USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1072 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 65 GLN : amide:sc= 0.913 K(o=-0.58,f=-5.4) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -2.36! C(o=-0.58!,f=-16!) USER MOD Set 1.3: A 130 SER OG : rot -14:sc= 0.861 USER MOD Set 2.1: A 52 CYS SG : rot 103:sc= 0.838 USER MOD Set 2.2: A 54 HIS : no HD1:sc= 0.246 K(o=2.4,f=-0.99!) USER MOD Set 2.3: A 113 TYR OH : rot 31:sc= 1.27 USER MOD Set 3.1: A 20 SER OG : rot -151:sc= 0.955 USER MOD Set 3.2: A 42 THR OG1 : rot -12:sc= 0.97 USER MOD Set 3.3: A 47 GLN : amide:sc= -3.41! C(o=-1.5!,f=-4.4!) USER MOD Set 4.1: A 25 HIS : no HD1:sc= 0.283 K(o=-1.1,f=-9.2!) USER MOD Set 4.2: A 29 ASN : amide:sc= -1.39! X(o=-1.1!,f=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ -141:sc= 1.98 (180deg=-0.928!) USER MOD Single : A 7 CYS SG : rot 172:sc= -1.16! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 21:sc= 0.991 USER MOD Single : A 19 THR OG1 : rot -160:sc= 0.958 USER MOD Single : A 21 SER OG : rot 180:sc= -1.38 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 0.773 (180deg=-0.643) USER MOD Single : A 34 ASN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 38:sc= 1.17 USER MOD Single : A 41 THR OG1 : rot 132:sc= 0.354 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= 1.89 (180deg=0.19) USER MOD Single : A 56 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.28) USER MOD Single : A 66 SER OG : rot -170:sc= -0.163 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 70 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.021) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.981) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0666) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ -121:sc= 1.55 (180deg=0.291) USER MOD Single : A 95 HIS : no HD1:sc= 0.36 K(o=0.36,f=-5.1!) USER MOD Single : A 96 THR OG1 : rot 120:sc= 0.914 USER MOD Single : A 99 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.019) USER MOD Single : A 101 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.2!) USER MOD Single : A 102 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.9!) USER MOD Single : A 108 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.13) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 152:sc= 1.25 USER MOD Single : A 120 SER OG : rot 180:sc= 0.00823 USER MOD Single : A 124 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 127 SER OG : rot 93:sc= 1.54 USER MOD Single : A 132 SER OG : rot -159:sc= 1.22 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 0.703 -11.633 6.079 1.00 0.00 N ATOM 19 CA ARG A 2 0.109 -11.650 4.738 1.00 0.00 C ATOM 20 C ARG A 2 -0.003 -10.242 4.166 1.00 0.00 C ATOM 21 O ARG A 2 -0.907 -9.945 3.388 1.00 0.00 O ATOM 22 CB ARG A 2 -1.268 -12.313 4.765 1.00 0.00 C ATOM 23 CG ARG A 2 -1.238 -13.747 5.255 1.00 0.00 C ATOM 24 CD ARG A 2 -2.631 -14.340 5.309 1.00 0.00 C ATOM 25 NE ARG A 2 -2.608 -15.732 5.741 1.00 0.00 N ATOM 26 CZ ARG A 2 -3.696 -16.432 6.052 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.896 -15.865 5.989 1.00 0.00 N ATOM 28 NH2 ARG A 2 -3.581 -17.697 6.431 1.00 0.00 N ATOM 0 HA ARG A 2 0.768 -12.231 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.930 -11.732 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.694 -12.289 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.611 -14.346 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.785 -13.785 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.248 -13.757 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.094 -14.272 4.324 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.703 -16.198 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.985 -14.890 5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.728 -16.404 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.660 -18.132 6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.414 -18.236 6.670 1.00 0.00 H new ATOM 42 N LYS A 3 0.932 -9.389 4.536 1.00 0.00 N ATOM 43 CA LYS A 3 0.913 -8.016 4.083 1.00 0.00 C ATOM 44 C LYS A 3 2.292 -7.651 3.553 1.00 0.00 C ATOM 45 O LYS A 3 3.245 -7.499 4.323 1.00 0.00 O ATOM 46 CB LYS A 3 0.502 -7.092 5.237 1.00 0.00 C ATOM 47 CG LYS A 3 -0.187 -5.802 4.810 1.00 0.00 C ATOM 48 CD LYS A 3 -0.596 -4.971 6.022 1.00 0.00 C ATOM 49 CE LYS A 3 -1.510 -3.805 5.652 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.841 -2.805 4.779 1.00 0.00 N ATOM 0 H LYS A 3 1.713 -9.624 5.149 1.00 0.00 H new ATOM 0 HA LYS A 3 0.185 -7.896 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.165 -7.640 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.391 -6.838 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.483 -5.221 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.068 -6.037 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.104 -5.612 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.298 -4.586 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.395 -4.189 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.853 -3.314 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.132 -1.847 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.191 -2.896 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.113 -2.971 3.789 1.00 0.00 H new ATOM 64 N ILE A 4 2.400 -7.566 2.236 1.00 0.00 N ATOM 65 CA ILE A 4 3.673 -7.330 1.574 1.00 0.00 C ATOM 66 C ILE A 4 3.443 -6.693 0.207 1.00 0.00 C ATOM 67 O ILE A 4 2.520 -7.079 -0.511 1.00 0.00 O ATOM 68 CB ILE A 4 4.466 -8.654 1.417 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.762 -8.435 0.628 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.607 -9.721 0.747 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.541 -9.710 0.381 1.00 0.00 C ATOM 0 H ILE A 4 1.610 -7.658 1.598 1.00 0.00 H new ATOM 0 HA ILE A 4 4.259 -6.649 2.191 1.00 0.00 H new ATOM 0 HB ILE A 4 4.734 -9.001 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.521 -7.974 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.394 -7.732 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.182 -10.641 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.722 -9.911 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.301 -9.375 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.446 -9.480 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.812 -10.161 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.926 -10.407 -0.188 1.00 0.00 H new ATOM 83 N ASP A 5 4.258 -5.700 -0.131 1.00 0.00 N ATOM 84 CA ASP A 5 4.170 -5.030 -1.426 1.00 0.00 C ATOM 85 C ASP A 5 4.512 -6.002 -2.555 1.00 0.00 C ATOM 86 O ASP A 5 5.684 -6.220 -2.857 1.00 0.00 O ATOM 87 CB ASP A 5 5.133 -3.837 -1.481 1.00 0.00 C ATOM 88 CG ASP A 5 4.846 -2.773 -0.438 1.00 0.00 C ATOM 89 OD1 ASP A 5 4.981 -3.062 0.768 1.00 0.00 O ATOM 90 OD2 ASP A 5 4.509 -1.635 -0.827 1.00 0.00 O ATOM 0 H ASP A 5 4.992 -5.338 0.478 1.00 0.00 H new ATOM 0 HA ASP A 5 3.147 -4.674 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.153 -4.198 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.082 -3.385 -2.472 1.00 0.00 H new ATOM 95 N LEU A 6 3.495 -6.587 -3.175 1.00 0.00 N ATOM 96 CA LEU A 6 3.721 -7.577 -4.223 1.00 0.00 C ATOM 97 C LEU A 6 4.032 -6.935 -5.566 1.00 0.00 C ATOM 98 O LEU A 6 4.342 -7.627 -6.533 1.00 0.00 O ATOM 99 CB LEU A 6 2.525 -8.525 -4.350 1.00 0.00 C ATOM 100 CG LEU A 6 2.268 -9.410 -3.128 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.958 -10.167 -3.278 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.422 -10.379 -2.923 1.00 0.00 C ATOM 0 H LEU A 6 2.513 -6.396 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 6 4.597 -8.154 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.631 -7.933 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.679 -9.166 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 6 2.193 -8.769 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.795 -10.790 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.137 -9.457 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.002 -10.798 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.224 -11.001 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.526 -11.012 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.344 -9.819 -2.768 1.00 0.00 H new ATOM 114 N CYS A 7 3.968 -5.617 -5.618 1.00 0.00 N ATOM 115 CA CYS A 7 4.281 -4.893 -6.839 1.00 0.00 C ATOM 116 C CYS A 7 5.761 -4.532 -6.888 1.00 0.00 C ATOM 117 O CYS A 7 6.233 -3.975 -7.872 1.00 0.00 O ATOM 118 CB CYS A 7 3.436 -3.625 -6.948 1.00 0.00 C ATOM 119 SG CYS A 7 1.655 -3.925 -7.012 1.00 0.00 S ATOM 0 H CYS A 7 3.703 -5.026 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 7 4.049 -5.544 -7.682 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.654 -2.982 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.734 -3.079 -7.843 1.00 0.00 H new ATOM 0 HG CYS A 7 1.021 -2.792 -6.939 1.00 0.00 H new ATOM 125 N LEU A 8 6.491 -4.847 -5.820 1.00 0.00 N ATOM 126 CA LEU A 8 7.899 -4.489 -5.728 1.00 0.00 C ATOM 127 C LEU A 8 8.701 -5.077 -6.877 1.00 0.00 C ATOM 128 O LEU A 8 8.485 -6.218 -7.287 1.00 0.00 O ATOM 129 CB LEU A 8 8.500 -4.957 -4.401 1.00 0.00 C ATOM 130 CG LEU A 8 8.065 -4.166 -3.170 1.00 0.00 C ATOM 131 CD1 LEU A 8 8.732 -4.719 -1.922 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.393 -2.690 -3.342 1.00 0.00 C ATOM 0 H LEU A 8 6.129 -5.349 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 8 7.953 -3.402 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.236 -6.004 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.586 -4.910 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 8 6.986 -4.267 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.412 -4.144 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.449 -5.763 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.815 -4.647 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.076 -2.141 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.468 -2.570 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.870 -2.301 -4.216 1.00 0.00 H new ATOM 144 N SER A 9 9.636 -4.289 -7.385 1.00 0.00 N ATOM 145 CA SER A 9 10.559 -4.752 -8.406 1.00 0.00 C ATOM 146 C SER A 9 11.436 -5.869 -7.844 1.00 0.00 C ATOM 147 O SER A 9 12.026 -6.656 -8.585 1.00 0.00 O ATOM 148 CB SER A 9 11.413 -3.577 -8.881 1.00 0.00 C ATOM 149 OG SER A 9 10.595 -2.450 -9.159 1.00 0.00 O ATOM 0 H SER A 9 9.775 -3.319 -7.103 1.00 0.00 H new ATOM 0 HA SER A 9 10.003 -5.150 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.148 -3.321 -8.118 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.968 -3.861 -9.775 1.00 0.00 H new ATOM 0 HG SER A 9 11.156 -1.705 -9.460 1.00 0.00 H new ATOM 155 N SER A 10 11.483 -5.945 -6.517 1.00 0.00 N ATOM 156 CA SER A 10 12.228 -6.981 -5.817 1.00 0.00 C ATOM 157 C SER A 10 11.414 -8.273 -5.774 1.00 0.00 C ATOM 158 O SER A 10 11.911 -9.329 -5.386 1.00 0.00 O ATOM 159 CB SER A 10 12.540 -6.507 -4.399 1.00 0.00 C ATOM 160 OG SER A 10 13.010 -5.170 -4.412 1.00 0.00 O ATOM 0 H SER A 10 11.005 -5.289 -5.899 1.00 0.00 H new ATOM 0 HA SER A 10 13.161 -7.177 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.645 -6.578 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.290 -7.157 -3.949 1.00 0.00 H new ATOM 0 HG SER A 10 13.203 -4.882 -3.495 1.00 0.00 H new ATOM 166 N GLU A 11 10.151 -8.169 -6.169 1.00 0.00 N ATOM 167 CA GLU A 11 9.256 -9.313 -6.215 1.00 0.00 C ATOM 168 C GLU A 11 9.100 -9.819 -7.642 1.00 0.00 C ATOM 169 O GLU A 11 8.405 -10.804 -7.892 1.00 0.00 O ATOM 170 CB GLU A 11 7.890 -8.941 -5.634 1.00 0.00 C ATOM 171 CG GLU A 11 7.826 -9.052 -4.122 1.00 0.00 C ATOM 172 CD GLU A 11 8.094 -10.466 -3.655 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.243 -11.343 -3.907 1.00 0.00 O ATOM 174 OE2 GLU A 11 9.165 -10.711 -3.060 1.00 0.00 O ATOM 0 H GLU A 11 9.722 -7.292 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 11 9.690 -10.111 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.645 -7.920 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.130 -9.588 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.556 -8.376 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.843 -8.734 -3.775 1.00 0.00 H new ATOM 181 N GLY A 12 9.756 -9.137 -8.573 1.00 0.00 N ATOM 182 CA GLY A 12 9.704 -9.538 -9.963 1.00 0.00 C ATOM 183 C GLY A 12 8.554 -8.904 -10.718 1.00 0.00 C ATOM 184 O GLY A 12 8.150 -9.396 -11.770 1.00 0.00 O ATOM 0 H GLY A 12 10.325 -8.311 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.642 -9.270 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.615 -10.623 -10.020 1.00 0.00 H new ATOM 188 N SER A 13 8.019 -7.812 -10.187 1.00 0.00 N ATOM 189 CA SER A 13 6.931 -7.115 -10.849 1.00 0.00 C ATOM 190 C SER A 13 7.478 -5.941 -11.661 1.00 0.00 C ATOM 191 O SER A 13 8.332 -5.187 -11.187 1.00 0.00 O ATOM 192 CB SER A 13 5.900 -6.627 -9.827 1.00 0.00 C ATOM 193 OG SER A 13 4.690 -6.257 -10.460 1.00 0.00 O ATOM 0 H SER A 13 8.320 -7.395 -9.306 1.00 0.00 H new ATOM 0 HA SER A 13 6.434 -7.809 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.707 -7.413 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.302 -5.775 -9.279 1.00 0.00 H new ATOM 0 HG SER A 13 4.633 -6.692 -11.336 1.00 0.00 H new ATOM 199 N GLU A 14 6.994 -5.806 -12.888 1.00 0.00 N ATOM 200 CA GLU A 14 7.438 -4.744 -13.779 1.00 0.00 C ATOM 201 C GLU A 14 6.252 -3.912 -14.238 1.00 0.00 C ATOM 202 O GLU A 14 5.145 -4.433 -14.398 1.00 0.00 O ATOM 203 CB GLU A 14 8.139 -5.328 -15.008 1.00 0.00 