -9.044 -3.586 11.302 1.00 0.00 O ATOM 982 CB LEU A 64 -9.791 -6.427 10.730 1.00 0.00 C ATOM 983 CG LEU A 64 -9.744 -7.898 10.277 1.00 0.00 C ATOM 984 CD1 LEU A 64 -11.142 -8.494 10.391 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.279 -8.017 8.820 1.00 0.00 C ATOM 0 H LEU A 64 -6.796 -6.542 10.044 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.685 -5.821 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.660 -6.371 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.770 -6.005 10.505 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.038 -8.431 10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.120 -9.536 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.478 -8.438 11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.829 -7.935 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.256 -9.067 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.969 -7.477 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.280 -7.592 8.721 1.00 0.00 H new ATOM 997 N LEU A 65 -9.245 -3.406 9.134 1.00 0.00 N ATOM 998 CA LEU A 65 -9.554 -1.954 9.277 1.00 0.00 C ATOM 999 C LEU A 65 -11.010 -1.802 9.720 1.00 0.00 C ATOM 1000 O LEU A 65 -11.831 -2.668 9.489 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.361 -1.228 7.942 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.087 -1.714 7.251 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -8.185 -1.396 5.759 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -6.869 -0.998 7.840 1.00 0.00 C ATOM 0 H LEU A 65 -9.241 -3.766 8.180 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.880 -1.518 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.222 -1.404 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.303 -0.153 8.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.977 -2.788 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.282 -1.738 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.052 -1.903 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.292 -0.320 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.965 -1.349 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.971 0.077 7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.802 -1.211 8.907 1.00 0.00 H new ATOM 1016 N MET A 66 -11.336 -0.715 10.359 1.00 0.00 N ATOM 1017 CA MET A 66 -12.738 -0.518 10.820 1.00 0.00 C ATOM 1018 C MET A 66 -13.172 0.921 10.541 1.00 0.00 C ATOM 1019 O MET A 66 -14.212 1.363 10.986 1.00 0.00 O ATOM 1020 CB MET A 66 -12.820 -0.788 12.323 1.00 0.00 C ATOM 1021 CG MET A 66 -12.983 -2.290 12.565 1.00 0.00 C ATOM 1022 SD MET A 66 -13.631 -2.567 14.233 1.00 0.00 S ATOM 1023 CE MET A 66 -12.088 -2.266 15.130 1.00 0.00 C ATOM 0 H MET A 66 -10.694 0.045 10.582 1.00 0.00 H new ATOM 0 HA MET A 66 -13.395 -1.205 10.287 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.919 -0.425 12.818 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.661 -0.246 12.755 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.660 -2.717 11.825 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.024 -2.794 12.448 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.823 -3.153 15.705 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.292 -2.043 14.420 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.219 -1.421 15.806 1.00 0.00 H new ATOM 1033 N SER A 67 -12.383 1.655 9.808 1.00 0.00 N ATOM 1034 CA SER A 67 -12.750 3.066 9.502 1.00 0.00 C ATOM 1035 C SER A 67 -13.107 3.188 8.015 1.00 0.00 C ATOM 1036 O SER A 67 -12.357 2.749 7.167 1.00 0.00 O ATOM 1037 CB SER A 67 -11.563 3.978 9.813 1.00 0.00 C ATOM 1038 OG SER A 67 -12.040 5.286 10.105 1.00 0.00 O ATOM 0 H SER A 67 -11.500 1.339 9.407 1.00 0.00 H new ATOM 0 HA SER A 67 -13.606 3.360 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.000 3.586 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.880 4.008 8.964 1.00 0.00 H new ATOM 0 HG SER A 67 -11.282 5.873 10.307 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.242 3.781 7.740 1.00 0.00 N ATOM 1045 CA PRO A 68 -14.718 3.971 6.359 1.00 0.00 C ATOM 1046 C PRO A 68 -14.006 5.161 5.706 1.00 0.00 C ATOM 1047 O PRO A 68 -14.430 6.293 5.831 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.211 4.258 6.531 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.393 4.777 7.978 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.157 4.313 8.771 1.00 0.00 C ATOM 0 HA PRO A 68 -14.524 3.112 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.550 4.999 5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.801 3.357 