USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 HIS : no HD1:sc= 0.519 K(o=0.75,f=-3.1) USER MOD Set 1.2: A 9 HIS : no HD1:sc= 0.23 K(o=0.75,f=-3.5!) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0251) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.084 X(o=-0.084,f=-0.084) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 134:sc= 1.25 USER MOD Single : A 64 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.0527 (180deg=-0.421) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 30:sc= 0.497 USER MOD Single : A 112 HIS : no HD1:sc= 0.0714 K(o=0.071,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.173 18.504 -28.332 1.00 0.00 N ATOM 2 CA MET A 1 10.600 19.783 -27.808 1.00 0.00 C ATOM 3 C MET A 1 10.899 19.929 -26.306 1.00 0.00 C ATOM 4 O MET A 1 10.651 18.995 -25.540 1.00 0.00 O ATOM 5 CB MET A 1 9.082 19.880 -28.119 1.00 0.00 C ATOM 6 CG MET A 1 8.452 21.266 -27.888 1.00 0.00 C ATOM 7 SD MET A 1 8.131 21.780 -26.171 1.00 0.00 S ATOM 8 CE MET A 1 6.771 20.665 -25.718 1.00 0.00 C ATOM 0 H1 MET A 1 10.963 18.420 -29.347 1.00 0.00 H new ATOM 0 H2 MET A 1 12.203 18.501 -28.190 1.00 0.00 H new ATOM 0 H3 MET A 1 10.752 17.701 -27.823 1.00 0.00 H new ATOM 0 HA MET A 1 11.080 20.618 -28.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.922 19.595 -29.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.554 19.152 -27.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.105 22.010 -28.343 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.506 21.298 -28.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.395 20.932 -24.730 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.967 20.756 -26.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.133 19.637 -25.702 1.00 0.00 H new ATOM 20 N ARG A 2 11.444 21.081 -25.879 1.00 0.00 N ATOM 21 CA ARG A 2 11.800 21.387 -24.474 1.00 0.00 C ATOM 22 C ARG A 2 11.493 22.856 -24.133 1.00 0.00 C ATOM 23 O ARG A 2 12.375 23.716 -24.141 1.00 0.00 O ATOM 24 CB ARG A 2 13.278 20.998 -24.240 1.00 0.00 C ATOM 25 CG ARG A 2 13.672 21.045 -22.752 1.00 0.00 C ATOM 26 CD ARG A 2 15.153 20.707 -22.532 1.00 0.00 C ATOM 27 NE ARG A 2 15.458 19.293 -22.837 1.00 0.00 N ATOM 28 CZ ARG A 2 16.658 18.739 -22.894 1.00 0.00 C ATOM 29 NH1 ARG A 2 17.749 19.423 -22.678 1.00 0.00 N ATOM 30 NH2 ARG A 2 16.787 17.474 -23.171 1.00 0.00 N ATOM 0 H ARG A 2 11.657 21.849 -26.516 1.00 0.00 H new ATOM 0 HA ARG A 2 11.188 20.798 -23.791 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.452 19.994 -24.627 1.00 0.00 H new ATOM 0 HB3 ARG A 2 13.922 21.673 -24.804 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.465 22.039 -22.355 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.054 20.343 -22.192 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.768 21.352 -23.160 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.422 20.919 -21.497 1.00 0.00 H new ATOM 0 HE ARG A 2 14.662 18.682 -23.022 1.00 0.00 H new ATOM 0 HH11 ARG A 2 17.692 20.417 -22.457 1.00 0.00 H new ATOM 0 HH12 ARG A 2 18.658 18.963 -22.730 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.960 16.903 -23.346 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.715 17.053 -23.213 1.00 0.00 H new ATOM 44 N GLY A 3 10.219 23.144 -23.864 1.00 0.00 N ATOM 45 CA GLY A 3 9.743 24.461 -23.413 1.00 0.00 C ATOM 46 C GLY A 3 10.099 24.767 -21.949 1.00 0.00 C ATOM 47 O GLY A 3 10.351 23.854 -21.156 1.00 0.00 O ATOM 0 H GLY A 3 9.470 22.457 -23.954 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.171 25.233 -24.053 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.661 24.510 -23.534 1.00 0.00 H new ATOM 51 N SER A 4 10.102 26.052 -21.581 1.00 0.00 N ATOM 52 CA SER A 4 10.402 26.504 -20.208 1.00 0.00 C ATOM 53 C SER A 4 9.263 26.184 -19.222 1.00 0.00 C ATOM 54 O SER A 4 9.509 25.779 -18.081 1.00 0.00 O ATOM 55 CB SER A 4 10.703 28.008 -20.224 1.00 0.00 C ATOM 56 OG SER A 4 11.168 28.449 -18.956 1.00 0.00 O ATOM 0 H SER A 4 9.896 26.815 -22.226 1.00 0.00 H new ATOM 0 HA SER A 4 11.277 25.957 -19.856 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.453 28.224 -20.985 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.803 28.559 -20.497 1.00 0.00 H new ATOM 0 HG SER A 4 11.354 29.410 -18.992 1.00 0.00 H new ATOM 62 N HIS A 5 8.010 26.305 -19.679 1.00 0.00 N ATOM 63 CA HIS A 5 6.788 25.926 -18.954 1.00 0.00 C ATOM 64 C HIS A 5 5.669 25.510 -19.926 1.00 0.00 C ATOM 65 O HIS A 5 5.602 26.007 -21.055 1.00 0.00 O ATOM 66 CB HIS A 5 6.332 27.101 -18.071 1.00 0.00 C ATOM 67 CG HIS A 5 5.076 26.802 -17.284 1.00 0.00 C ATOM 68 ND1 HIS A 5 3.777 27.164 -17.657 1.00 0.00 N ATOM 69 CD2 HIS A 5 5.014 26.044 -16.149 1.00 0.00 C ATOM 70 CE1 HIS A 5 2.964 26.615 -16.737 1.00 0.00 C ATOM 71 NE2 HIS A 5 3.680 25.941 -15.820 1.00 0.00 N ATOM 0 H HIS A 5 7.810 26.686 -20.604 1.00 0.00 H new ATOM 0 HA HIS A 5 7.008 25.065 -18.323 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.134 27.360 -17.379 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.160 27.974 -18.700 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.847 25.611 -15.615 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.888 26.703 -16.735 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.300 25.439 -15.017 1.00 0.00 H new ATOM 79 N HIS A 6 4.778 24.613 -19.486 1.00 0.00 N ATOM 80 CA HIS A 6 3.553 24.233 -20.203 1.00 0.00 C ATOM 81 C HIS A 6 2.420 23.862 -19.229 1.00 0.00 C ATOM 82 O HIS A 6 2.657 23.215 -18.205 1.00 0.00 O ATOM 83 CB HIS A 6 3.860 23.063 -21.152 1.00 0.00 C ATOM 84 CG HIS A 6 2.674 22.640 -21.986 1.00 0.00 C ATOM 85 ND1 HIS A 6 1.942 21.460 -21.821 1.00 0.00 N ATOM 86 CD2 HIS A 6 2.117 23.368 -22.997 1.00 0.00 C ATOM 87 CE1 HIS A 6 0.960 21.506 -22.740 1.00 0.00 C ATOM 88 NE2 HIS A 6 1.041 22.640 -23.457 1.00 0.00 N ATOM 0 H HIS A 6 4.891 24.119 -18.601 1.00 0.00 H new ATOM 0 HA HIS A 6 3.210 25.090 -20.783 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.678 23.347 -21.814 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.205 22.211 -20.566 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.453 24.326 -23.364 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.212 20.740 -22.881 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.413 22.915 -24.213 1.00 0.00 H new ATOM 96 N HIS A 7 1.177 24.231 -19.564 1.00 0.00 N ATOM 97 CA HIS A 7 -0.032 23.791 -18.852 1.00 0.00 C ATOM 98 C HIS A 7 -0.462 22.400 -19.352 1.00 0.00 C ATOM 99 O HIS A 7 -1.297 22.271 -20.252 1.00 0.00 O ATOM 100 CB HIS A 7 -1.144 24.842 -18.987 1.00 0.00 C ATOM 101 CG HIS A 7 -0.902 26.077 -18.155 1.00 0.00 C ATOM 102 ND1 HIS A 7 -1.044 26.157 -16.764 1.00 0.00 N ATOM 103 CD2 HIS A 7 -0.523 27.299 -18.630 1.00 0.00 C ATOM 104 CE1 HIS A 7 -0.755 27.429 -16.436 1.00 0.00 C ATOM 105 NE2 HIS A 7 -0.437 28.134 -17.536 1.00 0.00 N ATOM 0 H HIS A 7 0.979 24.852 -20.348 1.00 0.00 H new ATOM 0 HA HIS A 7 0.183 23.696 -17.788 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -1.237 25.130 -20.034 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.094 24.395 -18.694 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.329 27.560 -19.660 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.775 27.827 -15.432 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.176 29.120 -17.558 1.00 0.00 H new ATOM 113 N HIS A 8 0.143 21.353 -18.776 1.00 0.00 N ATOM 114 CA HIS A 8 -0.053 19.955 -19.201 1.00 0.00 C ATOM 115 C HIS A 8 -1.414 19.365 -18.784 1.00 0.00 C ATOM 116 O HIS A 8 -1.911 18.429 -19.418 1.00 0.00 O ATOM 117 CB HIS A 8 1.119 19.120 -18.660 1.00 0.00 C ATOM 118 CG HIS A 8 1.174 17.717 -19.214 1.00 0.00 C ATOM 119 ND1 HIS A 8 0.920 16.543 -18.497 1.00 0.00 N ATOM 120 CD2 HIS A 8 1.498 17.389 -20.500 1.00 0.00 C ATOM 121 CE1 HIS A 8 1.090 15.536 -19.372 1.00 0.00 C ATOM 122 NE2 HIS A 8 1.439 16.014 -20.580 1.00 0.00 N ATOM 0 H HIS A 8 0.790 21.451 -17.993 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.067 19.928 -20.291 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.054 19.630 -18.893 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.046 19.069 -17.574 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.751 18.072 -21.297 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.964 14.489 -19.138 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.628 15.455 -21.412 1.00 0.00 H new ATOM 130 N HIS A 9 -2.043 19.930 -17.747 1.00 0.00 N ATOM 131 CA HIS A 9 -3.401 19.587 -17.299 1.00 0.00 C ATOM 132 C HIS A 9 -4.473 19.958 -18.346 1.00 0.00 C ATOM 133 O HIS A 9 -4.322 20.916 -19.110 1.00 0.00 O ATOM 134 CB HIS A 9 -3.686 20.253 -15.938 1.00 0.00 C ATOM 135 CG HIS A 9 -3.599 21.764 -15.955 1.00 0.00 C ATOM 136 ND1 HIS A 9 -4.649 22.638 -16.266 1.00 0.00 N ATOM 137 CD2 HIS A 9 -2.470 22.498 -15.719 1.00 0.00 C ATOM 138 CE1 HIS A 9 -4.120 23.873 -16.228 1.00 0.00 C ATOM 139 NE2 HIS A 9 -2.815 23.819 -15.906 1.00 0.00 N ATOM 0 H HIS A 9 -1.611 20.659 -17.179 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.454 18.505 -17.179 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.682 19.962 -15.605 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -2.979 19.868 -15.203 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.498 22.117 -15.441 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.667 24.783 -16.428 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.188 24.619 -15.816 1.00 0.00 H new ATOM 147 N HIS A 10 -5.571 19.186 -18.383 1.00 0.00 N ATOM 148 CA HIS A 10 -6.719 19.418 -19.275 1.00 0.00 C ATOM 149 C HIS A 10 -8.023 18.859 -18.680 1.00 0.00 C ATOM 150 O HIS A 10 -8.042 17.739 -18.161 1.00 0.00 O ATOM 151 CB HIS A 10 -6.443 18.785 -20.650 1.00 0.00 C ATOM 152 CG HIS A 10 -7.529 19.067 -21.659 1.00 0.00 C ATOM 153 ND1 HIS A 10 -8.578 18.204 -21.995 1.00 0.00 N ATOM 154 CD2 HIS A 10 -7.669 20.227 -22.364 1.00 0.00 C ATOM 155 CE1 HIS A 10 -9.323 18.863 -22.899 1.00 0.00 C ATOM 156 NE2 HIS A 10 -8.801 20.081 -23.139 1.00 0.00 N ATOM 0 H HIS A 10 -5.688 18.369 -17.784 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.848 20.494 -19.389 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.494 19.160 -21.032 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.336 17.707 -20.532 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.021 21.090 -22.323 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.214 18.471 -23.367 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.178 20.776 -23.783 1.00 0.00 H new ATOM 164 N GLY A 11 -9.109 19.635 -18.766 1.00 0.00 N ATOM 165 CA GLY A 11 -10.416 19.302 -18.178 1.00 0.00 C ATOM 166 C GLY A 11 -10.431 19.288 -16.639 1.00 0.00 C ATOM 167 O GLY A 11 -9.413 19.522 -15.984 1.00 0.00 O ATOM 0 H GLY A 11 -9.106 20.530 -19.255 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.154 20.022 -18.531 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.727 18.323 -18.542 1.00 0.00 H new ATOM 171 N SER A 12 -11.606 19.025 -16.055 1.00 0.00 N ATOM 172 CA SER A 12 -11.800 18.815 -14.610 1.00 0.00 C ATOM 173 C SER A 12 -13.122 18.087 -14.312 1.00 0.00 C ATOM 174 O SER A 12 -14.049 18.104 -15.127 1.00 0.00 O ATOM 175 CB SER A 12 -11.771 20.162 -13.870 1.00 0.00 C ATOM 176 OG SER A 12 -11.662 19.966 -12.478 1.00 0.00 O ATOM 0 H SER A 12 -12.473 18.950 -16.586 1.00 0.00 H new ATOM 0 HA SER A 12 -10.983 18.186 -14.257 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.931 20.759 -14.225 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.678 20.724 -14.093 1.00 0.00 H new ATOM 0 HG SER A 12 -10.981 20.570 -12.115 1.00 0.00 H new ATOM 182 N GLY A 58 -13.222 17.444 -13.143 1.00 0.00 N ATOM 183 CA GLY A 58 -14.437 16.774 -12.667 1.00 0.00 C ATOM 184 C GLY A 58 -14.268 16.076 -11.312 1.00 0.00 C ATOM 185 O GLY A 58 -13.161 15.710 -10.916 1.00 0.00 O ATOM 0 H GLY A 58 -12.444 17.374 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.239 17.508 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.749 16.038 -13.408 1.00 0.00 H new ATOM 189 N ALA A 59 -15.383 15.853 -10.610 1.00 0.00 N ATOM 190 CA ALA A 59 -15.447 15.264 -9.266 1.00 0.00 C ATOM 191 C ALA A 59 -15.545 13.717 -9.273 1.00 0.00 C ATOM 192 O ALA A 59 -16.207 13.116 -8.426 1.00 0.00 O ATOM 193 CB ALA A 59 -16.584 15.959 -8.499 1.00 0.00 C ATOM 0 H ALA A 59 -16.305 16.087 -10.977 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.507 15.444 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.655 15.540 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.378 17.027 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.526 15.803 -9.024 1.00 0.00 H new ATOM 199 N LEU A 60 -14.905 13.061 -10.253 1.00 0.00 N ATOM 200 CA LEU A 60 -15.060 11.622 -10.531 1.00 0.00 C ATOM 201 C LEU A 60 -14.332 10.676 -9.555 1.00 0.00 C ATOM 202 O LEU A 60 -14.596 9.472 -9.548 1.00 0.00 O ATOM 203 CB LEU A 60 -14.731 11.349 -12.007 1.00 0.00 C ATOM 204 CG LEU A 60 -13.293 11.618 -12.498 1.00 0.00 C ATOM 205 CD1 LEU A 60 -12.280 10.550 -12.075 1.00 0.00 C ATOM 206 CD2 LEU A 60 -13.327 11.642 -14.023 1.00 0.00 C ATOM 0 H LEU A 60 -14.253 13.523 -10.887 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.106 11.377 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.962 10.303 -12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.408 11.949 -12.615 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.971 12.559 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.294 10.812 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.243 10.494 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.581 9.583 -12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.324 11.830 -14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.683 10.681 -14.394 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.998 12.432 -14.360 1.00 0.00 H new ATOM 218 N ALA A 61 -13.421 11.206 -8.733 1.00 0.00 N ATOM 219 CA ALA A 61 -12.657 10.424 -7.760 1.00 0.00 C ATOM 220 C ALA A 61 -13.538 9.872 -6.624 1.00 0.00 C ATOM 221 O ALA A 61 -14.356 10.600 -6.054 1.00 0.00 O ATOM 222 CB ALA A 61 -11.533 11.288 -7.190 1.00 0.00 C ATOM 0 H ALA A 61 -13.192 12.200 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.240 9.561 -8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.961 10.709 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.875 11.609 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.960 12.163 -6.700 1.00 0.00 H new ATOM 228 N ALA A 62 -13.333 8.603 -6.264 1.00 0.00 N ATOM 229 CA ALA A 62 -14.099 7.897 -5.242 1.00 0.00 C ATOM 230 C ALA A 62 -13.359 7.701 -3.907 1.00 0.00 C ATOM 231 O ALA A 62 -12.132 7.624 -3.855 1.00 0.00 O ATOM 232 CB ALA A 62 -14.606 6.570 -5.823 1.00 0.00 C ATOM 0 H ALA A 62 -12.608 8.025 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.944 8.533 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.179 6.036 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.242 6.770 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.757 5.960 -6.132 1.00 0.00 H new ATOM 238 N LEU A 63 -14.137 7.595 -2.822 1.00 0.00 N ATOM 239 CA LEU A 63 -13.658 7.434 -1.446 1.00 0.00 C ATOM 240 C LEU A 63 -14.255 6.190 -0.770 1.00 0.00 C ATOM 241 O LEU A 63 -15.411 5.831 -1.010 1.00 0.00 O ATOM 242 CB LEU A 63 -14.004 8.686 -0.613 1.00 0.00 C ATOM 243 CG LEU A 63 -13.431 10.022 -1.116 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.912 11.160 -0.217 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.906 10.030 -1.107 1.00 0.00 C ATOM 0 H LEU A 63 -15.155 7.620 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.577 7.306 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.089 8.776 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.653 8.526 0.406 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.779 10.154 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.504 12.105 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.001 11.204 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.575 10.984 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.545 10.992 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.547 9.868 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.534 9.236 -1.754 1.00 0.00 H new ATOM 257 N HIS A 64 -13.490 5.582 0.137 1.00 0.00 N ATOM 258 CA HIS A 64 -14.002 4.635 1.134 1.00 0.00 C ATOM 259 C HIS A 64 -14.857 5.370 2.179 1.00 0.00 C ATOM 260 O HIS A 64 -14.509 6.476 2.596 1.00 0.00 O ATOM 261 CB HIS A 64 -12.824 3.934 1.818 1.00 0.00 C ATOM 262 CG HIS A 64 -12.056 2.967 0.952 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.541 1.744 0.479 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.740 3.088 0.607 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.503 1.160 -0.143 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.413 1.945 -0.090 1.00 0.00 N ATOM 0 H HIS A 64 -12.484 5.734 0.203 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.627 3.894 0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.134 4.694 2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.199 3.397 2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.085 3.916 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.539 0.192 -0.620 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.502 1.732 -0.495 1.00 0.00 H new ATOM 274 N ALA A 65 -15.956 4.757 2.630 1.00 0.00 N ATOM 275 CA ALA A 65 -16.946 5.402 3.506 1.00 0.00 C ATOM 276 C ALA A 65 -16.941 4.912 4.971 1.00 0.00 C ATOM 277 O ALA A 65 -17.554 5.549 5.830 1.00 0.00 O ATOM 278 CB ALA A 65 -18.323 5.219 2.855 1.00 0.00 C ATOM 0 H ALA A 65 -16.188 3.791 2.397 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.680 6.455 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.085 5.686 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.324 5.685 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.539 4.155 2.754 1.00 0.00 H new ATOM 284 N GLU A 66 -16.268 3.793 5.275 1.00 0.00 N ATOM 285 CA GLU A 66 -16.323 3.109 6.581 1.00 0.00 C ATOM 286 C GLU A 66 -14.942 2.610 7.056 1.00 0.00 C ATOM 287 O GLU A 66 -14.027 2.397 6.254 1.00 0.00 O ATOM 288 CB GLU A 66 -17.308 1.926 6.515 1.00 0.00 C ATOM 289 CG GLU A 66 -18.762 2.351 6.270 1.00 0.00 C ATOM 290 CD GLU A 66 -19.710 1.139 6.349 1.00 0.00 C ATOM 291 OE1 GLU A 66 -19.954 0.481 5.306 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.226 0.834 7.453 1.00 0.00 O ATOM 0 H GLU A 66 -15.656 3.325 4.607 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.666 3.845 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.997 1.249 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.254 1.366 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.056 3.097 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.847 2.821 5.290 1.00 0.00 H new ATOM 299 N GLY A 67 -14.800 2.397 8.371 1.00 0.00 N ATOM 300 CA GLY A 67 -13.583 1.864 9.000 1.00 0.00 C ATOM 301 C GLY A 67 -12.378 2.825 8.976 1.00 0.00 C ATOM 302 O GLY A 67 -12.547 4.021 8.722 1.00 0.00 O ATOM 0 H GLY A 67 -15.543 2.594 9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.807 1.608 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.304 0.939 8.496 1.00 0.00 H new ATOM 306 N PRO A 68 -11.142 2.327 9.202 1.00 0.00 N ATOM 307 CA PRO A 68 -9.921 3.150 9.201 1.00 0.00 C ATOM 308 C PRO A 68 -9.660 3.879 7.871 1.00 0.00 C ATOM 309 O PRO A 68 -8.988 4.912 7.841 1.00 0.00 O ATOM 310 CB PRO A 68 -8.775 2.174 9.506 1.00 0.00 C ATOM 311 CG PRO A 68 -9.329 0.799 9.146 1.00 0.00 C ATOM 312 CD PRO A 68 -10.812 0.932 9.471 1.00 0.00 C ATOM 0 HA PRO A 68 -10.017 3.948 9.937 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.888 2.409 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.484 2.221 10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.166 0.561 8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.857 0.008 9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.411 0.261 8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.011 0.674 10.511 1.00 0.00 H new ATOM 320 N LEU A 69 -10.206 3.347 6.773 1.00 0.00 N ATOM 321 CA LEU A 69 -10.104 3.894 5.418 1.00 0.00 C ATOM 322 C LEU A 69 -11.140 4.995 5.116 1.00 0.00 C ATOM 323 O LEU A 69 -11.040 5.634 4.067 1.00 0.00 O ATOM 324 CB LEU A 69 -10.172 2.700 4.436 1.00 0.00 C ATOM 325 CG LEU A 69 -8.809 2.214 3.906 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.778 1.966 5.008 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.979 0.893 3.154 1.00 0.00 C ATOM 0 H LEU A 69 -10.754 2.487 6.806 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.154 4.415 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.669 1.867 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.795 2.982 3.587 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.447 3.014 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.843 1.626 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.603 2.891 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.152 1.204 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.010 0.558 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.390 0.141 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.659 1.037 2.314 1.00 0.00 H new ATOM 339 N ALA A 70 -12.107 5.261 6.004 1.00 0.00 N ATOM 340 CA ALA A 70 -13.130 6.286 5.783 1.00 0.00 C ATOM 341 C ALA A 70 -12.511 7.654 5.425 1.00 0.00 C ATOM 342 O ALA A 70 -11.674 8.187 6.160 1.00 0.00 O ATOM 343 CB ALA A 70 -14.029 6.387 7.022 1.00 0.00 C ATOM 0 H ALA A 70 -12.200 4.771 6.894 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.735 5.989 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.790 7.150 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.511 5.426 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.425 6.657 7.888 1.00 0.00 H new ATOM 349 N GLY A 71 -12.933 8.222 4.288 1.00 0.00 N ATOM 350 CA GLY A 71 -12.425 9.493 3.757 1.00 0.00 C ATOM 351 C GLY A 71 -11.242 9.395 2.793 1.00 0.00 C ATOM 352 O GLY A 71 -10.787 10.433 2.310 1.00 0.00 O ATOM 0 H GLY A 71 -13.652 7.802 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.242 10.003 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.132 10.123 4.597 1.00 0.00 H new ATOM 356 N LEU A 72 -10.731 8.192 2.512 1.00 0.00 N ATOM 357 CA LEU A 72 -9.525 7.981 1.700 1.00 0.00 C ATOM 358 C LEU A 72 -9.850 7.422 0.292 1.00 0.00 C ATOM 359 O LEU A 72 -10.867 6.741 0.144 1.00 0.00 O ATOM 360 CB LEU A 72 -8.577 7.062 2.491 1.00 0.00 C ATOM 361 CG LEU A 72 -8.215 7.483 3.933 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.116 6.556 4.458 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.715 8.925 4.037 1.00 0.00 C ATOM 0 H LEU A 72 -11.149 7.324 2.847 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.038 8.938 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.027 6.070 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.650 6.968 1.925 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.129 7.410 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.852 6.844 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.475 5.527 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.237 6.636 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.479 9.154 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.820 9.045 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.489 9.605 3.682 1.00 0.00 H new ATOM 375 N PRO A 73 -9.016 7.670 -0.746 1.00 0.00 N ATOM 376 CA PRO A 73 -9.213 7.159 -2.116 1.00 0.00 C ATOM 377 C PRO A 73 -9.354 5.638 -2.168 1.00 0.00 C ATOM 378 O PRO A 73 -8.648 4.917 -1.464 1.00 0.00 O ATOM 379 CB PRO A 73 -7.986 7.619 -2.918 1.00 0.00 C ATOM 380 CG PRO A 73 -6.921 7.813 -1.840 1.00 0.00 C ATOM 381 CD PRO A 73 -7.735 8.364 -0.678 1.00 0.00 C ATOM 0 HA PRO A 73 -10.144 7.546 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.683 6.875 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.183 8.543 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.427 6.876 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.143 8.507 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.237 8.180 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.866 9.443 -0.765 1.00 0.00 H new ATOM 389 N VAL A 74 -10.222 5.142 -3.052 1.00 0.00 N ATOM 390 CA VAL A 74 -10.339 3.698 -3.313 1.00 0.00 C ATOM 391 C VAL A 74 -9.198 3.215 -4.220 1.00 0.00 C ATOM 392 O VAL A 74 -8.708 2.099 -4.035 1.00 0.00 O ATOM 393 CB VAL A 74 -11.730 3.325 -3.870 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.906 1.808 -3.997 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.852 3.827 -2.951 1.00 0.00 C ATOM 0 H VAL A 74 -10.858 5.718 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.243 3.176 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.791 3.796 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.898 1.589 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.150 1.409 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.796 1.346 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.818 3.548 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.742 3.378 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.793 4.912 -2.864 1.00 0.00 H new ATOM 405 N THR A 75 -8.732 4.054 -5.155 1.00 0.00 N ATOM 406 CA THR A 75 -7.708 3.705 -6.162 1.00 0.00 C ATOM 407 C THR A 75 -6.609 4.763 -6.296 1.00 0.00 C ATOM 408 O THR A 75 -6.771 5.914 -5.882 1.00 0.00 O ATOM 409 CB THR A 75 -8.350 3.446 -7.543 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.553 4.665 -8.227 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.693 2.717 -7.469 1.00 0.00 C ATOM 0 H THR A 75 -9.060 5.016 -5.238 1.00 0.00 H new ATOM 0 HA THR A 75 -7.237 2.791 -5.801 1.00 0.00 H new ATOM 0 HB THR A 75 -7.648 2.804 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.959 4.486 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.083 2.570 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.555 1.748 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.399 3.312 -6.890 1.00 0.00 H new ATOM 419 N ARG A 76 -5.483 4.403 -6.939 1.00 