C ATOM 204 CG GLU A 14 9.383 -6.138 -14.694 1.00 0.00 C ATOM 205 CD GLU A 14 9.998 -6.741 -15.939 1.00 0.00 C ATOM 206 OE1 GLU A 14 9.560 -7.839 -16.347 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.909 -6.119 -16.521 1.00 0.00 O ATOM 0 H GLU A 14 6.289 -6.423 -13.291 1.00 0.00 H new ATOM 0 HA GLU A 14 8.138 -4.115 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.434 -5.961 -15.546 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.411 -4.512 -15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.116 -5.500 -14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.130 -6.934 -13.993 1.00 0.00 H new ATOM 214 N VAL A 15 6.480 -2.625 -14.451 1.00 0.00 N ATOM 215 CA VAL A 15 5.445 -1.759 -14.983 1.00 0.00 C ATOM 216 C VAL A 15 5.583 -1.622 -16.496 1.00 0.00 C ATOM 217 O VAL A 15 6.494 -0.968 -17.010 1.00 0.00 O ATOM 218 CB VAL A 15 5.436 -0.366 -14.313 1.00 0.00 C ATOM 219 CG1 VAL A 15 4.879 -0.466 -12.904 1.00 0.00 C ATOM 220 CG2 VAL A 15 6.828 0.251 -14.292 1.00 0.00 C ATOM 0 H VAL A 15 7.369 -2.161 -14.264 1.00 0.00 H new ATOM 0 HA VAL A 15 4.489 -2.231 -14.754 1.00 0.00 H new ATOM 0 HB VAL A 15 4.793 0.287 -14.904 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.878 0.521 -12.442 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.860 -0.850 -12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.499 -1.141 -12.315 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.785 1.230 -13.814 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.504 -0.396 -13.734 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.192 0.362 -15.313 1.00 0.00 H new ATOM 230 N ILE A 16 4.682 -2.277 -17.200 1.00 0.00 N ATOM 231 CA ILE A 16 4.663 -2.267 -18.650 1.00 0.00 C ATOM 232 C ILE A 16 3.685 -1.195 -19.138 1.00 0.00 C ATOM 233 O ILE A 16 2.851 -0.715 -18.359 1.00 0.00 O ATOM 234 CB ILE A 16 4.261 -3.670 -19.192 1.00 0.00 C ATOM 235 CG1 ILE A 16 4.315 -3.724 -20.722 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.878 -4.065 -18.697 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.853 -5.048 -21.299 1.00 0.00 C ATOM 0 H ILE A 16 3.938 -2.835 -16.780 1.00 0.00 H new ATOM 0 HA ILE A 16 5.659 -2.033 -19.025 1.00 0.00 H new ATOM 0 HB ILE A 16 4.988 -4.386 -18.808 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.695 -2.924 -21.128 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.337 -3.532 -21.048 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.619 -5.049 -19.088 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.877 -4.096 -17.607 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.146 -3.334 -19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.918 -5.014 -22.386 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.488 -5.850 -20.923 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.820 -5.233 -21.003 1.00 0.00 H new ATOM 249 N LEU A 17 3.820 -0.802 -20.404 1.00 0.00 N ATOM 250 CA LEU A 17 2.920 0.153 -21.044 1.00 0.00 C ATOM 251 C LEU A 17 3.220 1.581 -20.582 1.00 0.00 C ATOM 252 O LEU A 17 4.196 2.183 -21.031 1.00 0.00 O ATOM 253 CB LEU A 17 1.452 -0.203 -20.759 1.00 0.00 C ATOM 254 CG LEU A 17 0.425 0.451 -21.675 1.00 0.00 C ATOM 255 CD1 LEU A 17 0.138 -0.450 -22.862 1.00 0.00 C ATOM 256 CD2 LEU A 17 -0.849 0.761 -20.908 1.00 0.00 C ATOM 0 H LEU A 17 4.562 -1.140 -21.017 1.00 0.00 H new ATOM 0 HA LEU A 17 3.086 0.098 -22.120 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.339 -1.285 -20.830 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.223 0.074 -19.730 1.00 0.00 H new ATOM 0 HG LEU A 17 0.831 1.392 -22.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.597 0.026 -23.511 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.058 -0.620 -23.420 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.254 -1.404 -22.509 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.572 1.228 -21.577 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.268 -0.163 -20.509 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.623 1.441 -20.087 1.00 0.00 H new ATOM 268 N ALA A 18 2.397 2.084 -19.656 1.00 0.00 N ATOM 269 CA ALA A 18 2.489 3.458 -19.152 1.00 0.00 C ATOM 270 C ALA A 18 2.325 4.493 -20.270 1.00 0.00 C ATOM 271 O ALA A 18 3.182 4.637 -21.141 1.00 0.00 O ATOM 272 CB ALA A 18 3.792 3.672 -18.395 1.00 0.00 C ATOM 0 H ALA A 18 1.642 1.545 -19.232 1.00 0.00 H new ATOM 0 HA ALA A 18 1.662 3.604 -18.458 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.837 4.698 -18.031 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.839 2.985 -17.550 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.635 3.486 -19.061 1.00 0.00 H new ATOM 278 N THR A 19 1.211 5.218 -20.234 1.00 0.00 N ATOM 279 CA THR A 19 0.912 6.240 -21.237 1.00 0.00 C ATOM 280 C THR A 19 2.001 7.317 -21.294 1.00 0.00 C ATOM 281 O THR A 19 2.232 7.926 -22.337 1.00 0.00 O ATOM 282 CB THR A 19 -0.451 6.906 -20.949 1.00 0.00 C ATOM 283 OG1 THR A 19 -1.465 5.902 -20.813 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.842 7.870 -22.060 1.00 0.00 C ATOM 0 H THR A 19 0.494 5.117 -19.516 1.00 0.00 H new ATOM 0 HA THR A 19 0.875 5.736 -22.203 1.00 0.00 H new ATOM 0 HB THR A 19 -0.359 7.469 -20.020 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.347 6.307 -20.948 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.806 8.322 -21.827 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.087 8.651 -22.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.914 7.328 -23.003 1.00 0.00 H new ATOM 292 N SER A 20 2.673 7.550 -20.177 1.00 0.00 N ATOM 293 CA SER A 20 3.718 8.557 -20.135 1.00 0.00 C ATOM 294 C SER A 20 4.933 8.068 -19.363 1.00 0.00 C ATOM 295 O SER A 20 5.094 8.363 -18.182 1.00 0.00 O ATOM 296 CB SER A 20 3.189 9.855 -19.528 1.00 0.00 C ATOM 297 OG SER A 20 2.126 10.379 -20.304 1.00 0.00 O ATOM 0 H SER A 20 2.515 7.060 -19.296 1.00 0.00 H new ATOM 0 HA SER A 20 4.031 8.751 -21.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.845 9.672 -18.510 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.994 10.587 -19.466 1.00 0.00 H new ATOM 0 HG SER A 20 2.102 11.354 -20.210 1.00 0.00 H new ATOM 303 N SER A 21 5.769 7.292 -20.027 1.00 0.00 N ATOM 304 CA SER A 21 7.037 6.893 -19.455 1.00 0.00 C ATOM 305 C SER A 21 8.098 7.910 -19.839 1.00 0.00 C ATOM 306 O SER A 21 8.265 8.228 -21.020 1.00 0.00 O ATOM 307 CB SER A 21 7.435 5.505 -19.946 1.00 0.00 C ATOM 308 OG SER A 21 6.398 4.568 -19.718 1.00 0.00 O ATOM 0 H SER A 21 5.591 6.927 -20.963 1.00 0.00 H new ATOM 0 HA SER A 21 6.944 6.854 -18.370 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.666 5.545 -21.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.341 5.181 -19.435 1.00 0.00 H new ATOM 0 HG SER A 21 6.677 3.686 -20.043 1.00 0.00 H new ATOM 314 N ASP A 22 8.800 8.430 -18.851 1.00 0.00 N ATOM 315 CA ASP A 22 9.801 9.450 -19.103 1.00 0.00 C ATOM 316 C ASP A 22 11.165 8.795 -19.305 1.00 0.00 C ATOM 317 O ASP A 22 11.459 7.762 -18.708 1.00 0.00 O ATOM 318 CB ASP A 22 9.842 10.447 -17.944 1.00 0.00 C ATOM 319 CG ASP A 22 10.656 11.675 -18.275 1.00 0.00 C ATOM 320 OD1 ASP A 22 11.893 11.583 -18.279 1.00 0.00 O ATOM 321 OD2 ASP A 22 10.063 12.735 -18.557 1.00 0.00 O ATOM 0 H ASP A 22 8.697 8.165 -17.871 1.00 0.00 H new ATOM 0 HA ASP A 22 9.539 9.995 -20.010 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.825 10.745 -17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.263 9.961 -17.064 1.00 0.00 H new ATOM 326 N GLU A 23 11.982 9.398 -20.156 1.00 0.00 N ATOM 327 CA GLU A 23 13.248 8.802 -20.563 1.00 0.00 C ATOM 328 C GLU A 23 14.392 9.266 -19.661 1.00 0.00 C ATOM 329 O GLU A 23 15.369 8.544 -19.461 1.00 0.00 O ATOM 330 CB GLU A 23 13.527 9.169 -22.023 1.00 0.00 C ATOM 331 CG GLU A 23 14.060 8.022 -22.871 1.00 0.00 C ATOM 332 CD GLU A 23 15.503 7.675 -22.572 1.00 0.00 C ATOM 333 OE1 GLU A 23 16.397 8.439 -22.995 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.750 6.635 -21.928 1.00 0.00 O ATOM 0 H GLU A 23 11.790 10.305 -20.581 1.00 0.00 H new ATOM 0 HA GLU A 23 13.178 7.719 -20.467 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.606 9.540 -22.474 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.246 9.987 -22.048 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.440 7.140 -22.707 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.968 8.285 -23.925 1.00 0.00 H new ATOM 341 N LYS A 24 14.269 10.468 -19.106 1.00 0.00 N ATOM 342 CA LYS A 24 15.298 10.998 -18.218 1.00 0.00 C ATOM 343 C LYS A 24 14.999 10.579 -16.787 1.00 0.00 C ATOM 344 O LYS A 24 15.905 10.420 -15.965 1.00 0.00 O ATOM 345 CB LYS A 24 15.404 12.526 -18.335 1.00 0.00 C ATOM 346 CG LYS A 24 14.137 13.267 -17.948 1.00 0.00 C ATOM 347 CD LYS A 24 14.199 14.738 -18.316 1.00 0.00 C ATOM 348 CE LYS A 24 12.861 15.422 -18.070 1.00 0.00 C ATOM 349 NZ LYS A 24 11.763 14.808 -18.870 1.00 0.00 N ATOM 0 H LYS A 24 13.474 11.089 -19.254 1.00 0.00 H new ATOM 0 HA LYS A 24 16.263 10.586 -18.515 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.222 12.872 -17.703 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.664 12.784 -19.362 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.283 12.806 -18.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.974 13.169 -16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.975 15.230 -17.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.477 14.842 -19.365 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.614 15.363 -17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.943 16.480 -18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.056 15.534 -19.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.154 14.409 -19.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.312 14.052 -18.317 1.00 0.00 H new ATOM 363 N HIS A 25 13.716 10.396 -16.493 1.00 0.00 N ATOM 364 CA HIS A 25 13.305 9.828 -15.221 1.00 0.00 C ATOM 365 C HIS A 25 12.315 8.699 -15.464 1.00 0.00 C ATOM 366 O HIS A 25 11.105 8.919 -15.497 1.00 0.00 O ATOM 367 CB HIS A 25 12.678 10.880 -14.301 1.00 0.00 C ATOM 368 CG HIS A 25 12.915 10.582 -12.855 1.00 0.00 C ATOM 369 ND1 HIS A 25 13.826 11.270 -12.087 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.380 9.639 -12.047 1.00 0.00 C ATOM 371 CE1 HIS A 25 13.847 10.761 -10.872 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.978 9.766 -10.816 1.00 0.00 N ATOM 0 H HIS A 25 12.947 10.633 -17.119 1.00 0.00 H new ATOM 0 HA HIS A 25 14.195 9.444 -14.723 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.090 11.860 -14.540 1.00 0.00 H new ATOM 0 HB3 HIS A 25 11.605 10.931 -14.488 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.622 8.919 -12.319 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.470 11.100 -10.058 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.784 9.190 -9.997 1.00 0.00 H new ATOM 380 N PRO A 26 12.823 7.476 -15.650 1.00 0.00 N ATOM 381 CA PRO A 26 11.995 6.315 -15.985 1.00 0.00 C ATOM 382 C PRO A 26 11.001 5.961 -14.873 1.00 0.00 C ATOM 383 O PRO A 26 11.212 6.294 -13.704 1.00 0.00 O ATOM 384 CB PRO A 26 13.016 5.190 -16.188 1.00 0.00 C ATOM 385 CG PRO A 26 14.225 5.628 -15.437 1.00 0.00 C ATOM 386 CD PRO A 26 14.250 7.124 -15.542 1.00 0.00 C ATOM 0 HA PRO A 26 11.373 6.499 -16.861 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.638 4.241 -15.809 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.239 5.045 -17.245 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.175 5.310 -14.396 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.129 5.191 -15.861 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.713 7.582 -14.668 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.814 7.458 -16.413 1.00 0.00 H new ATOM 394 N PRO A 27 9.907 5.264 -15.233 1.00 0.00 N ATOM 395 CA PRO A 27 8.825 4.907 -14.300 1.00 0.00 C ATOM 396 C PRO A 27 9.247 3.896 -13.238 1.00 0.00 C ATOM 397 O PRO A 27 8.421 3.433 -12.462 1.00 0.00 O ATOM 398 CB PRO A 27 7.744 4.292 -15.203 1.00 0.00 C ATOM 399 CG PRO A 27 8.129 4.661 -16.592 1.00 0.00 C ATOM 400 CD PRO A 27 9.624 4.776 -16.588 1.00 0.00 C ATOM 0 HA PRO A 27 8.496 5.782 -13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.701 3.210 -15.082 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.757 4.680 -14.953 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.797 3.904 -17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.666 5.602 -16.889 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.104 3.817 -16.781 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.979 5.470 -17.350 1.00 0.00 H new ATOM 408 N GLU A 28 10.526 3.552 -13.201 1.00 0.00 N ATOM 409 CA GLU A 28 11.033 2.591 -12.226 1.00 0.00 C ATOM 410 C GLU A 28 10.791 3.082 -10.798 1.00 0.00 C ATOM 411 O GLU A 28 10.681 2.287 -9.869 1.00 0.00 O ATOM 412 CB GLU A 28 12.521 2.345 -12.455 1.00 0.00 C ATOM 413 CG GLU A 28 12.848 1.915 -13.873 1.00 0.00 C ATOM 414 CD GLU A 28 14.312 1.586 -14.058 1.00 0.00 C ATOM 415 OE1 GLU A 28 15.132 2.526 -14.146 1.00 0.00 O ATOM 416 OE2 GLU A 28 14.647 0.388 -14.123 1.00 0.00 O ATOM 0 H GLU A 28 11.234 3.923 -13.834 1.00 0.00 H new ATOM 0 HA GLU A 28 10.494 1.653 -12.359 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.073 3.256 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.866 1.578 -11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.248 1.043 -14.132 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.568 2.711 -14.564 1.00 0.00 H new ATOM 423 N ASN A 29 10.676 4.398 -10.641 1.00 0.00 N ATOM 424 CA ASN A 29 10.438 4.999 -9.331 1.00 0.00 C ATOM 425 C ASN A 29 8.966 4.938 -8.931 1.00 0.00 C ATOM 426 O ASN A 29 8.590 5.448 -7.877 1.00 0.00 O ATOM 427 CB ASN A 29 10.915 6.452 -9.300 1.00 0.00 C ATOM 428 CG ASN A 29 12.372 6.597 -8.898 1.00 0.00 C ATOM 429 OD1 ASN A 29 13.051 7.523 -9.335 1.00 0.00 O ATOM 430 ND2 ASN A 29 12.857 5.700 -8.049 1.00 0.00 N ATOM 0 H ASN A 29 10.744 5.070 -11.406 1.00 0.00 H new ATOM 0 HA ASN A 29 11.011 4.415 -8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.771 6.895 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.295 7.016 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.826 5.765 -7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.261 4.945 -7.709 1.00 0.00 H new ATOM 437 N ILE A 30 8.128 4.334 -9.772 1.00 0.00 N ATOM 438 CA ILE A 30 6.720 4.151 -9.426 1.00 0.00 C ATOM 439 C ILE A 30 6.579 2.955 -8.485 1.00 0.00 C ATOM 440 O ILE A 30 5.503 2.676 -7.950 1.00 0.00 O ATOM 441 CB ILE A 30 5.824 3.956 -10.675 1.00 0.00 C ATOM 442 CG1 ILE A 30 4.372 4.305 -10.344 1.00 0.00 C ATOM 443 CG2 ILE A 30 5.919 2.529 -11.199 1.00 0.00 C ATOM 444 CD1 ILE A 30 3.436 4.190 -11.525 1.00 0.00 C ATOM 0 H ILE A 30 8.395 3.968 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 30 6.380 5.060 -8.930 1.00 0.00 H new ATOM 0 HB ILE A 30 6.180 4.627 -11.457 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.022 3.647 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.331 5.323 -9.957 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.280 2.420 -12.076 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.951 2.310 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.594 1.835 -10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.425 4.453 -11.215 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.761 4.868 -12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.446 3.166 -11.899 1.00 0.00 H new ATOM 456 N ILE A 31 7.686 2.243 -8.310 1.00 0.00 N ATOM 457 CA ILE A 31 7.775 1.174 -7.332 1.00 0.00 C ATOM 458 C ILE A 31 9.123 1.269 -6.629 1.00 0.00 C ATOM 459 O ILE A 31 9.282 2.052 -5.691 1.00 0.00 O ATOM 460 CB ILE A 31 7.638 -0.230 -7.969 1.00 0.00 C ATOM 461 CG1 ILE A 31 6.447 -0.284 -8.932 1.00 0.00 C ATOM 462 CG2 ILE A 31 7.477 -1.275 -6.876 1.00 0.00 C ATOM 463 CD1 ILE A 31 6.387 -1.551 -9.757 1.00 0.00 C ATOM 0 H ILE A 31 8.543 2.393 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 31 6.949 1.296 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 31 8.542 -0.440 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.524 -0.190 -8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.495 0.574 -9.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.381 -2.262 -7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.351 -1.258 -6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.584 -1.055 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.518 -1.516 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.293 -1.638 -10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.307 -2.413 -9.095 1.00 0.00 H new ATOM 475 N ASP A 32 10.087 0.481 -7.121 1.00 0.00 N ATOM 476 CA ASP A 32 11.490 0.512 -6.679 1.00 0.00 C ATOM 477 C ASP A 32 11.664 0.000 -5.248 1.00 0.00 C ATOM 478 O ASP A 32 12.441 -0.923 -5.000 1.00 0.00 O ATOM 479 CB ASP A 32 12.073 1.923 -6.800 1.00 0.00 C ATOM 480 CG ASP A 32 13.585 1.929 -6.696 1.00 0.00 C ATOM 481 OD1 ASP A 32 14.113 1.827 -5.571 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.251 2.032 -7.747 1.00 0.00 O ATOM 0 H ASP A 32 9.912 -0.209 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 32 12.036 -0.161 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.775 2.357 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.654 2.556 -6.017 1.00 0.00 H new ATOM 487 N GLY A 33 10.916 0.576 -4.327 1.00 0.00 N ATOM 488 CA GLY A 33 11.093 0.283 -2.919 1.00 0.00 C ATOM 489 C GLY A 33 11.718 1.449 -2.180 1.00 0.00 C ATOM 490 O GLY A 33 11.550 1.590 -0.967 1.00 0.00 O ATOM 0 H GLY A 33 10.179 1.251 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.128 0.044 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.723 -0.599 -2.807 1.00 0.00 H new ATOM 494 N ASN A 34 12.439 2.290 -2.912 1.00 0.00 N ATOM 495 CA ASN A 34 13.029 3.493 -2.336 1.00 0.00 C ATOM 496 C ASN A 34 12.063 4.670 -2.435 1.00 0.00 C ATOM 497 O ASN A 34 11.536 4.964 -3.509 1.00 0.00 O ATOM 498 CB ASN A 34 14.343 3.852 -3.035 1.00 0.00 C ATOM 499 CG ASN A 34 15.548 3.200 -2.386 1.00 0.00 C ATOM 500 OD1 ASN A 34 15.961 2.104 -2.764 1.00 0.00 O ATOM 501 ND2 ASN A 34 16.125 3.875 -1.402 1.00 0.00 N ATOM 0 H ASN A 34 12.629 2.161 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 34 13.235 3.286 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.289 3.547 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.471 4.934 -3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.942 3.489 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.752 4.781 -1.118 1.00 0.00 H new ATOM 508 N PRO A 35 11.806 5.360 -1.310 1.00 0.00 N ATOM 509 CA PRO A 35 10.954 6.551 -1.283 1.00 0.00 C ATOM 510 C PRO A 35 11.686 7.812 -1.746 1.00 0.00 C ATOM 511 O PRO A 35 11.248 8.927 -1.468 1.00 0.00 O ATOM 512 CB PRO A 35 10.560 6.688 0.201 1.00 0.00 C ATOM 513 CG PRO A 35 11.178 5.522 0.908 1.00 0.00 C ATOM 514 CD PRO A 35 12.291 5.027 0.031 1.00 0.00 C ATOM 0 HA PRO A 35 10.106 6.446 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.922 7.630 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.476 6.684 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.558 5.819 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.441 4.737 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.236 5.522 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.456 3.956 0.149 1.00 0.00 H new ATOM 522 N GLU A 36 12.789 7.628 -2.466 1.00 0.00 N ATOM 523 CA GLU A 36 13.618 8.750 -2.903 1.00 0.00 C ATOM 524 C GLU A 36 12.859 9.642 -3.884 1.00 0.00 C ATOM 525 O GLU A 36 12.781 10.858 -3.704 1.00 0.00 O ATOM 526 CB GLU A 36 14.907 8.252 -3.566 1.00 0.00 C ATOM 527 CG GLU A 36 15.593 7.111 -2.829 1.00 0.00 C ATOM 528 CD GLU A 36 15.693 7.337 -1.335 1.00 0.00 C ATOM 529 OE1 GLU A 36 16.351 8.311 -0.916 1.00 0.00 O ATOM 530 OE2 GLU A 36 15.121 6.529 -0.579 1.00 0.00 O ATOM 0 H GLU A 36 13.131 6.713 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 36 13.873 9.331 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.677 7.927 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.604 9.086 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.045 6.187 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.595 6.975 -3.237 1.00 0.00 H new ATOM 537 N THR A 37 12.314 9.033 -4.926 1.00 0.00 N ATOM 538 CA THR A 37 11.574 9.766 -5.942 1.00 0.00 C ATOM 539 C THR A 37 10.356 8.953 -6.389 1.00 0.00 C ATOM 540 O THR A 37 10.061 7.908 -5.808 1.00 0.00 O ATOM 541 CB THR A 37 12.472 10.086 -7.158 1.00 0.00 C ATOM 542 OG1 THR A 37 13.822 10.288 -6.725 1.00 0.00 O ATOM 543 CG2 THR A 37 11.993 11.344 -7.873 1.00 0.00 C ATOM 0 H THR A 37 12.371 8.028 -5.091 1.00 0.00 H new ATOM 0 HA THR A 37 11.239 10.708 -5.509 1.00 0.00 H new ATOM 0 HB THR A 37 12.420 9.243 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.387 10.489 -7.500 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.642 11.548 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.971 11.197 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.023 12.188 -7.184 1.00 0.00 H new ATOM 551 N PHE A 38 9.661 9.428 -7.414 1.00 0.00 N ATOM 552 CA PHE A 38 8.438 8.790 -7.884 1.00 0.00 C ATOM 553 C PHE A 38 8.264 8.996 -9.388 1.00 0.00 C ATOM 554 O PHE A 38 9.116 9.604 -10.040 1.00 0.00 O ATOM 555 CB PHE A 38 7.233 9.369 -7.134 1.00 0.00 C ATOM 556 CG PHE A 38 7.237 10.875 -7.064 1.00 0.00 C ATOM 557 CD1 PHE A 38 6.918 11.641 -8.176 1.00 0.00 C ATOM 558 CD2 PHE A 38 7.567 11.524 -5.884 1.00 0.00 C ATOM 559 CE1 PHE A 38 6.931 13.021 -8.113 1.00 0.00 C ATOM 560 CE2 PHE A 38 7.580 12.904 -5.815 1.00 0.00 C ATOM 561 CZ PHE A 38 7.263 13.653 -6.930 1.00 0.00 C ATOM 0 H PHE A 38 9.926 10.261 -7.940 1.00 0.00 H new ATOM 0 HA PHE A 38 8.506 7.720 -7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.317 9.038 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.217 8.966 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.656 11.152 -9.103 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.817 10.944 -5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.682 13.605 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.838 13.396 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.274 14.732 -6.878 1.00 0.00 H new ATOM 571 N TRP A 39 7.165 8.487 -9.922 1.00 0.00 N ATOM 572 CA TRP A 39 6.794 8.723 -11.312 1.00 0.00 C ATOM 573 C TRP A 39 5.675 9.759 -11.356 1.00 0.00 C ATOM 574 O TRP A 39 4.698 9.659 -10.609 1.00 0.00 O ATOM 575 CB TRP A 39 6.356 7.407 -11.977 1.00 0.00 C ATOM 576 CG TRP A 39 5.745 7.565 -13.345 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.399 7.653 -14.547 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.345 7.636 -13.650 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.489 7.782 -15.567 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.226 7.774 -15.045 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.181 7.597 -12.880 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.992 7.877 -15.682 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.956 7.698 -13.512 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.870 7.835 -14.902 1.00 0.00 C ATOM 0 H TRP A 39 6.507 7.901 -9.409 1.00 0.00 H new ATOM 0 HA TRP A 39 7.653 9.103 -11.865 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.222 6.749 -12.055 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.635 6.910 -11.328 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.471 7.625 -14.673 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.719 7.870 -16.557 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.237 7.490 -11.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.924 7.986 -16.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.051 7.671 -12.924 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.898 7.909 -15.368 1.00 0.00 H new ATOM 595 N THR A 40 5.824 10.767 -12.201 1.00 0.00 N ATOM 596 CA THR A 40 4.820 11.815 -12.289 1.00 0.00 C ATOM 597 C THR A 40 4.176 11.829 -13.676 1.00 0.00 C ATOM 598 O THR A 40 4.674 11.201 -14.611 1.00 0.00 O ATOM 599 CB THR A 40 5.422 13.201 -11.951 1.00 0.00 C ATOM 600 OG1 THR A 40 4.385 14.181 -11.815 1.00 0.00 O ATOM 601 CG2 THR A 40 6.410 13.648 -13.018 1.00 0.00 C ATOM 0 H THR A 40 6.620 10.881 -12.828 1.00 0.00 H new ATOM 0 HA THR A 40 4.047 11.600 -11.551 1.00 0.00 H new ATOM 0 HB THR A 40 5.953 13.106 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.609 13.777 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.815 14.624 -12.752 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.222 12.925 -13.088 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.901 13.716 -13.980 1.00 0.00 H new ATOM 609 N THR A 41 3.061 12.534 -13.798 1.00 0.00 N ATOM 610 CA THR A 41 2.308 12.569 -15.039 1.00 0.00 C ATOM 611 C THR A 41 2.793 13.698 -15.941 1.00 0.00 C ATOM 612 O THR A 41 3.317 14.701 -15.460 1.00 0.00 O ATOM 613 CB THR A 41 0.807 12.771 -14.755 1.00 0.00 C ATOM 614 OG1 THR A 41 0.604 14.028 -14.103 1.00 0.00 O ATOM 615 CG2 THR A 41 0.266 11.650 -13.878 1.00 0.00 C ATOM 0 H THR A 41 2.657 13.092 -13.046 1.00 0.00 H new ATOM 0 HA THR A 41 2.463 11.615 -15.543 1.00 0.00 H new ATOM 0 HB THR A 41 0.272 12.758 -15.705 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.124 14.512 -14.546 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.795 11.814 -13.691 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.402 10.694 -14.384 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.804 11.638 -12.930 1.00 0.00 H new ATOM 623 N THR A 42 2.607 13.538 -17.245 1.00 0.00 N ATOM 624 CA THR A 42 2.931 14.596 -18.188 1.00 0.00 C ATOM 625 C THR A 42 1.780 15.590 -18.256 1.00 0.00 C ATOM 626 O THR A 42 1.972 16.781 -18.493 1.00 0.00 O ATOM 627 CB THR A 42 3.198 14.030 -19.596 1.00 0.00 C ATOM 628 OG1 THR A 42 2.096 13.204 -20.005 1.00 0.00 O ATOM 629 CG2 THR A 42 4.489 13.224 -19.623 1.00 0.00 C ATOM 0 H THR A 42 2.235 12.689 -17.671 1.00 0.00 H new ATOM 0 HA THR A 42 3.836 15.093 -17.840 1.00 0.00 H new ATOM 0 HB THR A 42 3.302 14.865 -20.289 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.516 13.028 -19.235 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.654 12.836 -20.628 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.324 13.865 -19.340 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.414 12.394 -18.921 1.00 0.00 H new ATOM 637 N GLY A 43 0.581 15.080 -18.023 1.00 0.00 N ATOM 638 CA GLY A 43 -0.604 15.901 -18.096 1.00 0.00 C ATOM 639 C GLY A 43 -1.510 15.458 -19.218 1.00 0.00 C ATOM 640 O GLY A 43 -2.614 15.976 -19.384 1.00 0.00 O ATOM 0 H GLY A 43 0.409 14.104 -17.