6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.477 5.864 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.308 4.381 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.703 5.139 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.418 3.550 9.504 1.00 0.00 H new ATOM 1058 N GLY A 69 -12.929 4.915 5.008 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.201 6.038 4.350 1.00 0.00 C ATOM 1060 C GLY A 69 -10.817 6.197 4.983 1.00 0.00 C ATOM 1061 O GLY A 69 -10.051 7.064 4.612 1.00 0.00 O ATOM 0 H GLY A 69 -12.524 3.990 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.103 5.844 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.768 6.963 4.455 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.491 5.366 5.935 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.156 5.461 6.591 1.00 0.00 C ATOM 1067 C GLN A 70 -8.672 4.051 6.928 1.00 0.00 C ATOM 1068 O GLN A 70 -9.242 3.375 7.762 1.00 0.00 O ATOM 1069 CB GLN A 70 -9.268 6.279 7.881 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.775 7.687 7.559 1.00 0.00 C ATOM 1071 CD GLN A 70 -8.614 8.550 7.062 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -7.541 8.047 6.790 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.782 9.838 6.929 1.00 0.00 N ATOM 0 H GLN A 70 -11.094 4.623 6.288 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.451 5.950 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.949 5.788 8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.297 6.336 8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.556 7.638 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.221 8.136 8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.682 10.261 7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.014 10.421 6.597 1.00 0.00 H new ATOM 1082 N SER A 71 -7.631 3.593 6.289 1.00 0.00 N ATOM 1083 CA SER A 71 -7.135 2.220 6.585 1.00 0.00 C ATOM 1084 C SER A 71 -5.931 2.299 7.529 1.00 0.00 C ATOM 1085 O SER A 71 -6.055 2.099 8.721 1.00 0.00 O ATOM 1086 CB SER A 71 -6.740 1.515 5.283 1.00 0.00 C ATOM 1087 OG SER A 71 -5.503 2.028 4.810 1.00 0.00 O ATOM 0 H SER A 71 -7.106 4.105 5.580 1.00 0.00 H new ATOM 0 HA SER A 71 -7.928 1.648 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.657 0.441 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.515 1.661 4.531 1.00 0.00 H new ATOM 0 HG SER A 71 -5.497 3.004 4.902 1.00 0.00 H new ATOM 1093 N THR A 72 -4.767 2.584 7.011 1.00 0.00 N ATOM 1094 CA THR A 72 -3.564 2.668 7.885 1.00 0.00 C ATOM 1095 C THR A 72 -2.471 3.468 7.173 1.00 0.00 C ATOM 1096 O THR A 72 -1.860 3.001 6.232 1.00 0.00 O ATOM 1097 CB THR A 72 -3.059 1.253 8.183 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.909 0.642 9.143 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.630 1.310 8.728 1.00 0.00 C ATOM 0 H THR A 72 -4.598 2.762 6.021 1.00 0.00 H new ATOM 0 HA THR A 72 -3.821 3.166 8.820 1.00 0.00 H new ATOM 0 HB THR A 72 -3.065 0.669 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.630 1.261 9.382 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.280 0.299 8.937 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.977 1.775 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.614 1.897 9.647 1.00 0.00 H new ATOM 1107 N SER A 73 -2.215 4.669 7.617 1.00 0.00 N ATOM 1108 CA SER A 73 -1.156 5.493 6.969 1.00 0.00 C ATOM 1109 C SER A 73 0.211 5.049 7.486 1.00 0.00 C ATOM 1110 O SER A 73 0.817 5.702 8.312 1.00 0.00 O ATOM 1111 CB SER A 73 -1.373 6.968 7.305 1.00 0.00 C ATOM 1112 OG SER A 73 -2.753 7.281 7.182 1.00 0.00 O ATOM 0 H SER A 73 -2.693 5.114 8.400 1.00 0.00 H new ATOM 0 HA SER A 73 -1.202 5.361 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.030 7.176 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.785 7.595 6.635 1.00 0.00 H new ATOM 0 HG SER A 73 -2.950 8.097 7.687 1.00 0.00 H new ATOM 1118 N THR A 74 0.696 3.938 7.010 1.00 0.00 N ATOM 1119 CA THR A 74 2.019 3.440 7.475 1.00 0.00 C ATOM 1120 C THR A 74 3.109 4.461 7.146 1.00 0.00 C ATOM 1121 O THR A 74 3.291 4.848 6.008 1.00 0.00 O ATOM 1122 CB THR A 74 2.334 2.119 6.775 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.125 1.413 6.536 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.254 1.277 7.660 1.00 0.00 C ATOM 0 H THR A 74 0.232 3.351 6.317 1.00 0.00 H new ATOM 0 HA THR A 74 1.986 3.289 8.554 1.00 0.00 H new ATOM 0 HB THR A 74 2.832 2.319 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.324 0.566 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.478 0.335 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.181 