0.00 N ATOM 420 CA ARG A 76 -4.415 5.366 -7.291 1.00 0.00 C ATOM 421 C ARG A 76 -4.922 6.492 -8.197 1.00 0.00 C ATOM 422 O ARG A 76 -4.486 7.628 -8.057 1.00 0.00 O ATOM 423 CB ARG A 76 -3.181 4.623 -7.865 1.00 0.00 C ATOM 424 CG ARG A 76 -3.390 3.918 -9.224 1.00 0.00 C ATOM 425 CD ARG A 76 -3.100 4.797 -10.454 1.00 0.00 C ATOM 426 NE ARG A 76 -1.668 4.784 -10.820 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.116 4.308 -11.920 1.00 0.00 C ATOM 428 NH1 ARG A 76 -1.799 3.716 -12.861 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.165 4.425 -12.094 1.00 0.00 N ATOM 0 H ARG A 76 -5.286 3.445 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.091 5.864 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.366 5.339 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.858 3.879 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.749 3.037 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.420 3.565 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.693 4.446 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.412 5.821 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.028 5.193 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.808 3.604 -12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.324 3.365 -13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.737 4.882 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.600 4.060 -12.941 1.00 0.00 H new ATOM 443 N SER A 77 -5.891 6.199 -9.064 1.00 0.00 N ATOM 444 CA SER A 77 -6.530 7.187 -9.945 1.00 0.00 C ATOM 445 C SER A 77 -7.436 8.141 -9.161 1.00 0.00 C ATOM 446 O SER A 77 -7.389 9.347 -9.402 1.00 0.00 O ATOM 447 CB SER A 77 -7.315 6.482 -11.058 1.00 0.00 C ATOM 448 OG SER A 77 -6.455 5.592 -11.759 1.00 0.00 O ATOM 0 H SER A 77 -6.262 5.256 -9.179 1.00 0.00 H new ATOM 0 HA SER A 77 -5.742 7.787 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.155 5.933 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.731 7.218 -11.745 1.00 0.00 H new ATOM 0 HG SER A 77 -6.959 5.141 -12.469 1.00 0.00 H new ATOM 454 N ASP A 78 -8.171 7.652 -8.154 1.00 0.00 N ATOM 455 CA ASP A 78 -8.910 8.534 -7.237 1.00 0.00 C ATOM 456 C ASP A 78 -7.943 9.449 -6.485 1.00 0.00 C ATOM 457 O ASP A 78 -8.167 10.651 -6.430 1.00 0.00 O ATOM 458 CB ASP A 78 -9.748 7.762 -6.211 1.00 0.00 C ATOM 459 CG ASP A 78 -10.761 6.792 -6.819 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.423 7.150 -7.824 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.949 5.715 -6.212 1.00 0.00 O ATOM 0 H ASP A 78 -8.271 6.657 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.590 9.117 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.076 7.204 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.280 8.477 -5.584 1.00 0.00 H new ATOM 466 N ALA A 79 -6.833 8.915 -5.966 1.00 0.00 N ATOM 467 CA ALA A 79 -5.821 9.700 -5.257 1.00 0.00 C ATOM 468 C ALA A 79 -5.193 10.790 -6.152 1.00 0.00 C ATOM 469 O ALA A 79 -5.136 11.955 -5.764 1.00 0.00 O ATOM 470 CB ALA A 79 -4.772 8.725 -4.713 1.00 0.00 C ATOM 0 H ALA A 79 -6.611 7.921 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.286 10.242 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.002 9.281 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.249 8.019 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.318 8.180 -5.541 1.00 0.00 H new ATOM 476 N ARG A 80 -4.800 10.436 -7.383 1.00 0.00 N ATOM 477 CA ARG A 80 -4.275 11.361 -8.406 1.00 0.00 C ATOM 478 C ARG A 80 -5.263 12.491 -8.720 1.00 0.00 C ATOM 479 O ARG A 80 -4.873 13.655 -8.747 1.00 0.00 O ATOM 480 CB ARG A 80 -3.919 10.525 -9.652 1.00 0.00 C ATOM 481 CG ARG A 80 -3.099 11.305 -10.686 1.00 0.00 C ATOM 482 CD ARG A 80 -2.813 10.451 -11.927 1.00 0.00 C ATOM 483 NE ARG A 80 -1.959 11.185 -12.883 1.00 0.00 N ATOM 484 CZ ARG A 80 -2.015 11.156 -14.206 1.00 0.00 C ATOM 485 NH1 ARG A 80 -2.876 10.422 -14.852 1.00 0.00 N ATOM 486 NH2 ARG A 80 -1.192 11.873 -14.915 1.00 0.00 N ATOM 0 H ARG A 80 -4.838 9.470 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.381 11.863 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.358 9.643 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.838 10.170 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.639 12.206 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.159 11.628 -10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.322 9.524 -11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.751 10.175 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.241 11.785 -12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.539 9.842 -14.338 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.887 10.427 -15.872 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.499 12.461 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.240 11.847 -15.934 1.00 0.00 H new ATOM 500 N VAL A 81 -6.547 12.167 -8.888 1.00 0.00 N ATOM 501 CA VAL A 81 -7.599 13.155 -9.194 1.00 0.00 C ATOM 502 C VAL A 81 -8.012 13.968 -7.958 1.00 0.00 C ATOM 503 O VAL A 81 -8.271 15.160 -8.099 1.00 0.00 O ATOM 504 CB VAL A 81 -8.787 12.476 -9.905 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.978 13.420 -10.127 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.357 11.972 -11.289 1.00 0.00 C ATOM 0 H VAL A 81 -6.894 11.210 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.188 13.887 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.095 11.662 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.780 12.881 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.336 13.787 -9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.664 14.263 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.204 11.494 -11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.013 12.813 -11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.548 11.250 -11.178 1.00 0.00 H new ATOM 516 N LEU A 82 -7.983 13.412 -6.740 1.00 0.00 N ATOM 517 CA LEU A 82 -8.157 14.196 -5.505 1.00 0.00 C ATOM 518 C LEU A 82 -7.031 15.231 -5.344 1.00 0.00 C ATOM 519 O LEU A 82 -7.319 16.397 -5.082 1.00 0.00 O ATOM 520 CB LEU A 82 -8.227 13.257 -4.285 1.00 0.00 C ATOM 521 CG LEU A 82 -9.536 12.449 -4.185 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.340 11.279 -3.229 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.716 13.287 -3.695 1.00 0.00 C ATOM 0 H LEU A 82 -7.840 12.415 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.097 14.743 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.387 12.563 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.108 13.849 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.770 12.102 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.266 10.708 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.543 10.635 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.070 11.656 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.609 12.664 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.494 13.683 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.888 14.113 -4.386 1.00 0.00 H new ATOM 535 N ILE A 83 -5.768 14.851 -5.589 1.00 0.00 N ATOM 536 CA ILE A 83 -4.629 15.789 -5.581 1.00 0.00 C ATOM 537 C ILE A 83 -4.781 16.851 -6.683 1.00 0.00 C ATOM 538 O ILE A 83 -4.529 18.029 -6.435 1.00 0.00 O ATOM 539 CB ILE A 83 -3.282 15.041 -5.703 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.041 14.137 -4.469 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.124 16.054 -5.838 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.992 13.044 -4.701 1.00 0.00 C ATOM 0 H ILE A 83 -5.505 13.888 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.630 16.304 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.320 14.413 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.726 14.758 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.983 13.669 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.179 15.517 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.276 16.664 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.098 16.696 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.877 12.451 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.314 12.398 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.038 13.504 -4.957 1.00 0.00 H new ATOM 554 N PHE A 84 -5.236 16.467 -7.881 1.00 0.00 N ATOM 555 CA PHE A 84 -5.511 17.426 -8.952 1.00 0.00 C ATOM 556 C PHE A 84 -6.600 18.437 -8.564 1.00 0.00 C ATOM 557 O PHE A 84 -6.388 19.639 -8.710 1.00 0.00 O ATOM 558 CB PHE A 84 -5.908 16.695 -10.239 1.00 0.00 C ATOM 559 CG PHE A 84 -6.287 17.615 -11.392 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.505 18.749 -11.692 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.439 