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.143 15.851 -17.150 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.319 16.942 -18.246 1.00 0.00 H new ATOM 644 N MET A 44 -1.043 14.482 -19.984 1.00 0.00 N ATOM 645 CA MET A 44 -1.814 13.942 -21.091 1.00 0.00 C ATOM 646 C MET A 44 -2.756 12.851 -20.596 1.00 0.00 C ATOM 647 O MET A 44 -2.568 11.667 -20.882 1.00 0.00 O ATOM 648 CB MET A 44 -0.884 13.392 -22.177 1.00 0.00 C ATOM 649 CG MET A 44 0.045 14.439 -22.772 1.00 0.00 C ATOM 650 SD MET A 44 -0.843 15.761 -23.619 1.00 0.00 S ATOM 651 CE MET A 44 0.513 16.852 -24.047 1.00 0.00 C ATOM 0 H MET A 44 -0.129 14.047 -19.857 1.00 0.00 H new ATOM 0 HA MET A 44 -2.409 14.747 -21.523 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.285 12.585 -21.756 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.487 12.959 -22.975 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.656 14.869 -21.978 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.726 13.957 -23.474 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.126 17.722 -24.579 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.019 17.178 -23.138 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.220 16.321 -24.685 1.00 0.00 H new ATOM 661 N PHE A 45 -3.752 13.259 -19.823 1.00 0.00 N ATOM 662 CA PHE A 45 -4.741 12.334 -19.290 1.00 0.00 C ATOM 663 C PHE A 45 -5.738 11.934 -20.376 1.00 0.00 C ATOM 664 O PHE A 45 -5.973 12.694 -21.316 1.00 0.00 O ATOM 665 CB PHE A 45 -5.481 12.963 -18.104 1.00 0.00 C ATOM 666 CG PHE A 45 -4.615 13.207 -16.900 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.352 12.185 -16.002 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.069 14.458 -16.663 1.00 0.00 C ATOM 669 CE1 PHE A 45 -3.560 12.406 -14.892 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.276 14.685 -15.554 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.021 13.658 -14.668 1.00 0.00 C ATOM 0 H PHE A 45 -3.897 14.231 -19.550 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.221 11.440 -18.944 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.917 13.910 -18.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.307 12.312 -17.818 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.771 11.204 -16.172 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.265 15.265 -17.353 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.362 11.601 -14.200 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.856 15.665 -15.381 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.401 13.833 -13.801 1.00 0.00 H new ATOM 681 N PRO A 46 -6.341 10.741 -20.266 1.00 0.00 N ATOM 682 CA PRO A 46 -6.084 9.808 -19.167 1.00 0.00 C ATOM 683 C PRO A 46 -4.794 9.015 -19.360 1.00 0.00 C ATOM 684 O PRO A 46 -4.488 8.560 -20.465 1.00 0.00 O ATOM 685 CB PRO A 46 -7.294 8.875 -19.220 1.00 0.00 C ATOM 686 CG PRO A 46 -7.702 8.862 -20.653 1.00 0.00 C ATOM 687 CD PRO A 46 -7.340 10.213 -21.215 1.00 0.00 C ATOM 0 HA PRO A 46 -5.957 10.323 -18.215 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.037 7.874 -18.873 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.101 9.237 -18.582 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.190 8.067 -21.195 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.772 8.676 -20.750 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.929 10.129 -22.221 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.212 10.864 -21.280 1.00 0.00 H new ATOM 695 N GLN A 47 -4.038 8.852 -18.284 1.00 0.00 N ATOM 696 CA GLN A 47 -2.803 8.087 -18.342 1.00 0.00 C ATOM 697 C GLN A 47 -2.987 6.765 -17.618 1.00 0.00 C ATOM 698 O GLN A 47 -3.486 6.731 -16.495 1.00 0.00 O ATOM 699 CB GLN A 47 -1.636 8.844 -17.705 1.00 0.00 C ATOM 700 CG GLN A 47 -1.561 10.318 -18.067 1.00 0.00 C ATOM 701 CD GLN A 47 -0.234 10.933 -17.667 1.00 0.00 C ATOM 702 OE1 GLN A 47 0.200 11.940 -18.223 1.00 0.00 O ATOM 703 NE2 GLN A 47 0.442 10.305 -16.718 1.00 0.00 N ATOM 0 H GLN A 47 -4.257 9.237 -17.365 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.569 7.918 -19.393 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.710 8.753 -16.621 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.704 8.363 -18.002 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.706 10.436 -19.141 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.372 10.854 -17.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.050 9.472 -16.279 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.355 10.654 -16.426 1.00 0.00 H new ATOM 712 N GLU A 48 -2.587 5.685 -18.256 1.00 0.00 N ATOM 713 CA GLU A 48 -2.720 4.366 -17.667 1.00 0.00 C ATOM 714 C GLU A 48 -1.373 3.661 -17.620 1.00 0.00 C ATOM 715 O GLU A 48 -0.456 4.004 -18.370 1.00 0.00 O ATOM 716 CB GLU A 48 -3.716 3.531 -18.471 1.00 0.00 C ATOM 717 CG GLU A 48 -3.344 3.400 -19.939 1.00 0.00 C ATOM 718 CD GLU A 48 -4.248 2.450 -20.687 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.106 1.229 -20.503 1.00 0.00 O ATOM 720 OE2 GLU A 48 -5.091 2.917 -21.478 1.00 0.00 O ATOM 0 H GLU A 48 -2.166 5.693 -19.185 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.088 4.480 -16.647 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.784 2.536 -18.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.705 3.983 -18.393 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.387 4.382 -20.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.314 3.053 -20.019 1.00 0.00 H new ATOM 727 N PHE A 49 -1.251 2.697 -16.724 1.00 0.00 N ATOM 728 CA PHE A 49 -0.065 1.859 -16.655 1.00 0.00 C ATOM 729 C PHE A 49 -0.443 0.468 -16.171 1.00 0.00 C ATOM 730 O PHE A 49 -1.362 0.307 -15.365 1.00 0.00 O ATOM 731 CB PHE A 49 1.014 2.485 -15.756 1.00 0.00 C ATOM 732 CG PHE A 49 0.567 2.806 -14.354 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.012 4.032 -14.061 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.739 1.890 -13.328 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.408 4.337 -12.774 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.341 2.189 -12.040 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.232 3.414 -11.762 1.00 0.00 C ATOM 0 H PHE A 49 -1.964 2.474 -16.029 1.00 0.00 H new ATOM 0 HA PHE A 49 0.359 1.779 -17.656 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.862 1.803 -15.703 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.371 3.401 -16.226 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.155 4.757 -14.849 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.190 0.931 -13.538 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.855 5.296 -12.559 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.478 1.465 -11.250 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.542 3.650 -10.755 1.00 0.00 H new ATOM 747 N ILE A 50 0.252 -0.534 -16.683 1.00 0.00 N ATOM 748 CA ILE A 50 -0.077 -1.917 -16.389 1.00 0.00 C ATOM 749 C ILE A 50 1.045 -2.572 -15.594 1.00 0.00 C ATOM 750 O ILE A 50 2.166 -2.684 -16.070 1.00 0.00 O ATOM 751 CB ILE A 50 -0.316 -2.708 -17.698 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.440 -2.062 -18.513 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.649 -4.162 -17.400 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.676 -2.721 -19.858 1.00 0.00 C ATOM 0 H ILE A 50 1.050 -0.414 -17.306 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.991 -1.930 -15.795 1.00 0.00 H new ATOM 0 HB ILE A 50 0.603 -2.682 -18.284 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.363 -2.098 -17.934 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.203 -1.010 -18.671 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.813 -4.697 -18.336 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.178 -4.621 -16.859 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.552 -4.211 -16.791 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.486 -2.209 -20.377 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.767 -2.662 -20.457 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.945 -3.767 -19.709 1.00 0.00 H new ATOM 766 N ILE A 51 0.750 -2.989 -14.380 1.00 0.00 N ATOM 767 CA ILE A 51 1.740 -3.665 -13.562 1.00 0.00 C ATOM 768 C ILE A 51 1.611 -5.171 -13.733 1.00 0.00 C ATOM 769 O ILE A 51 0.541 -5.742 -13.513 1.00 0.00 O ATOM 770 CB ILE A 51 1.605 -3.315 -12.065 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.557 -1.798 -11.864 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.768 -3.909 -11.284 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.500 -1.389 -10.408 1.00 0.00 C ATOM 0 H ILE A 51 -0.162 -2.873 -13.938 1.00 0.00 H new ATOM 0 HA ILE A 51 2.719 -3.324 -13.899 1.00 0.00 H new ATOM 0 HB ILE A 51 0.672 -3.740 -11.695 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.436 -1.349 -12.326 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.685 -1.397 -12.381 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.664 -3.657 -10.229 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.768 -4.993 -11.400 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.706 -3.503 -11.663 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.468 -0.302 -10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.606 -1.810 -9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.385 -1.761 -9.891 1.00 0.00 H new ATOM 785 N CYS A 52 2.695 -5.804 -14.144 1.00 0.00 N ATOM 786 CA CYS A 52 2.710 -7.242 -14.327 1.00 0.00 C ATOM 787 C CYS A 52 3.423 -7.912 -13.163 1.00 0.00 C ATOM 788 O CYS A 52 4.594 -7.629 -12.899 1.00 0.00 O ATOM 789 CB CYS A 52 3.400 -7.609 -15.641 1.00 0.00 C ATOM 790 SG CYS A 52 3.550 -9.389 -15.917 1.00 0.00 S ATOM 0 H CYS A 52 3.579 -5.342 -14.358 1.00 0.00 H new ATOM 0 HA CYS A 52 1.679 -7.595 -14.364 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.843 -7.169 -16.468 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.395 -7.164 -15.654 1.00 0.00 H new ATOM 0 HG CYS A 52 2.656 -9.771 -16.779 1.00 0.00 H new ATOM 796 N PHE A 53 2.717 -8.790 -12.468 1.00 0.00 N ATOM 797 CA PHE A 53 3.294 -9.519 -11.347 1.00 0.00 C ATOM 798 C PHE A 53 4.195 -10.642 -11.840 1.00 0.00 C ATOM 799 O PHE A 53 5.095 -11.085 -11.127 1.00 0.00 O ATOM 800 CB PHE A 53 2.193 -10.097 -10.458 1.00 0.00 C ATOM 801 CG PHE A 53 1.381 -9.052 -9.749 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.826 -8.505 -8.557 1.00 0.00 C ATOM 803 CD2 PHE A 53 0.176 -8.616 -10.274 1.00 0.00 C ATOM 804 CE1 PHE A 53 1.083 -7.546 -7.900 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.571 -7.656 -9.621 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.115 -7.118 -8.434 1.00 0.00 C ATOM 0 H PHE A 53 1.741 -9.016 -12.660 1.00 0.00 H new ATOM 0 HA PHE A 53 3.891 -8.818 -10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.529 -10.709 -11.068 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.645 -10.758 -9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.765 -8.833 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.183 -9.031 -11.204 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.439 -7.131 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.511 -7.326 -10.038 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.695 -6.363 -7.924 1.00 0.00 H new ATOM 816 N HIS A 54 3.934 -11.098 -13.069 1.00 0.00 N ATOM 817 CA HIS A 54 4.645 -12.236 -13.666 1.00 0.00 C ATOM 818 C HIS A 54 4.348 -13.532 -12.912 1.00 0.00 C ATOM 819 O HIS A 54 4.937 -14.568 -13.200 1.00 0.00 O ATOM 820 CB HIS A 54 6.166 -12.009 -13.705 1.00 0.00 C ATOM 821 CG HIS A 54 6.631 -11.031 -14.744 1.00 0.00 C ATOM 822 ND1 HIS A 54 6.749 -11.351 -16.077 1.00 0.00 N ATOM 823 CD2 HIS A 54 7.042 -9.746 -14.633 1.00 0.00 C ATOM 824 CE1 HIS A 54 7.215 -10.310 -16.740 1.00 0.00 C ATOM 825 NE2 HIS A 54 7.405 -9.318 -15.889 1.00 0.00 N ATOM 0 H HIS A 54 3.225 -10.690 -13.678 1.00 0.00 H new ATOM 0 HA HIS A 54 4.282 -12.323 -14.690 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.492 -11.659 -12.726 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.657 -12.966 -13.881 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.078 -9.163 -13.724 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.409 -10.275 -17.802 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.761 -8.391 -16.123 1.00 0.00 H new ATOM 833 N LYS A 55 3.423 -13.470 -11.964 1.00 0.00 N ATOM 834 CA LYS A 55 3.109 -14.609 -11.113 1.00 0.00 C ATOM 835 C LYS A 55 1.689 -14.482 -10.577 1.00 0.00 C ATOM 836 O LYS A 55 1.066 -13.427 -10.707 1.00 0.00 O ATOM 837 CB LYS A 55 4.112 -14.689 -9.954 1.00 0.00 C ATOM 838 CG LYS A 55 4.117 -13.454 -9.066 1.00 0.00 C ATOM 839 CD LYS A 55 5.304 -13.452 -8.119 1.00 0.00 C ATOM 840 CE LYS A 55 5.291 -12.232 -7.212 1.00 0.00 C ATOM 841 NZ LYS A 55 6.529 -12.135 -6.396 1.00 0.00 N ATOM 0 H LYS A 55 2.873 -12.635 -11.764 1.00 0.00 H new ATOM 0 HA LYS A 55 3.180 -15.524 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.882 -15.563 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.112 -14.838 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.145 -12.559 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.192 -13.415 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.289 -14.358 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.230 -13.469 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.183 -11.331 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.424 -12.279 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.346 -11.549 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.823 -13.087 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.285 -11.702 -6.963 1.00 0.00 H new ATOM 855 N HIS A 56 1.184 -15.547 -9.969 1.00 0.00 N ATOM 856 CA HIS A 56 -0.173 -15.538 -9.444 1.00 0.00 C ATOM 857 C HIS A 56 -0.160 -15.244 -7.949 1.00 0.00 C ATOM 858 O HIS A 56 0.200 -16.099 -7.135 1.00 0.00 O ATOM 859 CB HIS A 56 -0.867 -16.877 -9.714 1.00 0.00 C ATOM 860 CG HIS A 56 -2.335 -16.874 -9.406 1.00 0.00 C ATOM 861 ND1 HIS A 56 -3.303 -16.881 -10.382 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.998 -16.869 -8.225 1.00 0.00 