1.821 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.760 1.075 8.610 1.00 0.00 H new ATOM 1132 N THR A 75 3.842 4.892 8.136 1.00 0.00 N ATOM 1133 CA THR A 75 4.930 5.877 7.888 1.00 0.00 C ATOM 1134 C THR A 75 6.178 5.131 7.414 1.00 0.00 C ATOM 1135 O THR A 75 7.003 4.717 8.203 1.00 0.00 O ATOM 1136 CB THR A 75 5.243 6.628 9.185 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.374 7.465 8.987 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.539 5.623 10.298 1.00 0.00 C ATOM 0 H THR A 75 3.733 4.603 9.108 1.00 0.00 H new ATOM 0 HA THR A 75 4.617 6.591 7.126 1.00 0.00 H new ATOM 0 HB THR A 75 4.385 7.239 9.467 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.574 7.947 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.762 6.158 11.221 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.670 4.982 10.450 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.396 5.011 10.017 1.00 0.00 H new ATOM 1146 N PHE A 76 6.315 4.952 6.128 1.00 0.00 N ATOM 1147 CA PHE A 76 7.503 4.227 5.590 1.00 0.00 C ATOM 1148 C PHE A 76 8.763 4.666 6.347 1.00 0.00 C ATOM 1149 O PHE A 76 8.796 5.735 6.925 1.00 0.00 O ATOM 1150 CB PHE A 76 7.658 4.551 4.103 1.00 0.00 C ATOM 1151 CG PHE A 76 6.752 3.657 3.288 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.368 3.872 3.291 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.297 2.617 2.524 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.531 3.047 2.530 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.459 1.792 1.765 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.076 2.007 1.768 1.00 0.00 C ATOM 0 H PHE A 76 5.653 5.278 5.424 1.00 0.00 H new ATOM 0 HA PHE A 76 7.365 3.153 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.411 5.597 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.695 4.410 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.947 4.673 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.364 2.452 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.464 3.213 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.880 0.990 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.429 1.370 1.182 1.00 0.00 H new ATOM 1166 N PRO A 77 9.763 3.819 6.324 1.00 0.00 N ATOM 1167 CA PRO A 77 11.047 4.078 7.006 1.00 0.00 C ATOM 1168 C PRO A 77 11.914 5.046 6.196 1.00 0.00 C ATOM 1169 O PRO A 77 11.714 5.236 5.015 1.00 0.00 O ATOM 1170 CB PRO A 77 11.702 2.698 7.075 1.00 0.00 C ATOM 1171 CG PRO A 77 11.047 1.847 5.960 1.00 0.00 C ATOM 1172 CD PRO A 77 9.706 2.523 5.619 1.00 0.00 C ATOM 0 HA PRO A 77 10.918 4.539 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.779 2.771 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.546 2.243 8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.690 1.798 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.890 0.822 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.591 2.660 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.861 1.923 5.956 1.00 0.00 H new ATOM 1180 N ALA A 78 12.883 5.655 6.825 1.00 0.00 N ATOM 1181 CA ALA A 78 13.767 6.611 6.096 1.00 0.00 C ATOM 1182 C ALA A 78 14.783 5.842 5.246 1.00 0.00 C ATOM 1183 O ALA A 78 15.664 6.424 4.645 1.00 0.00 O ATOM 1184 CB ALA A 78 14.513 7.486 7.105 1.00 0.00 C ATOM 0 H ALA A 78 13.101 5.532 7.814 1.00 0.00 H new ATOM 0 HA ALA A 78 13.155 7.236 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.159 8.185 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.794 8.042 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.119 6.855 7.756 1.00 0.00 H new ATOM 1190 N ASP A 79 14.674 4.542 5.187 1.00 0.00 N ATOM 1191 CA ASP A 79 15.644 3.756 4.371 1.00 0.00 C ATOM 1192 C ASP A 79 15.009 3.394 3.025 1.00 0.00 C ATOM 1193 O ASP A 79 15.676 2.927 2.124 1.00 0.00 O ATOM 1194 CB ASP A 79 16.034 2.478 5.126 1.00 0.00 C ATOM 1195 CG ASP A 79 14.925 1.430 4.991 1.00 0.00 C ATOM 1196 OD1 ASP A 79 13.952 1.527 5.720 1.00 0.00 O ATOM 1197 OD2 ASP A 79 15.069 0.548 4.161 1.00 0.00 O ATOM 0 H ASP A 79 13.960 3.993 5.665 1.00 0.00 H new ATOM 0 HA ASP A 79 16.538 4.354 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.969 2.083 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.205 2.705 6.178 1.00 0.00 H new ATOM 1202 N ALA A 80 13.726 3.604 2.887 1.00 0.00 N ATOM 1203 CA ALA A 80 13.040 3.272 1.602 1.00 0.00 C ATOM 1204 C ALA A 80 13.930 3.671 0.419 1.00 0.00 C ATOM 1205 O ALA A 80 13.991 4.829 0.057 1.00 0.00 O ATOM 1206 CB ALA A 80 11.719 4.040 1.521 1.00 0.00 C ATOM 0 H ALA A 80 13.121 3.992 3.611 