17.352 -12.154 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.838 19.581 -12.772 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.776 18.187 -13.234 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.970 19.295 -13.551 1.00 0.00 C ATOM 0 H PHE A 84 -5.421 15.496 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.591 17.985 -9.122 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.079 16.061 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.749 16.036 -10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.642 18.980 -11.085 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.066 16.507 -11.909 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.225 20.439 -13.003 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.657 17.977 -13.822 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.221 19.924 -14.392 1.00 0.00 H new ATOM 574 N ASN A 85 -7.739 17.982 -8.033 1.00 0.00 N ATOM 575 CA ASN A 85 -8.818 18.878 -7.623 1.00 0.00 C ATOM 576 C ASN A 85 -8.396 19.789 -6.448 1.00 0.00 C ATOM 577 O ASN A 85 -8.725 20.974 -6.437 1.00 0.00 O ATOM 578 CB ASN A 85 -10.064 18.046 -7.276 1.00 0.00 C ATOM 579 CG ASN A 85 -11.195 18.956 -6.818 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.931 19.519 -7.613 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.338 19.165 -5.527 1.00 0.00 N ATOM 0 H ASN A 85 -7.935 16.993 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.055 19.543 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.380 17.471 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.824 17.329 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.064 19.797 -5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.723 18.695 -4.863 1.00 0.00 H new ATOM 588 N GLU A 86 -7.644 19.245 -5.483 1.00 0.00 N ATOM 589 CA GLU A 86 -7.034 19.992 -4.376 1.00 0.00 C ATOM 590 C GLU A 86 -6.153 21.131 -4.911 1.00 0.00 C ATOM 591 O GLU A 86 -6.422 22.299 -4.618 1.00 0.00 O ATOM 592 CB GLU A 86 -6.248 19.005 -3.494 1.00 0.00 C ATOM 593 CG GLU A 86 -5.533 19.623 -2.289 1.00 0.00 C ATOM 594 CD GLU A 86 -4.699 18.538 -1.578 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.263 17.707 -0.830 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.465 18.462 -1.783 1.00 0.00 O ATOM 0 H GLU A 86 -7.438 18.247 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.805 20.463 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.936 18.240 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.507 18.501 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.888 20.439 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.261 20.048 -1.599 1.00 0.00 H new ATOM 603 N TRP A 87 -5.160 20.818 -5.759 1.00 0.00 N ATOM 604 CA TRP A 87 -4.381 21.818 -6.480 1.00 0.00 C ATOM 605 C TRP A 87 -5.265 22.823 -7.224 1.00 0.00 C ATOM 606 O TRP A 87 -5.020 24.013 -7.100 1.00 0.00 O ATOM 607 CB TRP A 87 -3.432 21.143 -7.472 1.00 0.00 C ATOM 608 CG TRP A 87 -2.749 22.118 -8.380 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.670 22.858 -8.046 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.154 22.588 -9.709 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.354 23.719 -9.073 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.235 23.600 -10.125 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.228 22.306 -10.585 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.354 24.271 -11.351 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.374 22.994 -11.805 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.439 23.970 -12.189 1.00 0.00 C ATOM 0 H TRP A 87 -4.880 19.858 -5.959 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.808 22.367 -5.733 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.680 20.579 -6.921 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.992 20.426 -8.072 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.134 22.785 -7.111 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.565 24.365 -9.057 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.949 21.549 -10.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.622 25.008 -11.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.211 22.770 -12.450 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.555 24.489 -13.129 1.00 0.00 H new ATOM 627 N GLU A 88 -6.283 22.389 -7.968 1.00 0.00 N ATOM 628 CA GLU A 88 -7.081 23.270 -8.820 1.00 0.00 C ATOM 629 C GLU A 88 -7.850 24.332 -8.009 1.00 0.00 C ATOM 630 O GLU A 88 -7.760 25.525 -8.311 1.00 0.00 O ATOM 631 CB GLU A 88 -8.029 22.416 -9.675 1.00 0.00 C ATOM 632 CG GLU A 88 -8.623 23.209 -10.842 1.00 0.00 C ATOM 633 CD GLU A 88 -10.159 23.077 -10.886 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.865 23.890 -10.241 1.00 0.00 O ATOM 635 OE2 GLU A 88 -10.670 22.160 -11.572 1.00 0.00 O ATOM 0 H GLU A 88 -6.578 21.413 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.407 23.825 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.489 21.552 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.835 22.033 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.349 24.260 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.198 22.852 -11.780 1.00 0.00 H new ATOM 642 N GLU A 89 -8.539 23.933 -6.936 1.00 0.00 N ATOM 643 CA GLU A 89 -9.244 24.871 -6.053 1.00 0.00 C ATOM 644 C GLU A 89 -8.267 25.798 -5.306 1.00 0.00 C ATOM 645 O GLU A 89 -8.471 27.020 -5.270 1.00 0.00 O ATOM 646 CB GLU A 89 -10.146 24.109 -5.066 1.00 0.00 C ATOM 647 CG GLU A 89 -11.344 23.445 -5.761 1.00 0.00 C ATOM 648 CD GLU A 89 -12.331 22.844 -4.739 1.00 0.00 C ATOM 649 OE1 GLU A 89 -13.042 23.621 -4.053 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.429 21.598 -4.625 1.00 0.00 O ATOM 0 H GLU A 89 -8.625 22.956 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.873 25.504 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.558 23.347 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.508 24.798 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.861 24.180 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.989 22.661 -6.430 1.00 0.00 H new ATOM 657 N ARG A 90 -7.160 25.247 -4.775 1.00 0.00 N ATOM 658 CA ARG A 90 -6.105 26.050 -4.129 1.00 0.00 C ATOM 659 C ARG A 90 -5.533 27.077 -5.095 1.00 0.00 C ATOM 660 O ARG A 90 -5.553 28.258 -4.787 1.00 0.00 O ATOM 661 CB ARG A 90 -4.965 25.159 -3.635 1.00 0.00 C ATOM 662 CG ARG A 90 -5.363 24.217 -2.501 1.00 0.00 C ATOM 663 CD ARG A 90 -5.263 24.866 -1.114 1.00 0.00 C ATOM 664 NE ARG A 90 -5.608 23.902 -0.049 1.00 0.00 N ATOM 665 CZ ARG A 90 -6.809 23.606 0.421 1.00 0.00 C ATOM 666 NH1 ARG A 90 -7.899 24.153 -0.041 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.939 22.731 1.376 1.00 0.00 N ATOM 0 H ARG A 90 -6.972 24.244 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.564 26.561 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.591 24.568 -4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.143 25.791 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.385 23.876 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.724 23.334 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.251 25.240 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.932 25.725 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.825 23.404 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.846 24.839 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.805 23.895 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.114 22.272 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.866 22.504 1.737 1.00 0.00 H new ATOM 681 N LYS A 91 -5.097 26.635 -6.273 1.00 0.00 N ATOM 682 CA LYS A 91 -4.549 27.465 -7.366 1.00 0.00 C ATOM 683 C LYS A 91 -5.502 28.589 -7.787 1.00 0.00 C ATOM 684 O LYS A 91 -5.056 29.719 -7.973 1.00 0.00 O ATOM 685 CB LYS A 91 -4.123 26.567 -8.549 1.00 0.00 C ATOM 686 CG LYS A 91 -3.430 27.321 -9.699 1.00 0.00 C ATOM 687 CD LYS A 91 -4.385 27.708 -10.845 1.00 0.00 C ATOM 688 CE LYS A 91 -3.603 28.413 -11.963 1.00 0.00 C ATOM 689 NZ LYS A 91 -4.492 28.824 -13.090 1.00 0.00 N ATOM 0 H LYS A 91 -5.113 25.643 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.660 27.973 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.450 25.794 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.005 26.060 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.966 28.224 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.628 26.700 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.875 26.817 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.170 28.364 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.102 29.292 