C ATOM 863 CE1 HIS A 56 -4.495 -16.882 -9.820 1.00 0.00 C ATOM 864 NE2 HIS A 56 -4.341 -16.877 -8.509 1.00 0.00 N ATOM 0 H HIS A 56 1.690 -16.422 -9.828 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.731 -14.752 -9.952 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.726 -17.143 -10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.383 -17.652 -9.120 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.552 -16.860 -7.241 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.439 -16.886 -10.344 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.094 -16.879 -7.821 1.00 0.00 H new ATOM 872 N VAL A 57 -0.555 -14.034 -7.594 1.00 0.00 N ATOM 873 CA VAL A 57 -0.584 -13.622 -6.201 1.00 0.00 C ATOM 874 C VAL A 57 -2.016 -13.402 -5.726 1.00 0.00 C ATOM 875 O VAL A 57 -2.912 -13.136 -6.528 1.00 0.00 O ATOM 876 CB VAL A 57 0.236 -12.333 -5.978 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.714 -12.594 -6.213 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.259 -11.213 -6.884 1.00 0.00 C ATOM 0 H VAL A 57 -0.861 -13.318 -8.253 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.135 -14.427 -5.619 1.00 0.00 H new ATOM 0 HB VAL A 57 0.101 -12.019 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.276 -11.674 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.063 -13.359 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.865 -12.936 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.334 -10.315 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.159 -11.517 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.306 -11.005 -6.666 1.00 0.00 H new ATOM 888 N ARG A 58 -2.227 -13.539 -4.425 1.00 0.00 N ATOM 889 CA ARG A 58 -3.526 -13.272 -3.832 1.00 0.00 C ATOM 890 C ARG A 58 -3.514 -11.894 -3.196 1.00 0.00 C ATOM 891 O ARG A 58 -2.816 -11.667 -2.207 1.00 0.00 O ATOM 892 CB ARG A 58 -3.880 -14.325 -2.778 1.00 0.00 C ATOM 893 CG ARG A 58 -5.316 -14.230 -2.285 1.00 0.00 C ATOM 894 CD ARG A 58 -5.587 -15.210 -1.155 1.00 0.00 C ATOM 895 NE ARG A 58 -4.905 -14.829 0.081 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.458 -15.696 0.986 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.615 -17.001 0.803 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.874 -15.247 2.089 1.00 0.00 N ATOM 0 H ARG A 58 -1.512 -13.834 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.280 -13.313 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.713 -15.317 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.205 -14.219 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.517 -13.215 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.999 -14.429 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.660 -15.265 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.263 -16.207 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.763 -13.835 0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.081 -17.346 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.269 -17.659 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.770 -14.243 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.529 -15.905 2.787 1.00 0.00 H new ATOM 912 N ILE A 59 -4.271 -10.979 -3.772 1.00 0.00 N ATOM 913 CA ILE A 59 -4.318 -9.613 -3.291 1.00 0.00 C ATOM 914 C ILE A 59 -5.426 -9.464 -2.257 1.00 0.00 C ATOM 915 O ILE A 59 -6.572 -9.830 -2.509 1.00 0.00 O ATOM 916 CB ILE A 59 -4.554 -8.625 -4.452 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.491 -8.822 -5.538 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.540 -7.191 -3.941 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.738 -8.009 -6.792 1.00 0.00 C ATOM 0 H ILE A 59 -4.866 -11.160 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.357 -9.381 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.534 -8.823 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.516 -8.556 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.448 -9.878 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.708 -6.507 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.328 -7.061 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.574 -6.977 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.944 -8.202 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.698 -8.291 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.750 -6.948 -6.541 1.00 0.00 H new ATOM 931 N GLU A 60 -5.067 -8.960 -1.086 1.00 0.00 N ATOM 932 CA GLU A 60 -6.023 -8.768 -0.002 1.00 0.00 C ATOM 933 C GLU A 60 -6.033 -7.311 0.454 1.00 0.00 C ATOM 934 O GLU A 60 -6.933 -6.877 1.179 1.00 0.00 O ATOM 935 CB GLU A 60 -5.677 -9.690 1.168 1.00 0.00 C ATOM 936 CG GLU A 60 -5.674 -11.163 0.793 1.00 0.00 C ATOM 937 CD GLU A 60 -5.350 -12.066 1.963 1.00 0.00 C ATOM 938 OE1 GLU A 60 -6.220 -12.231 2.845 1.00 0.00 O ATOM 939 OE2 GLU A 60 -4.239 -12.633 1.995 1.00 0.00 O ATOM 0 H GLU A 60 -4.114 -8.674 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.019 -9.018 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.695 -9.419 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.394 -9.529 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.651 -11.433 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.946 -11.329 -0.001 1.00 0.00 H new ATOM 946 N ARG A 61 -5.026 -6.565 0.019 1.00 0.00 N ATOM 947 CA ARG A 61 -4.892 -5.156 0.360 1.00 0.00 C ATOM 948 C ARG A 61 -4.209 -4.407 -0.776 1.00 0.00 C ATOM 949 O ARG A 61 -3.542 -5.011 -1.606 1.00 0.00 O ATOM 950 CB ARG A 61 -4.082 -4.987 1.653 1.00 0.00 C ATOM 951 CG ARG A 61 -4.921 -5.047 2.921 1.00 0.00 C ATOM 952 CD ARG A 61 -5.689 -3.751 3.136 1.00 0.00 C ATOM 953 NE ARG A 61 -6.649 -3.848 4.239 1.00 0.00 N ATOM 954 CZ ARG A 61 -6.735 -2.963 5.233 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.831 -2.000 5.355 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.713 -3.060 6.128 1.00 0.00 N ATOM 0 H ARG A 61 -4.280 -6.920 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.889 -4.744 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.320 -5.765 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.560 -4.031 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.620 -5.881 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.275 -5.236 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.985 -2.944 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.218 -3.489 2.220 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.291 -4.641 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.064 -1.933 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.903 -1.327 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.398 -3.812 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.778 -2.383 6.888 1.00 0.00 H new ATOM 970 N LEU A 62 -4.414 -3.105 -0.830 1.00 0.00 N ATOM 971 CA LEU A 62 -3.718 -2.247 -1.776 1.00 0.00 C ATOM 972 C LEU A 62 -3.153 -1.044 -1.046 1.00 0.00 C ATOM 973 O LEU A 62 -3.852 -0.421 -0.247 1.00 0.00 O ATOM 974 CB LEU A 62 -4.644 -1.757 -2.902 1.00 0.00 C ATOM 975 CG LEU A 62 -4.948 -2.761 -4.019 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.978 -3.783 -3.575 1.00 0.00 C ATOM 977 CD2 LEU A 62 -5.424 -2.033 -5.266 1.00 0.00 C ATOM 0 H LEU A 62 -5.066 -2.611 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.919 -2.836 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.589 -1.445 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.196 -0.871 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.027 -3.295 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.172 -4.481 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.600 -4.329 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.903 -3.274 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.636 -2.758 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.329 -1.471 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.648 -1.347 -5.605 1.00 0.00 H new ATOM 989 N VAL A 63 -1.895 -0.735 -1.304 1.00 0.00 N ATOM 990 CA VAL A 63 -1.276 0.453 -0.744 1.00 0.00 C ATOM 991 C VAL A 63 -1.084 1.484 -1.838 1.00 0.00 C ATOM 992 O VAL A 63 -0.179 1.364 -2.669 1.00 0.00 O ATOM 993 CB VAL A 63 0.084 0.152 -0.078 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.727 1.430 0.443 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.089 -0.847 1.049 1.00 0.00 C ATOM 0 H VAL A 63 -1.281 -1.291 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.942 0.834 0.030 1.00 0.00 H new ATOM 0 HB VAL A 63 0.743 -0.280 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.684 1.193 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.887 2.120 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.071 1.893 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.879 -1.049 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.767 -0.437 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.503 -1.774 0.653 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.957 2.474 -1.860 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.910 3.497 -2.888 1.00 0.00 C ATOM 1007 C ILE A 64 -1.250 4.755 -2.342 1.00 0.00 C ATOM 1008 O ILE A 64 -1.860 5.510 -1.586 1.00 0.00 O ATOM 1009 CB ILE A 64 -3.323 3.836 -3.417 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -4.120 2.555 -3.693 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -3.231 4.678 -4.682 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.509 1.655 -4.749 1.00 0.00 C ATOM 0 H ILE A 64 -2.707 2.591 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.323 3.106 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.844 4.410 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.215 1.993 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.128 2.828 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.235 4.907 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.703 5.606 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.690 4.124 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.135 0.773 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.440 2.196 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.512 1.348 -4.433 1.00 0.00 H new ATOM 1024 N GLN A 65 0.013 4.948 -2.692 1.00 0.00 N ATOM 1025 CA GLN A 65 0.769 6.113 -2.255 1.00 0.00 C ATOM 1026 C GLN A 65 0.801 7.149 -3.369 1.00 0.00 C ATOM 1027 O GLN A 65 1.571 7.005 -4.324 1.00 0.00 O ATOM 1028 CB GLN A 65 2.202 5.714 -1.900 1.00 0.00 C ATOM 1029 CG GLN A 65 2.304 4.555 -0.922 1.00 0.00 C ATOM 1030 CD GLN A 65 3.730 4.064 -0.760 1.00 0.00 C ATOM 1031 OE1 GLN A 65 4.684 4.830 -0.896 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.888 2.779 -0.481 1.00 0.00 N ATOM 0 H GLN A 65 0.540 4.306 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 65 0.285 6.532 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.730 5.449 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.713 6.578 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.916 4.866 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.676 3.734 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.072 2.176 -0.376 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.826 2.392 -0.371 1.00 0.00 H new ATOM 1041 N SER A 66 -0.020 8.186 -3.262 1.00 0.00 N ATOM 1042 CA SER A 66 -0.132 9.156 -4.341 1.00 0.00 C ATOM 1043 C SER A 66 -0.697 10.495 -3.872 1.00 0.00 C ATOM 1044 O SER A 66 -1.212 10.616 -2.757 1.00 0.00 O ATOM 1045 CB SER A 66 -1.008 8.571 -5.450 1.00 0.00 C ATOM 1046 OG SER A 66 -2.164 7.955 -4.907 1.00 0.00 O ATOM 0 H SER A 66 -0.610 8.375 -2.451 1.00 0.00 H new ATOM 0 HA SER A 66 0.872 9.356 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.302 9.360 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.437 7.841 -6.024 1.00 0.00 H new ATOM 0 HG SER A 66 -2.628 7.453 -5.609 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.570 11.495 -4.739 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.147 12.814 -4.523 1.00 0.00 C ATOM 1054 C TYR A 67 -2.144 13.112 -5.638 1.00 0.00 C ATOM 1055 O TYR A 67 -1.944 12.670 -6.775 1.00 0.00 O ATOM 1056 CB TYR A 67 -0.066 13.901 -4.542 1.00 0.00 C ATOM 1057 CG TYR A 67 1.043 13.731 -3.525 1.00 0.00 C ATOM 1058 CD1 TYR A 67 2.175 12.984 -3.823 1.00 0.00 C ATOM 1059 CD2 TYR A 67 0.968 14.343 -2.282 1.00 0.00 C ATOM 1060 CE1 TYR A 67 3.198 12.845 -2.906 1.00 0.00 C ATOM 1061 CE2 TYR A 67 1.991 14.214 -1.361 1.00 0.00 C ATOM 1062 CZ TYR A 67 3.102 13.464 -1.680 1.00 0.00 C ATOM 1063 OH TYR A 67 4.124 13.335 -0.767 1.00 0.00 O ATOM 0 H TYR A 67 -0.059 11.410 -5.618 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.636 12.816 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.378 13.931 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.543 14.867 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.257 12.504 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.097 14.929 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.069 12.254 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.920 14.698 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 67 3.901 13.833 0.047 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.194 13.866 -5.318 1.00 0.00 N ATOM 1074 CA PHE A 68 -4.201 14.267 -6.304 1.00 0.00 C ATOM 1075 C PHE A 68 -4.940 13.042 -6.840 1.00 0.00 C ATOM 1076 O PHE A 68 -5.291 12.155 -6.071 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.557 15.052 -7.460 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.845 16.305 -7.030 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -3.555 17.461 -6.754 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -1.465 