1.00 0.00 H new ATOM 0 HA ALA A 80 12.848 2.200 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.216 3.800 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.082 3.757 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.918 5.111 1.562 1.00 0.00 H new ATOM 1212 N PRO A 81 14.598 2.697 -0.149 1.00 0.00 N ATOM 1213 CA PRO A 81 15.497 2.917 -1.295 1.00 0.00 C ATOM 1214 C PRO A 81 14.690 3.055 -2.589 1.00 0.00 C ATOM 1215 O PRO A 81 13.475 3.047 -2.579 1.00 0.00 O ATOM 1216 CB PRO A 81 16.359 1.653 -1.325 1.00 0.00 C ATOM 1217 CG PRO A 81 15.552 0.558 -0.587 1.00 0.00 C ATOM 1218 CD PRO A 81 14.521 1.289 0.294 1.00 0.00 C ATOM 0 HA PRO A 81 16.088 3.828 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.573 1.353 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.318 1.825 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.055 -0.102 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.209 -0.064 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.519 0.882 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.761 1.191 1.353 1.00 0.00 H new ATOM 1226 N ALA A 82 15.356 3.177 -3.704 1.00 0.00 N ATOM 1227 CA ALA A 82 14.628 3.311 -4.997 1.00 0.00 C ATOM 1228 C ALA A 82 14.163 1.931 -5.462 1.00 0.00 C ATOM 1229 O ALA A 82 14.951 1.021 -5.621 1.00 0.00 O ATOM 1230 CB ALA A 82 15.562 3.913 -6.048 1.00 0.00 C ATOM 0 H ALA A 82 16.373 3.190 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 82 13.764 3.962 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.030 4.011 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.897 4.896 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.425 3.262 -6.183 1.00 0.00 H new ATOM 1236 N GLY A 83 12.888 1.768 -5.682 1.00 0.00 N ATOM 1237 CA GLY A 83 12.375 0.445 -6.137 1.00 0.00 C ATOM 1238 C GLY A 83 10.849 0.433 -6.061 1.00 0.00 C ATOM 1239 O GLY A 83 10.254 1.074 -5.217 1.00 0.00 O ATOM 0 H GLY A 83 12.180 2.493 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.700 0.250 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.786 -0.350 -5.514 1.00 0.00 H new ATOM 1243 N GLU A 84 10.210 -0.289 -6.939 1.00 0.00 N ATOM 1244 CA GLU A 84 8.722 -0.343 -6.924 1.00 0.00 C ATOM 1245 C GLU A 84 8.251 -1.326 -5.850 1.00 0.00 C ATOM 1246 O GLU A 84 8.434 -2.521 -5.967 1.00 0.00 O ATOM 1247 CB GLU A 84 8.218 -0.811 -8.290 1.00 0.00 C ATOM 1248 CG GLU A 84 8.763 -2.211 -8.579 1.00 0.00 C ATOM 1249 CD GLU A 84 8.883 -2.411 -10.091 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.540 -1.495 -10.819 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.315 -3.479 -10.494 1.00 0.00 O ATOM 0 H GLU A 84 10.656 -0.846 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 84 8.328 0.649 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.128 -0.823 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.539 -0.116 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.737 -2.338 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.101 -2.965 -8.153 1.00 0.00 H new ATOM 1258 N TYR A 85 7.637 -0.835 -4.809 1.00 0.00 N ATOM 1259 CA TYR A 85 7.145 -1.745 -3.736 1.00 0.00 C ATOM 1260 C TYR A 85 5.749 -2.242 -4.111 1.00 0.00 C ATOM 1261 O TYR A 85 4.761 -1.562 -3.911 1.00 0.00 O ATOM 1262 CB TYR A 85 7.083 -0.986 -2.406 1.00 0.00 C ATOM 1263 CG TYR A 85 8.411 -0.311 -2.132 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.553 -0.671 -2.861 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.497 0.676 -1.142 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.777 -0.043 -2.600 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.722 1.303 -0.882 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.862 0.943 -1.611 1.00 0.00 C ATOM 1269 OH TYR A 85 12.069 1.561 -1.354 1.00 0.00 O ATOM 0 H TYR A 85 7.455 0.157 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 85 7.822 -2.593 -3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.287 -0.242 -2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.842 -1.674 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.489 -1.433 -3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.618 0.954 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.656 -0.320 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.787 2.064 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 85 12.390 2.003 -2.168 1.00 0.00 H new ATOM 1279 N THR A 86 5.659 -3.418 -4.667 1.00 0.00 N ATOM 1280 CA THR A 86 4.329 -3.950 -5.070 1.00 0.00 C ATOM 1281 C THR A 86 3.572 -4.465 -3.843 1.00 0.00 C ATOM 1282 O THR A 86 3.869 -5.517 -3.314 