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.826 27.747 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.926 29.296 -13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.951 27.983 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.219 29.479 -12.738 1.00 0.00 H new ATOM 703 N LYS A 92 -6.812 28.322 -7.891 1.00 0.00 N ATOM 704 CA LYS A 92 -7.819 29.365 -8.180 1.00 0.00 C ATOM 705 C LYS A 92 -7.980 30.373 -7.030 1.00 0.00 C ATOM 706 O LYS A 92 -8.217 31.552 -7.297 1.00 0.00 O ATOM 707 CB LYS A 92 -9.162 28.722 -8.569 1.00 0.00 C ATOM 708 CG LYS A 92 -9.095 28.122 -9.984 1.00 0.00 C ATOM 709 CD LYS A 92 -10.359 27.356 -10.405 1.00 0.00 C ATOM 710 CE LYS A 92 -11.582 28.250 -10.683 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.535 28.322 -9.535 1.00 0.00 N ATOM 0 H LYS A 92 -7.205 27.388 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.454 29.941 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.418 27.943 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.954 29.469 -8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.916 28.925 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.240 27.448 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.136 26.777 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.616 26.644 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.240 29.256 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.108 27.872 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.335 28.938 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.888 27.368 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.047 28.710 -8.702 1.00 0.00 H new ATOM 725 N SER A 93 -7.807 29.948 -5.773 1.00 0.00 N ATOM 726 CA SER A 93 -7.795 30.855 -4.608 1.00 0.00 C ATOM 727 C SER A 93 -6.466 31.628 -4.421 1.00 0.00 C ATOM 728 O SER A 93 -6.472 32.815 -4.085 1.00 0.00 O ATOM 729 CB SER A 93 -8.126 30.049 -3.347 1.00 0.00 C ATOM 730 OG SER A 93 -8.497 30.916 -2.286 1.00 0.00 O ATOM 0 H SER A 93 -7.671 28.967 -5.530 1.00 0.00 H new ATOM 0 HA SER A 93 -8.550 31.619 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.938 29.352 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.262 29.453 -3.052 1.00 0.00 H new ATOM 0 HG SER A 93 -8.707 30.386 -1.489 1.00 0.00 H new ATOM 736 N ASP A 94 -5.326 30.979 -4.674 1.00 0.00 N ATOM 737 CA ASP A 94 -3.944 31.412 -4.442 1.00 0.00 C ATOM 738 C ASP A 94 -2.998 30.679 -5.433 1.00 0.00 C ATOM 739 O ASP A 94 -2.765 29.474 -5.292 1.00 0.00 O ATOM 740 CB ASP A 94 -3.520 31.083 -2.998 1.00 0.00 C ATOM 741 CG ASP A 94 -4.099 32.061 -1.963 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.710 33.256 -1.982 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.890 31.634 -1.088 1.00 0.00 O ATOM 0 H ASP A 94 -5.350 30.046 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.880 32.489 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.842 30.071 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.432 31.096 -2.933 1.00 0.00 H new ATOM 748 N PRO A 95 -2.421 31.366 -6.437 1.00 0.00 N ATOM 749 CA PRO A 95 -1.853 30.744 -7.647 1.00 0.00 C ATOM 750 C PRO A 95 -0.505 30.015 -7.484 1.00 0.00 C ATOM 751 O PRO A 95 -0.093 29.283 -8.384 1.00 0.00 O ATOM 752 CB PRO A 95 -1.736 31.896 -8.656 1.00 0.00 C ATOM 753 CG PRO A 95 -1.552 33.114 -7.753 1.00 0.00 C ATOM 754 CD PRO A 95 -2.514 32.801 -6.614 1.00 0.00 C ATOM 0 HA PRO A 95 -2.510 29.932 -7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.890 31.760 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.628 31.983 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.524 33.214 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.808 34.043 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.235 33.331 -5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.531 33.104 -6.861 1.00 0.00 H new ATOM 762 N TRP A 96 0.198 30.217 -6.366 1.00 0.00 N ATOM 763 CA TRP A 96 1.573 29.737 -6.142 1.00 0.00 C ATOM 764 C TRP A 96 1.741 28.206 -6.039 1.00 0.00 C ATOM 765 O TRP A 96 2.858 27.710 -6.219 1.00 0.00 O ATOM 766 CB TRP A 96 2.110 30.376 -4.852 1.00 0.00 C ATOM 767 CG TRP A 96 1.554 29.793 -3.583 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.259 29.838 -3.204 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.238 29.006 -2.557 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.090 29.156 -2.017 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.277 28.613 -1.575 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.568 28.570 -2.360 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.617 27.836 -0.458 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.920 27.789 -1.241 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.950 27.424 -0.291 1.00 0.00 C ATOM 0 H TRP A 96 -0.179 30.731 -5.569 1.00 0.00 H new ATOM 0 HA TRP A 96 2.132 30.032 -7.030 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.195 30.275 -4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.890 31.443 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.529 30.335 -3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.801 29.065 -1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.327 28.840 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.864 27.558 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.943 27.468 -1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.229 26.828 0.565 1.00 0.00 H new ATOM 786 N LEU A 97 0.682 27.449 -5.714 1.00 0.00 N ATOM 787 CA LEU A 97 0.784 26.042 -5.333 1.00 0.00 C ATOM 788 C LEU A 97 1.142 25.167 -6.555 1.00 0.00 C ATOM 789 O LEU A 97 0.522 25.292 -7.614 1.00 0.00 O ATOM 790 CB LEU A 97 -0.528 25.651 -4.610 1.00 0.00 C ATOM 791 CG LEU A 97 -0.420 24.391 -3.728 1.00 0.00 C ATOM 792 CD1 LEU A 97 -1.487 24.375 -2.640 1.00 0.00 C ATOM 793 CD2 LEU A 97 -0.640 23.124 -4.534 1.00 0.00 C ATOM 0 H LEU A 97 -0.274 27.804 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 97 1.603 25.870 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.849 26.487 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.306 25.491 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 97 0.583 24.422 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.380 23.472 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.370 25.252 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.475 24.389 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.556 22.257 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.633 23.146 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.112 23.058 -5.321 1.00 0.00 H new ATOM 805 N ARG A 98 2.126 24.263 -6.415 1.00 0.00 N ATOM 806 CA ARG A 98 2.593 23.351 -7.483 1.00 0.00 C ATOM 807 C ARG A 98 1.939 21.961 -7.395 1.00 0.00 C ATOM 808 O ARG A 98 1.857 21.376 -6.315 1.00 0.00 O ATOM 809 CB ARG A 98 4.133 23.283 -7.439 1.00 0.00 C ATOM 810 CG ARG A 98 4.735 22.549 -8.648 1.00 0.00 C ATOM 811 CD ARG A 98 6.270 22.528 -8.602 1.00 0.00 C ATOM 812 NE ARG A 98 6.852 23.876 -8.790 1.00 0.00 N ATOM 813 CZ ARG A 98 8.113 24.225 -8.602 1.00 0.00 C ATOM 814 NH1 ARG A 98 9.021 23.370 -8.221 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.492 25.456 -8.799 1.00 0.00 N ATOM 0 H ARG A 98 2.633 24.140 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 98 2.284 23.748 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.535 24.295 -7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.443 22.779 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.359 21.526 -8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.406 23.034 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.598 22.123 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.646 21.860 -9.377 1.00 0.00 H new ATOM 0 HE ARG A 98 6.214 24.611 -9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.767 22.396 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.985 23.676 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.814 26.156 -9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.466 25.719 -8.652 1.00 0.00 H new ATOM 829 N LEU A 99 1.486 21.432 -8.534 1.00 0.00 N ATOM 830 CA LEU A 99 0.835 20.117 -8.651 1.00 0.00 C ATOM 831 C LEU A 99 1.904 19.000 -8.748 1.00 0.00 C ATOM 832 O LEU A 99 2.683 18.973 -9.704 1.00 0.00 O ATOM 833 CB LEU A 99 -0.094 20.163 -9.890 1.00 0.00 C ATOM 834 CG LEU A 99 -1.259 19.152 -9.965 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.864 19.201 -11.371 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.854 17.721 -9.690 1.00 0.00 C ATOM 0 H LEU A 99 1.562 21.917 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 99 0.235 19.890 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.518 21.165 