16.326 -6.907 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.902 18.615 -6.364 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -0.806 17.476 -6.518 1.00 0.00 C ATOM 1083 CZ PHE A 68 -1.526 18.621 -6.245 1.00 0.00 C ATOM 0 H PHE A 68 -3.372 14.215 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.919 14.920 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.849 14.403 -7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.331 15.316 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.631 17.461 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.897 15.432 -7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.467 19.511 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.270 17.479 -6.428 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.014 19.521 -5.939 1.00 0.00 H new ATOM 1093 N VAL A 69 -5.159 13.008 -8.160 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.874 11.912 -8.826 1.00 0.00 C ATOM 1095 C VAL A 69 -7.371 11.949 -8.502 1.00 0.00 C ATOM 1096 O VAL A 69 -7.775 11.899 -7.344 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.294 10.521 -8.463 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -6.034 9.418 -9.209 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.799 10.455 -8.759 1.00 0.00 C ATOM 0 H VAL A 69 -4.845 13.740 -8.797 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.736 12.063 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.434 10.369 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.611 8.450 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.090 9.441 -8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.931 9.573 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.419 9.468 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.630 10.637 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.278 11.213 -8.174 1.00 0.00 H new ATOM 1109 N GLN A 70 -8.191 12.048 -9.541 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.636 12.100 -9.367 1.00 0.00 C ATOM 1111 C GLN A 70 -10.249 10.719 -9.573 1.00 0.00 C ATOM 1112 O GLN A 70 -10.671 10.068 -8.619 1.00 0.00 O ATOM 1113 CB GLN A 70 -10.255 13.110 -10.339 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.780 13.141 -10.323 1.00 0.00 C ATOM 1115 CD GLN A 70 -12.352 13.491 -8.964 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.620 12.614 -8.139 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -12.546 14.774 -8.721 1.00 0.00 N ATOM 0 H GLN A 70 -7.880 12.094 -10.511 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.849 12.423 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.880 14.105 -10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.918 12.878 -11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.131 13.867 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.161 12.167 -10.631 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.311 15.469 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.931 15.071 -7.824 1.00 0.00 H new ATOM 1126 N THR A 71 -10.289 10.270 -10.818 1.00 0.00 N ATOM 1127 CA THR A 71 -10.890 8.990 -11.140 1.00 0.00 C ATOM 1128 C THR A 71 -9.825 7.965 -11.508 1.00 0.00 C ATOM 1129 O THR A 71 -9.209 8.042 -12.576 1.00 0.00 O ATOM 1130 CB THR A 71 -11.905 9.130 -12.291 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.846 10.163 -11.973 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.648 7.822 -12.530 1.00 0.00 C ATOM 0 H THR A 71 -9.912 10.775 -11.620 1.00 0.00 H new ATOM 0 HA THR A 71 -11.417 8.642 -10.252 1.00 0.00 H new ATOM 0 HB THR A 71 -11.361 9.386 -13.200 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.491 10.254 -12.705 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.357 7.951 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.934 7.040 -12.789 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.185 7.538 -11.625 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.602 7.027 -10.603 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.634 5.967 -10.811 1.00 0.00 C ATOM 1142 C LEU A 72 -9.346 4.641 -11.050 1.00 0.00 C ATOM 1143 O LEU A 72 -9.957 4.077 -10.141 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.703 5.864 -9.597 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.691 4.718 -9.638 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.799 4.835 -10.861 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.856 4.707 -8.367 1.00 0.00 C ATOM 0 H LEU A 72 -10.086 6.980 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.037 6.201 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.158 6.803 -9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.314 5.754 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.237 3.777 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.086 4.010 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.411 4.798 -11.762 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.259 5.781 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.140 3.886 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.320 5.652 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.509 4.575 -7.504 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.281 4.159 -12.280 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.886 2.886 -12.631 1.00 0.00 C ATOM 1161 C LYS A 73 -8.883 1.763 -12.427 1.00 0.00 C ATOM 1162 O LYS A 73 -7.798 1.774 -13.011 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.369 2.898 -14.085 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.474 3.906 -14.359 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.914 3.859 -15.816 1.00 0.00 C ATOM 1166 CE LYS A 73 -13.025 4.859 -16.103 1.00 0.00 C ATOM 1167 NZ LYS A 73 -14.273 4.544 -15.357 1.00 0.00 N ATOM 0 H LYS A 73 -8.814 4.632 -13.054 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.747 2.722 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.523 3.115 -14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.726 1.902 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.327 3.699 -13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.124 4.909 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.060 4.069 -16.460 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.258 2.854 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.688 5.861 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.236 4.868 -17.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.062 5.094 -15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.481 3.529 -15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.149 4.789 -14.354 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.229 0.819 -11.572 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.363 -0.313 -11.301 1.00 0.00 C ATOM 1183 C ILE A 74 -8.930 -1.564 -11.954 1.00 0.00 C ATOM 1184 O ILE A 74 -9.798 -2.235 -11.392 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.205 -0.561 -9.785 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.852 0.743 -9.063 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.136 -1.617 -9.528 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.990 0.655 -7.558 1.00 0.00 C ATOM 0 H ILE A 74 -10.106 0.814 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.381 -0.083 -11.715 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.154 -0.926 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.827 1.020 -9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.496 1.540 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.037 -1.780 -8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.423 -2.550 -10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.183 -1.276 -9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.724 1.613 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.020 0.408 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.325 -0.120 -7.176 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.458 -1.856 -13.153 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.893 -3.041 -13.870 1.00 0.00 C ATOM 1202 C GLU A 75 -7.902 -4.175 -13.646 1.00 0.00 C ATOM 1203 O GLU A 75 -6.710 -3.942 -13.472 1.00 0.00 O ATOM 1204 CB GLU A 75 -9.033 -2.751 -15.370 1.00 0.00 C ATOM 1205 CG GLU A 75 -10.394 -2.191 -15.778 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.673 -0.798 -15.241 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -11.112 -0.678 -14.078 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.487 0.177 -15.997 1.00 0.00 O ATOM 0 H GLU A 75 -7.773 -1.288 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.870 -3.337 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.259 -2.043 -15.665 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.851 -3.672 -15.925 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.455 -2.169 -16.866 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.174 -2.867 -15.428 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.398 -5.401 -13.635 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.550 -6.558 -13.397 1.00 0.00 C ATOM 1217 C LYS A 76 -7.655 -7.556 -14.539 1.00 0.00 C ATOM 1218 O LYS A 76 -8.657 -7.598 -15.256 1.00 0.00 O ATOM 1219 CB LYS A 76 -7.930 -7.242 -12.081 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.405 -7.603 -11.977 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.697 -8.406 -10.721 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.284 -9.863 -10.867 1.00 0.00 C ATOM 1223 NZ LYS A 76 -10.212 -10.617 -11.751 1.00 0.00 N ATOM 0 H LYS A 76 -9.382 -5.621 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.520 -6.206 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.335 -8.149 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.668 -6.585 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.004 -6.692 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.702 -8.178 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.170 -7.963 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.762 -8.352 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.274 -9.915 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.257 -10.333 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.999 -11.633 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.193 -10.450 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.094 -10.296 -12.733 1.00 0.00 H new ATOM 1237 N SER A 77 -6.611 -8.346 -14.711 1.00 0.00 N ATOM 1238 CA SER A 77 -6.625 -9.435 -15.667 1.00 0.00 C ATOM 1239 C SER A 77 -5.945 -10.650 -15.054 1.00 0.00 C ATOM 1240 O SER A 77 -4.986 -10.516 -14.287 1.00 0.00 O ATOM 1241 CB SER A 77 -5.922 -9.028 -16.966 1.00 0.00 C ATOM 1242 OG SER A 77 -6.027 -10.046 -17.948 1.00 0.00 O ATOM 0 H SER A 77 -5.736 -8.251 -14.195 1.00 0.00 H new ATOM 0 HA SER A 77 -7.659 -9.682 -15.909 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.361 -8.106 -17.346 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.871 -8.821 -16.764 1.00 0.00 H new ATOM 0 HG SER A 77 -5.571 -9.759 -18.767 1.00 0.00 H new ATOM 1248 N THR A 78 -6.470 -11.824 -15.359 1.00 0.00 N ATOM 1249 CA THR A 78 -5.885 -13.070 -14.897 1.00 0.00 C ATOM 1250 C THR A 78 -5.309 -13.854 -16.070 1.00 0.00 C ATOM 1251 O THR A 78 -4.996 -15.041 -15.956 1.00 0.00 O ATOM 1252 CB THR A 78 -6.928 -13.923 -14.156 1.00 0.00 C ATOM 1253 OG1 THR A 78 -8.184 -13.855 -14.844 1.00 0.00 O ATOM 1254 CG2 THR A 78 -7.102 -13.444 -12.723 1.00 0.00 C ATOM 0 H THR A 78 -7.307 -11.940 -15.930 1.00 0.00 H new ATOM 0 HA THR A 78 -5.080 -12.828 -14.203 1.00 0.00 H new ATOM 0 HB THR A 78 -6.577 -14.955 -14.134 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.846 -14.401 -14.371 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.845 -14.063 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.151 -13.519 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.435 -12.406 -12.724 1.00 0.00 H new ATOM 1262 N SER A 79 -5.171 -13.174 -17.198 1.00 0.00 N ATOM 1263 CA SER A 79 -4.614 -13.780 -18.392 1.00 0.00 C ATOM 1264 C SER A 79 -3.093 -13.631 -18.385 1.00 0.00 C ATOM 1265 O SER A 79 -2.515 -13.127 -17.420 1.00 0.00 O ATOM 1266 CB SER A 79 -5.222 -13.124 -19.638 1.00 0.00 C ATOM 1267 OG SER A 79 -4.879 -13.835 -20.818 1.00 0.00 O ATOM 0 H SER A 79 -5.440 -12.196 -17.309 1.00 0.00 H new ATOM 0 HA SER A 79 -4.856 -14.843 -18.410 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.307 -13.085 -19.538 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.872 -12.095 -19.717 1.00 0.00 H new ATOM 0 HG SER A 79 -5.282 -13.394 -21.595 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.447 -14.074 -19.453 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.998 -13.987 -19.555 1.00 0.00 C ATOM 1275 C LYS A 80 -0.609 -12.851 -20.488 1.00 0.00 C ATOM 1276 O LYS A 80 0.557 -12.468 -20.576 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.416 -15.306 -20.065 1.00 0.00 C ATOM 1278 CG LYS A 80 -0.726 -16.500 -19.174 1.00 0.00 C ATOM 1279 CD LYS A 80 -0.110 -17.775 -19.727 1.00 0.00 C ATOM 1280 CE LYS A 80 1.405 -17.673 -19.787 1.00 0.00 C ATOM 1281 NZ LYS A 80 2.018 -18.843 -20.465 1.00 0.00 N ATOM 0 H LYS A 80 -2.903 -14.497 -20.261 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.592 -13.789 -18.563 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.803 -15.501 -21.065 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.665 -15.204 -20.156 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.346 -16.316 -18.169 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.806 -16.622 -19.088 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.396 -18.621 -19.102 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.504 -17.969 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.686 -16.761 -20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.803 -17.592 -18.