1.00 0.00 O ATOM 1283 CB THR A 86 4.520 -5.094 -6.068 1.00 0.00 C ATOM 1284 OG1 THR A 86 4.961 -4.564 -7.310 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.192 -5.827 -6.268 1.00 0.00 C ATOM 0 H THR A 86 6.449 -4.033 -4.859 1.00 0.00 H new ATOM 0 HA THR A 86 3.752 -3.150 -5.533 1.00 0.00 H new ATOM 0 HB THR A 86 5.263 -5.793 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.086 -5.294 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.330 -6.642 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.852 -6.231 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.447 -5.131 -6.653 1.00 0.00 H new ATOM 1293 N PHE A 87 2.584 -3.738 -3.398 1.00 0.00 N ATOM 1294 CA PHE A 87 1.798 -4.195 -2.222 1.00 0.00 C ATOM 1295 C PHE A 87 0.453 -4.734 -2.708 1.00 0.00 C ATOM 1296 O PHE A 87 0.150 -4.693 -3.884 1.00 0.00 O ATOM 1297 CB PHE A 87 1.570 -3.036 -1.251 1.00 0.00 C ATOM 1298 CG PHE A 87 1.464 -1.755 -2.028 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.373 -1.545 -2.873 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.462 -0.785 -1.912 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.276 -0.361 -3.604 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.369 0.400 -2.643 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.274 0.616 -3.491 1.00 0.00 C ATOM 0 H PHE A 87 2.289 -2.848 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 87 2.348 -4.979 -1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.660 -3.202 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.392 -2.976 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.395 -2.299 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.305 -0.952 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.568 -0.197 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.141 1.151 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.200 1.533 -4.056 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.358 -5.241 -1.823 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.674 -5.776 -2.258 1.00 0.00 C ATOM 1315 C TYR A 88 -2.619 -5.864 -1.056 1.00 0.00 C ATOM 1316 O TYR A 88 -2.557 -5.061 -0.148 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.477 -7.163 -2.875 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.946 -8.113 -1.830 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.338 -7.927 -1.305 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.735 -9.181 -1.389 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.833 -8.808 -0.338 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.240 -10.063 -0.421 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.044 -9.877 0.104 1.00 0.00 C ATOM 1324 OH TYR A 88 0.534 -10.746 1.058 1.00 0.00 O ATOM 0 H TYR A 88 -0.167 -5.307 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.112 -5.111 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.423 -7.534 -3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.783 -7.104 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.947 -7.103 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.725 -9.325 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.823 -8.664 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.849 -10.887 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.140 -11.430 1.254 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.499 -6.828 -1.049 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.453 -6.958 0.087 1.00 0.00 C ATOM 1336 C CYS A 89 -4.462 -8.403 0.592 1.00 0.00 C ATOM 1337 O CYS A 89 -4.073 -9.315 -0.107 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.851 -6.585 -0.400 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.732 -5.681 0.894 1.00 0.00 S ATOM 0 H CYS A 89 -3.598 -7.531 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.150 -6.297 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.781 -5.974 -1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.404 -7.485 -0.668 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.895 -8.614 1.806 1.00 0.00 N ATOM 1345 CA GLU A 90 -4.922 -10.000 2.361 1.00 0.00 C ATOM 1346 C GLU A 90 -6.283 -10.678 2.100 1.00 0.00 C ATOM 1347 O GLU A 90 -6.318 -11.831 1.721 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.648 -9.951 3.867 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.404 -11.367 4.393 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.111 -11.538 5.739 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -6.330 -11.588 5.743 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -4.422 -11.615 6.742 