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.525 20.024 -10.776 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.966 19.445 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.688 18.491 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.234 20.206 -11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.101 18.941 -12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.729 17.075 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.110 17.407 -10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.431 17.649 -8.688 1.00 0.00 H new ATOM 848 N ASP A 100 1.924 18.057 -7.796 1.00 0.00 N ATOM 849 CA ASP A 100 2.780 16.855 -7.818 1.00 0.00 C ATOM 850 C ASP A 100 2.003 15.597 -7.378 1.00 0.00 C ATOM 851 O ASP A 100 1.469 15.549 -6.269 1.00 0.00 O ATOM 852 CB ASP A 100 4.013 17.060 -6.922 1.00 0.00 C ATOM 853 CG ASP A 100 5.046 18.016 -7.544 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.745 17.604 -8.501 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.199 19.158 -7.047 1.00 0.00 O ATOM 0 H ASP A 100 1.332 18.107 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 100 3.108 16.701 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.694 17.454 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.484 16.095 -6.733 1.00 0.00 H new ATOM 860 N MET A 101 1.932 14.575 -8.246 1.00 0.00 N ATOM 861 CA MET A 101 1.193 13.318 -8.005 1.00 0.00 C ATOM 862 C MET A 101 1.768 12.118 -8.781 1.00 0.00 C ATOM 863 O MET A 101 1.070 11.403 -9.503 1.00 0.00 O ATOM 864 CB MET A 101 -0.334 13.513 -8.171 1.00 0.00 C ATOM 865 CG MET A 101 -0.817 14.486 -9.248 1.00 0.00 C ATOM 866 SD MET A 101 -0.728 13.937 -10.972 1.00 0.00 S ATOM 867 CE MET A 101 -2.172 14.824 -11.624 1.00 0.00 C ATOM 0 H MET A 101 2.395 14.597 -9.155 1.00 0.00 H new ATOM 0 HA MET A 101 1.346 13.051 -6.959 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.775 12.538 -8.378 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.735 13.847 -7.214 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.854 14.742 -9.030 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.236 15.404 -9.157 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.443 14.413 -12.596 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.010 14.711 -10.936 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.931 15.882 -11.732 1.00 0.00 H new ATOM 877 N SER A 102 3.064 11.868 -8.573 1.00 0.00 N ATOM 878 CA SER A 102 3.669 10.552 -8.840 1.00 0.00 C ATOM 879 C SER A 102 3.061 9.485 -7.919 1.00 0.00 C ATOM 880 O SER A 102 2.647 9.788 -6.795 1.00 0.00 O ATOM 881 CB SER A 102 5.191 10.636 -8.657 1.00 0.00 C ATOM 882 OG SER A 102 5.800 9.375 -8.894 1.00 0.00 O ATOM 0 H SER A 102 3.721 12.562 -8.218 1.00 0.00 H new ATOM 0 HA SER A 102 3.458 10.263 -9.869 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.603 11.378 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.422 10.972 -7.646 1.00 0.00 H new ATOM 0 HG SER A 102 6.770 9.452 -8.774 1.00 0.00 H new ATOM 888 N ASP A 103 3.052 8.220 -8.337 1.00 0.00 N ATOM 889 CA ASP A 103 2.539 7.111 -7.516 1.00 0.00 C ATOM 890 C ASP A 103 3.221 7.042 -6.137 1.00 0.00 C ATOM 891 O ASP A 103 2.561 6.750 -5.146 1.00 0.00 O ATOM 892 CB ASP A 103 2.697 5.789 -8.270 1.00 0.00 C ATOM 893 CG ASP A 103 1.735 5.696 -9.463 1.00 0.00 C ATOM 894 OD1 ASP A 103 0.501 5.620 -9.264 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.198 5.659 -10.627 1.00 0.00 O ATOM 0 H ASP A 103 3.398 7.930 -9.252 1.00 0.00 H new ATOM 0 HA ASP A 103 1.480 7.295 -7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.724 5.692 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.514 4.958 -7.589 1.00 0.00 H new ATOM 900 N LYS A 104 4.497 7.447 -6.036 1.00 0.00 N ATOM 901 CA LYS A 104 5.209 7.610 -4.754 1.00 0.00 C ATOM 902 C LYS A 104 4.544 8.648 -3.837 1.00 0.00 C ATOM 903 O LYS A 104 4.383 8.394 -2.646 1.00 0.00 O ATOM 904 CB LYS A 104 6.678 7.957 -5.049 1.00 0.00 C ATOM 905 CG LYS A 104 7.560 7.849 -3.793 1.00 0.00 C ATOM 906 CD LYS A 104 9.064 7.972 -4.091 1.00 0.00 C ATOM 907 CE LYS A 104 9.453 9.356 -4.635 1.00 0.00 C ATOM 908 NZ LYS A 104 10.924 9.468 -4.849 1.00 0.00 N ATOM 0 H LYS A 104 5.071 7.673 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 104 5.162 6.671 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.061 7.288 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.738 8.970 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.272 8.628 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.371 6.892 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.628 7.774 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.350 7.209 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.933 9.537 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.127 10.127 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.150 10.414 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.418 9.320 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.231 8.748 -5.534 1.00 0.00 H new ATOM 922 N ALA A 105 4.091 9.779 -4.388 1.00 0.00 N ATOM 923 CA ALA A 105 3.309 10.785 -3.660 1.00 0.00 C ATOM 924 C ALA A 105 1.946 10.236 -3.219 1.00 0.00 C ATOM 925 O ALA A 105 1.511 10.491 -2.095 1.00 0.00 O ATOM 926 CB ALA A 105 3.187 12.056 -4.510 1.00 0.00 C ATOM 0 H ALA A 105 4.259 10.025 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 105 3.834 11.044 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.606 12.802 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.181 12.451 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.687 11.819 -5.449 1.00 0.00 H new ATOM 932 N ILE A 106 1.310 9.412 -4.058 1.00 0.00 N ATOM 933 CA ILE A 106 0.030 8.771 -3.704 1.00 0.00 C ATOM 934 C ILE A 106 0.230 7.784 -2.556 1.00 0.00 C ATOM 935 O ILE A 106 -0.486 7.867 -1.562 1.00 0.00 O ATOM 936 CB ILE A 106 -0.649 8.135 -4.940 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.396 9.209 -5.757 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.662 7.034 -4.575 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.476 10.246 -6.397 1.00 0.00 C ATOM 0 H ILE A 106 1.656 9.171 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.659 9.538 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 106 0.157 7.685 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.976 8.719 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.106 9.719 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.103 6.629 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.154 6.237 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.448 7.456 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.073 10.967 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.085 10.764 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.217 9.748 -7.075 1.00 0.00 H new ATOM 951 N PHE A 107 1.223 6.901 -2.638 1.00 0.00 N ATOM 952 CA PHE A 107 1.466 5.901 -1.589 1.00 0.00 C ATOM 953 C PHE A 107 1.950 6.541 -0.274 1.00 0.00 C ATOM 954 O PHE A 107 1.625 6.049 0.808 1.00 0.00 O ATOM 955 CB PHE A 107 2.432 4.810 -2.077 1.00 0.00 C ATOM 956 CG PHE A 107 2.100 4.169 -3.415 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.760 3.980 -3.803 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.135 3.728 -4.262 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.453 3.392 -5.038 1.00 0.00 C ATOM 960 CE2 PHE A 107 2.827 3.117 -5.493 1.00 0.00 C ATOM 961 CZ PHE A 107 1.486 2.955 -5.885 1.00 0.00 C ATOM 0 H PHE A 107 1.876 6.854 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 107 0.510 5.426 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.431 5.241 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.472 4.025 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.038 4.290 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.166 3.858 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.578 3.275 -5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.622 2.772 -6.137 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.251 2.496 -6.834 1.00 0.00 H new ATOM 971 N ARG A 108 2.669 7.677 -0.343 1.00 0.00 N ATOM 972 CA ARG A 108 3.068 8.479 0.830 1.00 0.00 C ATOM 973 C ARG A 108 1.868 9.139 1.522 1.00 0.00 C ATOM 974 O ARG A 108 1.767 9.074 2.748 1.00 0.00 O ATOM 975 CB ARG A 108 4.134 9.505 0.402 1.00 0.00 C ATOM 976 CG ARG A 108 4.704 10.293 1.594 1.00 0.00 C ATOM 977 CD ARG A 108 5.807 11.258 1.145 1.00 0.00 C ATOM 978 NE ARG A 108 6.341 12.023 2.289 1.00 0.00 N ATOM 979 CZ ARG A 108 7.250 12.984 2.248 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.801 13.371 1.131 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.625 13.581 3.344 1.00 0.00 N ATOM 