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.052 -18.731 -20.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.773 -19.712 -19.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.659 -18.907 -21.439 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.603 -12.314 -21.175 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.389 -11.240 -22.126 1.00 0.00 C ATOM 1297 C GLU A 81 -1.908 -9.924 -21.545 1.00 0.00 C ATOM 1298 O GLU A 81 -2.930 -9.914 -20.859 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.097 -11.578 -23.442 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.697 -10.693 -24.608 1.00 0.00 C ATOM 1301 CD GLU A 81 -2.265 -11.175 -25.923 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -1.937 -12.307 -26.334 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -3.014 -10.418 -26.568 1.00 0.00 O ATOM 0 H GLU A 81 -2.576 -12.609 -21.089 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.323 -11.127 -22.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.886 -12.616 -23.699 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.174 -11.499 -23.293 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.038 -9.675 -24.420 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.610 -10.658 -24.677 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.202 -8.804 -21.790 1.00 0.00 N ATOM 1311 CA PRO A 82 -1.592 -7.473 -21.288 1.00 0.00 C ATOM 1312 C PRO A 82 -2.846 -6.907 -21.967 1.00 0.00 C ATOM 1313 O PRO A 82 -2.888 -5.728 -22.316 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.376 -6.590 -21.619 1.00 0.00 C ATOM 1315 CG PRO A 82 0.724 -7.532 -21.974 1.00 0.00 C ATOM 1316 CD PRO A 82 0.054 -8.741 -22.550 1.00 0.00 C ATOM 0 HA PRO A 82 -1.844 -7.516 -20.228 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.596 -5.916 -22.447 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.100 -5.969 -20.767 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.407 -7.082 -22.695 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.314 -7.793 -21.096 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.125 -8.634 -23.620 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.655 -9.640 -22.415 1.00 0.00 H new ATOM 1324 N VAL A 83 -3.872 -7.735 -22.127 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.124 -7.308 -22.742 1.00 0.00 C ATOM 1326 C VAL A 83 -6.318 -7.855 -21.966 1.00 0.00 C ATOM 1327 O VAL A 83 -6.149 -8.643 -21.032 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.242 -7.767 -24.215 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.180 -7.108 -25.081 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.156 -9.283 -24.316 1.00 0.00 C ATOM 0 H VAL A 83 -3.861 -8.713 -21.837 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.123 -6.218 -22.717 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.218 -7.454 -24.586 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.287 -7.449 -26.111 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.300 -6.025 -25.043 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.191 -7.377 -24.711 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.241 -9.583 -25.360 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.199 -9.620 -23.918 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.966 -9.732 -23.742 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.514 -7.417 -22.361 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.771 -7.889 -21.776 1.00 0.00 C ATOM 1342 C ASP A 84 -8.795 -7.698 -20.265 1.00 0.00 C ATOM 1343 O ASP A 84 -8.749 -8.659 -19.493 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.043 -9.358 -22.128 1.00 0.00 C ATOM 1345 CG ASP A 84 -9.457 -9.543 -23.575 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -10.632 -9.257 -23.906 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -8.620 -9.980 -24.391 1.00 0.00 O ATOM 0 H ASP A 84 -7.639 -6.723 -23.098 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.565 -7.281 -22.210 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.147 -9.947 -21.932 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.827 -9.745 -21.477 1.00 0.00 H new ATOM 1352 N PHE A 85 -8.858 -6.446 -19.851 1.00 0.00 N ATOM 1353 CA PHE A 85 -8.925 -6.115 -18.444 1.00 0.00 C ATOM 1354 C PHE A 85 -10.370 -5.947 -18.009 1.00 0.00 C ATOM 1355 O PHE A 85 -11.200 -5.415 -18.747 1.00 0.00 O ATOM 1356 CB PHE A 85 -8.125 -4.848 -18.148 1.00 0.00 C ATOM 1357 CG PHE A 85 -6.647 -5.020 -18.340 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -5.849 -5.459 -17.296 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.056 -4.749 -19.563 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -4.490 -5.622 -17.468 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -4.697 -4.912 -19.741 1.00 0.00 C ATOM 1362 CZ PHE A 85 -3.913 -5.349 -18.692 1.00 0.00 C ATOM 0 H PHE A 85 -8.864 -5.639 -20.475 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.485 -6.935 -17.877 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.477 -4.045 -18.795 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.317 -4.537 -17.121 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.296 -5.676 -16.337 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.665 -4.406 -20.386 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.878 -5.963 -16.646 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.248 -4.698 -20.699 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.849 -5.477 -18.829 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.661 -6.422 -16.816 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.001 -6.377 -16.267 1.00 0.00 C ATOM 1374 C GLU A 86 -11.992 -5.513 -15.016 1.00 0.00 C ATOM 1375 O GLU A 86 -11.129 -5.687 -14.155 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.457 -7.803 -15.956 1.00 0.00 C ATOM 1377 CG GLU A 86 -12.261 -8.746 -17.135 1.00 0.00 C ATOM 1378 CD GLU A 86 -12.419 -10.207 -16.772 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -11.488 -10.773 -16.162 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -13.463 -10.797 -17.113 1.00 0.00 O ATOM 0 H GLU A 86 -9.973 -6.852 -16.197 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.699 -5.941 -16.981 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.902 -8.180 -15.097 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.510 -7.791 -15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.979 -8.494 -17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.267 -8.589 -17.554 1.00 0.00 H new ATOM 1387 N GLN A 87 -12.928 -4.573 -14.925 1.00 0.00 N ATOM 1388 CA GLN A 87 -12.925 -3.601 -13.835 1.00 0.00 C ATOM 1389 C GLN A 87 -13.024 -4.287 -12.481 1.00 0.00 C ATOM 1390 O GLN A 87 -13.956 -5.049 -12.217 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.051 -2.574 -13.997 1.00 0.00 C ATOM 1392 CG GLN A 87 -14.055 -1.523 -12.895 1.00 0.00 C ATOM 1393 CD GLN A 87 -14.453 -0.148 -13.394 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -15.625 0.231 -13.367 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -13.475 0.606 -13.866 1.00 0.00 N ATOM 0 H GLN A 87 -13.695 -4.463 -15.589 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.973 -3.071 -13.880 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.950 -2.080 -14.963 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.010 -3.091 -14.003 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.743 -1.832 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.062 -1.469 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.517 0.255 -13.871 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.678 1.539 -14.225 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.042 -4.015 -11.637 1.00 0.00 N ATOM 1405 CA TRP A 88 -11.982 -4.601 -10.313 1.00 0.00 C ATOM 1406 C TRP A 88 -12.614 -3.653 -9.305 1.00 0.00 C ATOM 1407 O TRP A 88 -13.674 -3.938 -8.747 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.520 -4.880 -9.946 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.333 -5.645 -8.672 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.269 -6.379 -8.004 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.119 -5.764 -7.925 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.711 -6.945 -6.887 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.393 -6.583 -6.815 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -7.826 -5.256 -8.088 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.422 -6.906 -5.873 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -6.863 -5.578 -7.151 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.166 -6.398 -6.057 1.00 0.00 C ATOM 0 H TRP A 88 -11.269 -3.385 -11.851 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.534 -5.541 -10.300 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.054 -5.436 -10.760 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -9.992 -3.930 -9.865 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.298 -6.497 -8.310 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.199 -7.540 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.585 -4.624 -8.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.652 -7.536 -5.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.861 -5.191 -7.264 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.391 -6.634 -5.343 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.964 -2.519 -9.096 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.457 -1.500 -8.183 1.00 0.00 C ATOM 1430 C ILE A 89 -12.126 -0.114 -8.715 1.00 0.00 C ATOM 1431 O ILE A 89 -11.035 0.121 -9.221 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.877 -1.661 -6.755 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.370 -1.944 -6.806 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.610 -2.760 -5.997 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.739 -2.137 -5.444 1.00 0.00 C ATOM 0 H ILE A 89 -11.084 -2.280 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.538 -1.624 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.025 -0.723 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.198 -2.837 -7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.872 -1.118 -7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.187 -2.857 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.667 -2.507 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.501 -3.705 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.673 -2.333 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.879 -1.236 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.210 -2.982 -4.941 1.00 0.00 H new ATOM 1447 N GLU A 90 -13.077 0.794 -8.624 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.852 2.155 -9.069 1.00 0.00 C ATOM 1449 C GLU A 90 -12.631 3.046 -7.859 1.00 0.00 C ATOM 1450 O GLU A 90 -13.469 3.100 -6.956 1.00 0.00 O ATOM 1451 CB GLU A 90 -14.027 2.645 -9.913 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.809 4.019 -10.523 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.833 4.343 -11.587 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -16.024 4.487 -11.247 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -14.456 4.439 -12.769 1.00 0.00 O ATOM 0 H GLU A 90 -14.008 0.616 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.963 2.191 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.213 1.928 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.923 2.670 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.853 4.774 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.810 4.067 -10.956 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.501 3.728 -7.834 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.089 4.456 -6.651 1.00 0.00 C ATOM 1464 C LYS A 91 -10.946 5.946 -6.943 1.00 0.00 C ATOM 1465 O LYS A 91 -10.465 6.340 -8.003 1.00 0.00 O ATOM 1466 CB LYS A 91 -9.761 3.885 -6.145 1.00 0.00 C ATOM 1467 CG LYS A 91 -9.721 3.638 -4.647 1.00 0.00 C ATOM 1468 CD LYS A 91 -9.942 4.918 -3.868 1.00 0.00 C ATOM 1469 CE LYS A 91 -9.832 4.694 -2.374 1.00 0.00 C ATOM 1470 NZ LYS A 91 -10.077 5.951 -1.622 1.00 0.00 N ATOM 0 H LYS A 91 -10.853 3.792 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.855 4.341 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.561 2.947 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.958 4.573 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.485 2.910 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.758 3.206 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.210 5.663 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.927 5.321 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.551 3.936 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.840 4.311 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.242 6.179 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.257 6.726 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.904 5.830 -1.003 1.00 0.00 H new ATOM 1484 N ASP A 92 -11.383 6.769 -6.002 1.00 0.00 N ATOM 1485 CA ASP A 92 -11.175 8.205 -6.086 1.00 0.00 C ATOM 1486 C ASP A 92 -10.227 8.640 -4.975 1.00 0.00 C ATOM 1487 O ASP A 92 -10.225 8.058 -3.885 1.00 0.00 O ATOM 1488 CB ASP A 92 -12.506 8.963 -5.981 1.00 0.00 C ATOM 1489 CG ASP A 92 -13.068 8.987 -4.572 