1.00 0.00 O ATOM 0 H GLU A 90 -5.231 -7.887 2.438 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.150 -10.587 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.780 -9.323 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.494 -9.501 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.776 -12.101 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.335 -11.546 4.506 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.367 -9.962 2.318 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.722 -10.510 2.119 1.00 0.00 C ATOM 1361 C PRO A 91 -9.106 -10.477 0.638 1.00 0.00 C ATOM 1362 O PRO A 91 -9.436 -11.487 0.049 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.614 -9.565 2.924 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.835 -8.235 3.054 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.355 -8.559 2.775 1.00 0.00 C ATOM 0 HA PRO A 91 -8.809 -11.550 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.568 -9.409 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.836 -9.983 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.210 -7.496 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.957 -7.811 4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.940 -7.897 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.746 -8.438 3.671 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.070 -9.320 0.033 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.437 -9.220 -1.408 1.00 0.00 C ATOM 1375 C HIS A 92 -8.271 -9.716 -2.272 1.00 0.00 C ATOM 1376 O HIS A 92 -8.313 -9.645 -3.484 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.756 -7.761 -1.754 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.649 -7.177 -0.691 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.135 -6.590 0.461 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.017 -7.094 -0.582 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.190 -6.196 1.204 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.345 -6.481 0.613 1.00 0.00 N ATOM 0 H HIS A 92 -8.802 -8.440 0.475 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.314 -9.837 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.834 -7.184 -1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.245 -7.705 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.725 -7.452 -1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.106 -5.708 2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.281 -6.287 0.968 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.232 -10.222 -1.659 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.070 -10.727 -2.446 1.00 0.00 C ATOM 1392 C ARG A 93 -6.579 -11.532 -3.642 1.00 0.00 C ATOM 1393 O ARG A 93 -7.265 -12.523 -3.486 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.209 -11.633 -1.561 1.00 0.00 C ATOM 1395 CG ARG A 93 -3.925 -12.012 -2.305 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.156 -13.059 -1.495 1.00 0.00 C ATOM 1397 NE ARG A 93 -1.691 -12.839 -1.660 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.094 -13.213 -2.759 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.059 -14.476 -3.087 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -0.528 -12.323 -3.529 1.00 0.00 N ATOM 0 H ARG A 93 -7.139 -10.307 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.475 -9.883 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.964 -11.122 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.765 -12.532 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.167 -12.406 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.306 -11.128 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.428 -12.991 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.424 -14.061 -1.829 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.155 -12.396 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.498 -15.172 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.592 -14.767 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.553 -11.336 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.061 -12.615 -4.388 1.00 0.00 H new ATOM 1414 N GLY A 94 -6.250 -11.119 -4.833 1.00 0.00 N ATOM 1415 CA GLY A 94 -6.717 -11.869 -6.033 1.00 0.00 C ATOM 1416 C GLY A 94 -7.871 -11.113 -6.693 1.00 0.00 C ATOM 1417 O GLY A 94 -8.542 -11.625 -7.567 1.00 0.00 O ATOM 0 H GLY A 94 -5.679 -10.297 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.897 -11.991 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.041 -12.869 -5.746 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.108 -9.897 -6.283 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.219 -9.111 -6.889 1.00 0.00 C ATOM 1423 C ALA A 95 -8.654 -7.834 -7.513 1.00 0.00 C ATOM 1424 O ALA A 95 -9.249 -6.777 -7.436 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.238 -8.748 -5.805 1.00 0.00 C ATOM 0 H ALA A 95 -7.581 -9.414 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.710 -9.705 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.051 -8.173 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.638 -9.660 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.751 -8.152 -5.033 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.510 -7.925 -8.135 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.904 -6.719 -8.770 1.00 0.00 C ATOM 1433 C GLY A 96 -6.277 -5.826 -7.695 1.00 0.00 C ATOM 1434 O GLY A 96 -5.722 -4.785 -7.988 1.00 0.00 O ATOM 0 H GLY A 96 -6.968 -8.784 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.146 -7.020 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.665 -6.164 -9.318 1.00 0.00 H new ATOM 1438 N MET A 97 -6.360 -6.221 -6.454 1.00 0.00 N ATOM 1439 CA MET A 97 -5.770 -5.390 -5.365 1.00 0.00 C ATOM 1440 C MET A 97 -4.242 -5.461 -5.433 1.00 0.00 C ATOM 1441 O MET A 97 -3.597 -5.996 -4.552 1.00 0.00 O ATOM 1442 CB MET A 97 -6.244 -5.917 -4.008 1.00 0.00 C ATOM 1443 CG MET A 97 -7.686 -5.469 -3.757 1.00 0.00 C ATOM 1444 SD MET A 97 -7.731 -4.351 -2.333 1.00 0.00 S ATOM 1445 CE MET A 97 -8.609 -2.988 -3.133 1.00 0.00 C ATOM 0 H MET A 97 -6.811 -7.083 -6.147 1.00 0.00 H new ATOM 0 HA MET A 97 -6.090 -4.355 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.182 -7.005 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.594 -5.546 -3.215 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.081 -4.967 -4.640 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.321 -6.336 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.916 -2.167 -3.317 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.026 -3.330 -4.080 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.415 -2.644 -2.485 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.656 -4.922 -6.468 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.170 -4.956 -6.586 1.00 0.00 C ATOM 1457 C VAL A 98 -1.662 -3.580 -7.023 1.00 0.00 C ATOM 1458 O VAL A 98 -2.015 -3.084 -8.075 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.763 -6.003 -7.627 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.238 -6.121 -7.666 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.368 -7.357 -7.249 1.00 0.00 C ATOM 0 H VAL A 98 -4.142 -4.460 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.735 -5.216 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.128 -5.700 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.050 -6.866 -8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.195 -5.157 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.129 -6.424 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.079 -8.104 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.002 -7.658 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.455 -7.275 -7.221 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.835 -2.959 -6.226 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.306 -1.619 -6.597 1.00 0.00 C ATOM 1473 C GLY A 99 1.204 -1.582 -6.360 1.00 0.00 C ATOM 1474 O GLY A 99 1.802 -2.559 -5.957 1.00 0.00 O ATOM 0 H GLY A 99 -0.504 -3.324 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.526 -1.407 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.797 -0.846 -6.005 1.00 0.00 H new ATOM 1478 N LYS A 100 1.828 -0.462 -6.608 1.00 0.00 N ATOM 1479 CA LYS A 100 3.300 -0.366 -6.397 1.00 0.00 C ATOM 1480 C LYS A 100 3.670 1.062 -5.991 1.00 0.00 C ATOM 1481 O LYS A 100 3.132 2.023 -6.504 1.00 0.00 O ATOM 1482 CB LYS A 100 4.025 -0.725 -7.696 1.00 0.00 C ATOM 1483 CG LYS A 100 3.563 -2.102 -8.176 1.00 0.00 C ATOM 1484 CD LYS A 100 4.362 -2.508 -9.416 1.00 0.00 C ATOM 1485 CE LYS A 100 3.423 -3.153 -10.437 1.00 0.00 C ATOM 1486 NZ LYS A 100 3.662 -2.554 -11.780 1.00 0.00 N ATOM 0 H LYS A 100 1.382 0.390 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 100 3.596 -1.057 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.819 0.026 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.103 -0.728 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.701 -2.839 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.498 -2.079 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.846 -1.634 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.152 -3.206 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.591 -4.229 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.385 -3.002 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.024 -2.992 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.481 -1.531 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.649 -2.720 -12.064 1.00 0.00 H new ATOM 1500 N ILE A 101 4.590 1.209 -5.076 1.00 0.00 N ATOM 1501 CA ILE A 101 4.997 2.576 -4.644 1.00 0.00 C ATOM 1502 C ILE A 101 6.261 2.989 -5.409 1.00 0.00 C ATOM 1503 O ILE A 101 7.211 2.238 -5.505 1.00 0.00 O ATOM 1504 CB ILE A 101 5.255 2.579 -3.117 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.400 3.670 -2.462 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.734 2.850 -2.805 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.840 3.877 -1.006 1.00 0.00 C ATOM 0 H ILE A 101 5.076 0.443 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 101 4.203 3.291 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 101 4.991 1.598 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.499 4.603 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.348 3.389 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.885 2.846 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.350 2.074 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.019 3.822 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.228 4.654 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.718 2.946 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.887 4.179 -0.982 1.00 0.00 H new ATOM 1519 N THR A 102 6.292 4.182 -5.931 1.00 0.00 N ATOM 1520 CA THR A 102 7.507 4.639 -6.657 1.00 0.00 C ATOM 1521 C THR A 102 8.304 5.554 -5.726 1.00 0.00 C ATOM 1522 O THR A 102 7.941 6.690 -5.497 1.00 0.00 O ATOM 1523 CB THR A 102 7.106 5.403 -7.923 1.00 0.00 C ATOM 1524 OG1 THR A 102 5.873 4.893 -8.410 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.187 5.231 -8.991 1.00 0.00 C ATOM 0 H THR A 102 5.530 4.859 -5.886 1.00 0.00 H new ATOM 0 HA THR A 102 8.112 3.782 -6.951 1.00 0.00 H new ATOM 0 HB THR A 102 6.996 6.462 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.133 5.292 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.900 5.775 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.133 5.622 -8.617 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.300 4.173 -9.228 1.00 0.00 H new ATOM 1533 N VAL A 103 9.377 5.062 -5.174 1.00 0.00 N ATOM 1534 CA VAL A 103 10.182 5.901 -4.244 1.00 0.00 C ATOM 1535 C VAL A 103 11.378 6.488 -4.989 1.00 0.00 C ATOM 1536 O VAL A 103 12.267 5.780 -5.417 1.00 0.00 O ATOM 1537 CB VAL A 103 10.680 5.040 -3.083 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.486 5.906 -2.117 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.487 4.433 -2.342 1.00 0.00 C ATOM 0 H VAL A 103 9.731 4.118 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 103 9.562 6.710 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 103 11.310 4.240 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.842 5.293 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.339 6.338 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.854 6.706 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.846 3.820 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.855 5.232 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.909 3.814 -3.028 1.00 0.00 H new ATOM 1549 N ALA A 104 11.407 7.782 -5.145 1.00 0.00 N ATOM 1550 CA ALA A 104 12.543 8.422 -5.861 1.00 0.00 C ATOM 1551 C ALA A 104 13.661 8.730 -4.863 1.00 0.00 C ATOM 1552 O ALA A 104 13.470 9.456 -3.907 1.00 0.00 O ATOM 1553 CB ALA A 104 12.066 9.719 -6.516 1.00 0.00 C ATOM 0 H ALA A 104 10.691 8.425 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 104 12.919 7.747 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.898 10.189 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.269 9.497 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.691 10.397 -5.749 1.00 0.00 H new ATOM 1559 N GLY A 105 14.827 8.183 -5.076 1.00 0.00 N ATOM 1560 CA GLY A 105 15.955 8.445 -4.137 1.00 0.00 C ATOM 1561 C GLY A 105 16.004 9.936 -3.804 1.00 0.00 C ATOM 1562 O GLY A 105 15.597 10.723 -4.642 1.00 0.00 O ATOM 1563 OXT GLY A 105 16.446 10.265 -2.716 1.00 0.00 O ATOM 0 H GLY A 105 15.047 7.567 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.826 7.862 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.897 8.131 -4.586 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.657 -5.203 0.271 1.00 0.00 CU