0 H ARG A 108 2.994 8.069 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 108 3.501 7.814 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.946 8.989 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.697 10.201 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.904 10.852 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.103 9.599 2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.613 10.699 0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.411 11.945 0.397 1.00 0.00 H new ATOM 0 HE ARG A 108 5.970 11.786 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.534 12.929 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.498 14.115 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.218 13.308 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.326 14.321 3.307 1.00 0.00 H new ATOM 995 N ARG A 109 0.943 9.743 0.758 1.00 0.00 N ATOM 996 CA ARG A 109 -0.294 10.353 1.302 1.00 0.00 C ATOM 997 C ARG A 109 -1.311 9.308 1.780 1.00 0.00 C ATOM 998 O ARG A 109 -1.990 9.527 2.781 1.00 0.00 O ATOM 999 CB ARG A 109 -0.932 11.282 0.253 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.173 12.614 0.112 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.729 13.517 -1.001 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.144 13.903 -0.772 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.693 15.102 -0.903 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -2.022 16.173 -1.201 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -3.974 15.256 -0.757 1.00 0.00 N ATOM 0 H ARG A 109 1.026 9.825 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.005 10.934 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.954 10.775 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.966 11.484 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.215 13.150 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.878 12.406 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.118 14.417 -1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.648 13.000 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.770 13.154 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.014 16.119 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.503 17.068 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.563 14.452 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.391 16.181 -0.859 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.397 8.180 1.073 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.435 7.157 1.211 1.00 0.00 C ATOM 1021 C TYR A 110 -1.801 5.746 1.273 1.00 0.00 C ATOM 1022 O TYR A 110 -1.678 5.066 0.249 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.433 7.328 0.051 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.974 8.737 -0.110 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.841 9.270 0.862 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.594 9.524 -1.215 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.340 10.580 0.724 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.093 10.836 -1.358 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.965 11.367 -0.387 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.416 12.647 -0.504 1.00 0.00 O ATOM 0 H TYR A 110 -0.712 7.944 0.355 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.980 7.275 2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.946 7.031 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.270 6.646 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.125 8.673 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.918 9.122 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.010 10.983 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.807 11.433 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.556 13.027 0.388 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.365 5.288 2.467 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.518 4.096 2.616 1.00 0.00 C ATOM 1042 C PRO A 111 -1.230 2.757 2.359 1.00 0.00 C ATOM 1043 O PRO A 111 -0.574 1.717 2.274 1.00 0.00 O ATOM 1044 CB PRO A 111 0.040 4.180 4.042 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.038 4.951 4.800 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.526 5.950 3.755 1.00 0.00 C ATOM 0 HA PRO A 111 0.261 4.102 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.201 3.190 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.998 4.699 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.840 4.297 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.636 5.450 5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.568 6.220 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.947 6.873 3.796 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.560 2.754 2.212 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.350 1.557 1.890 1.00 0.00 C ATOM 1056 C HIS A 112 -3.364 1.196 0.392 1.00 0.00 C ATOM 1057 O HIS A 112 -3.864 0.125 0.040 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.762 1.721 2.474 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.588 2.797 1.816 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.326 4.169 1.867 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.666 2.578 1.011 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.266 4.742 1.098 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.090 3.816 0.583 1.00 0.00 N ATOM 0 H HIS A 112 -3.127 3.595 2.315 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.863 0.700 2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.290 0.771 2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.678 1.944 3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.101 1.622 0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.348 5.804 0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.892 3.998 -0.021 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.812 2.044 -0.494 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.787 1.789 -1.945 1.00 0.00 C ATOM 1073 C LEU A 113 -1.643 0.848 -2.375 1.00 0.00 C ATOM 1074 O LEU A 113 -1.863 0.019 -3.264 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.764 3.116 -2.743 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.110 3.849 -2.940 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.150 3.020 -3.687 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.742 4.236 -1.622 1.00 0.00 C ATOM 0 H LEU A 113 -2.372 2.924 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.712 1.264 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.078 3.799 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.345 2.910 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.846 4.728 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.070 3.596 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.770 2.765 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.355 2.106 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.686 4.749 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.926 3.340 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.070 4.899 -1.077 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.453 0.939 -1.754 1.00 0.00 N ATOM 1091 CA ARG A 114 0.694 0.037 -1.997 1.00 0.00 C ATOM 1092 C ARG A 114 1.617 -0.091 -0.777 1.00 0.00 C ATOM 1093 O ARG A 114 2.077 -1.228 -0.518 1.00 0.00 O ATOM 1094 CB ARG A 114 1.467 0.511 -3.244 1.00 0.00 C ATOM 1095 CG ARG A 114 2.552 -0.465 -3.726 1.00 0.00 C ATOM 1096 CD ARG A 114 3.926 -0.196 -3.096 1.00 0.00 C ATOM 1097 NE ARG A 114 4.860 -1.308 -3.340 1.00 0.00 N ATOM 1098 CZ ARG A 114 4.957 -2.424 -2.638 1.00 0.00 C ATOM 1099 NH1 ARG A 114 4.187 -2.684 -1.621 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.847 -3.318 -2.958 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.910 0.931 -0.115 1.00 0.00 O ATOM 0 H ARG A 114 -0.255 1.655 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 114 0.301 -0.964 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.758 0.677 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.931 1.473 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.245 -1.484 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.637 -0.398 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.341 0.725 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.812 -0.045 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 114 5.496 -1.207 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.473 -2.013 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.298 -3.559 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.469 -3.157 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.922 -4.179 -2.417 1.00 0.00 H new TER 1115 ARG A 114