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -13.543 7.933 -4.094 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -13.044 10.064 -3.939 1.00 0.00 O ATOM 0 H ASP A 92 -11.886 6.465 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.735 8.442 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.362 9.987 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.234 8.501 -6.648 1.00 0.00 H new ATOM 1496 N LEU A 93 -9.406 9.636 -5.253 1.00 0.00 N ATOM 1497 CA LEU A 93 -8.429 10.106 -4.285 1.00 0.00 C ATOM 1498 C LEU A 93 -8.704 11.556 -3.912 1.00 0.00 C ATOM 1499 O LEU A 93 -9.591 12.193 -4.481 1.00 0.00 O ATOM 1500 CB LEU A 93 -7.011 9.934 -4.827 1.00 0.00 C ATOM 1501 CG LEU A 93 -6.596 8.483 -5.091 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -5.196 8.428 -5.673 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.670 7.663 -3.811 1.00 0.00 C ATOM 0 H LEU A 93 -9.395 10.136 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.517 9.504 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.921 10.498 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.310 10.374 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.290 8.055 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.918 7.390 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.171 8.980 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.492 8.875 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.372 6.636 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.000 8.091 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.691 7.674 -3.430 1.00 0.00 H new ATOM 1515 N VAL A 94 -7.953 12.068 -2.950 1.00 0.00 N ATOM 1516 CA VAL A 94 -8.244 13.370 -2.367 1.00 0.00 C ATOM 1517 C VAL A 94 -7.213 14.415 -2.785 1.00 0.00 C ATOM 1518 O VAL A 94 -6.027 14.118 -2.932 1.00 0.00 O ATOM 1519 CB VAL A 94 -8.293 13.281 -0.824 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -8.707 14.609 -0.205 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -9.236 12.171 -0.385 1.00 0.00 C ATOM 0 H VAL A 94 -7.136 11.602 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.220 13.679 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.289 13.047 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.732 14.513 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.989 15.380 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.697 14.886 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.259 12.122 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.239 12.376 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.887 11.218 -0.784 1.00 0.00 H new ATOM 1531 N HIS A 95 -7.687 15.637 -2.988 1.00 0.00 N ATOM 1532 CA HIS A 95 -6.820 16.763 -3.307 1.00 0.00 C ATOM 1533 C HIS A 95 -6.121 17.262 -2.042 1.00 0.00 C ATOM 1534 O HIS A 95 -6.711 17.995 -1.251 1.00 0.00 O ATOM 1535 CB HIS A 95 -7.649 17.890 -3.942 1.00 0.00 C ATOM 1536 CG HIS A 95 -6.851 19.091 -4.359 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -7.420 20.221 -4.902 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -5.524 19.333 -4.312 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -6.476 21.101 -5.168 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -5.314 20.585 -4.818 1.00 0.00 N ATOM 0 H HIS A 95 -8.678 15.875 -2.937 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.059 16.441 -4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.169 17.494 -4.815 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.413 18.206 -3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.766 18.659 -3.942 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.628 22.079 -5.600 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.408 21.045 -4.910 1.00 0.00 H new ATOM 1548 N THR A 96 -4.873 16.854 -1.853 1.00 0.00 N ATOM 1549 CA THR A 96 -4.108 17.263 -0.684 1.00 0.00 C ATOM 1550 C THR A 96 -2.741 17.835 -1.067 1.00 0.00 C ATOM 1551 O THR A 96 -1.966 17.201 -1.786 1.00 0.00 O ATOM 1552 CB THR A 96 -3.918 16.080 0.285 1.00 0.00 C ATOM 1553 OG1 THR A 96 -3.539 14.901 -0.443 1.00 0.00 O ATOM 1554 CG2 THR A 96 -5.193 15.811 1.073 1.00 0.00 C ATOM 0 H THR A 96 -4.370 16.241 -2.494 1.00 0.00 H new ATOM 0 HA THR A 96 -4.679 18.049 -0.190 1.00 0.00 H new ATOM 0 HB THR A 96 -3.126 16.341 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.668 14.585 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.032 14.972 1.749 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.458 16.697 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.003 15.572 0.384 1.00 0.00 H new ATOM 1562 N GLU A 97 -2.461 19.042 -0.590 1.00 0.00 N ATOM 1563 CA GLU A 97 -1.164 19.677 -0.797 1.00 0.00 C ATOM 1564 C GLU A 97 -0.192 19.282 0.307 1.00 0.00 C ATOM 1565 O GLU A 97 -0.426 19.569 1.481 1.00 0.00 O ATOM 1566 CB GLU A 97 -1.299 21.203 -0.822 1.00 0.00 C ATOM 1567 CG GLU A 97 -1.543 21.799 -2.202 1.00 0.00 C ATOM 1568 CD GLU A 97 -2.874 21.405 -2.808 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -3.874 21.305 -2.065 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -2.930 21.214 -4.042 1.00 0.00 O ATOM 0 H GLU A 97 -3.121 19.605 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.781 19.336 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.120 21.492 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.391 21.641 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.493 22.886 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.742 21.485 -2.871 1.00 0.00 H new ATOM 1577 N GLY A 98 0.888 18.606 -0.072 1.00 0.00 N ATOM 1578 CA GLY A 98 1.910 18.229 0.891 1.00 0.00 C ATOM 1579 C GLY A 98 1.455 17.124 1.824 1.00 0.00 C ATOM 1580 O GLY A 98 2.140 16.794 2.794 1.00 0.00 O ATOM 0 H GLY A 98 1.075 18.311 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.804 17.904 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.190 19.103 1.479 1.00 0.00 H new ATOM 1584 N GLN A 99 0.298 16.553 1.533 1.00 0.00 N ATOM 1585 CA GLN A 99 -0.242 15.470 2.334 1.00 0.00 C ATOM 1586 C GLN A 99 -0.252 14.185 1.524 1.00 0.00 C ATOM 1587 O GLN A 99 -1.005 14.059 0.556 1.00 0.00 O ATOM 1588 CB GLN A 99 -1.662 15.810 2.801 1.00 0.00 C ATOM 1589 CG GLN A 99 -1.738 17.053 3.676 1.00 0.00 C ATOM 1590 CD GLN A 99 -1.112 16.849 5.042 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -0.544 17.774 5.621 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -1.239 15.647 5.581 1.00 0.00 N ATOM 0 H GLN A 99 -0.287 16.824 0.743 1.00 0.00 H new ATOM 0 HA GLN A 99 0.389 15.333 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.298 15.952 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.066 14.962 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.236 17.878 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.782 17.342 3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.717 14.906 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.859 15.462 6.509 1.00 0.00 H new ATOM 1601 N LEU A 100 0.596 13.244 1.906 1.00 0.00 N ATOM 1602 CA LEU A 100 0.676 11.971 1.209 1.00 0.00 C ATOM 1603 C LEU A 100 -0.416 11.045 1.728 1.00 0.00 C ATOM 1604 O LEU A 100 -0.336 10.544 2.851 1.00 0.00 O ATOM 1605 CB LEU A 100 2.056 11.330 1.408 1.00 0.00 C ATOM 1606 CG LEU A 100 2.616 10.568 0.196 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.956 9.938 0.536 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.641 9.508 -0.295 1.00 0.00 C ATOM 0 H LEU A 100 1.238 13.337 2.693 1.00 0.00 H new ATOM 0 HA LEU A 100 0.533 12.139 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.764 12.112 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.999 10.643 2.252 1.00 0.00 H new ATOM 0 HG LEU A 100 2.760 11.288 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.337 9.403 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.663 10.717 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.831 9.241 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.069 8.989 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.449 8.792 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.705 9.983 -0.589 1.00 0.00 H new ATOM 1620 N GLN A 101 -1.441 10.844 0.921 1.00 0.00 N ATOM 1621 CA GLN A 101 -2.548 9.996 1.312 1.00 0.00 C ATOM 1622 C GLN A 101 -2.269 8.551 0.926 1.00 0.00 C ATOM 1623 O GLN A 101 -2.452 8.155 -0.224 1.00 0.00 O ATOM 1624 CB GLN A 101 -3.856 10.479 0.672 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.080 9.671 1.088 1.00 0.00 C ATOM 1626 CD GLN A 101 -5.440 9.833 2.558 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -4.582 10.079 3.408 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -6.717 9.689 2.872 1.00 0.00 N ATOM 0 H GLN A 101 -1.529 11.256 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 101 -2.658 10.053 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -4.015 11.524 0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -3.756 10.437 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.931 9.974 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -4.898 8.617 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.401 9.486 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.017 9.781 3.842 1.00 0.00 H new ATOM 1637 N ASN A 102 -1.779 7.784 1.887 1.00 0.00 N ATOM 1638 CA ASN A 102 -1.576 6.357 1.693 1.00 0.00 C ATOM 1639 C ASN A 102 -2.889 5.639 1.921 1.00 0.00 C ATOM 1640 O ASN A 102 -3.360 5.536 3.058 1.00 0.00 O ATOM 1641 CB ASN A 102 -0.512 5.803 2.650 1.00 0.00 C ATOM 1642 CG ASN A 102 0.872 6.364 2.391 1.00 0.00 C ATOM 1643 OD1 ASN A 102 1.208 6.732 1.268 1.00 0.00 O ATOM 1644 ND2 ASN A 102 1.695 6.412 3.427 1.00 0.00 N ATOM 0 H ASN A 102 -1.514 8.126 2.811 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.224 6.193 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.802 6.028 3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.480 4.717 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.645 6.764 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.379 6.097 4.344 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.486 5.164 0.846 1.00 0.00 N ATOM 1652 CA GLU A 103 -4.788 4.530 0.925 1.00 0.00 C ATOM 1653 C GLU A 103 -4.664 3.027 1.112 1.00 0.00 C ATOM 1654 O GLU A 103 -4.138 2.322 0.249 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.612 4.839 -0.327 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.212 6.235 -0.326 1.00 0.00 C ATOM 1657 CD GLU A 103 -7.296 6.395 0.723 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.471 6.113 0.414 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -6.980 6.792 1.861 1.00 0.00 O ATOM 0 H GLU A 103 -3.090 5.205 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.301 4.937 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.979 4.724 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.415 4.107 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.424 6.966 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.628 6.450 -1.310 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.135 2.567 2.261 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.230 1.148 2.561 1.00 0.00 C ATOM 1668 C GLU A 104 -6.554 0.607 2.034 1.00 0.00 C ATOM 1669 O GLU A 104 -7.614 0.851 2.616 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.138 0.917 4.072 1.00 0.00 C ATOM 1671 CG GLU A 104 -3.730 1.011 4.640 1.00 0.00 C ATOM 1672 CD GLU A 104 -2.919 -0.256 4.423 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -3.522 -1.325 4.181 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -1.672 -0.193 4.524 1.00 0.00 O ATOM 0 H GLU A 104 -5.463 3.171 3.015 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.404 0.625 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.770 1.647 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.544 -0.068 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.212 1.851 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.788 1.221 5.708 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.497 -0.097 0.919 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.699 -0.616 0.283 1.00 0.00 C ATOM 1683 C ILE A 105 -7.857 -2.105 0.556 1.00 0.00 C ATOM 1684 O ILE A 105 -7.013 -2.905 0.164 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.663 -0.381 -1.244 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.559 1.115 -1.553 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.895 -0.980 -1.908 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.428 1.420 -3.028 1.00 0.00 C ATOM 0 H ILE A 105 -5.630 -0.324 0.432 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.549 -0.081 0.707 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.781 -0.879 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.442 1.620 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.698 1.527 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.851 -0.804 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.926 -2.053 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.791 -0.513 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.359 2.498 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.529 0.944 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.301 1.038 -3.557 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.926 -2.483 1.235 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.200 -3.893 1.455 1.00 0.00 C ATOM 1702 C VAL A 106 -9.930 -4.487 0.248 1.00 0.00 C ATOM 1703 O VAL A 106 -11.155 -4.413 0.122 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.980 -4.147 2.772 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -11.230 -3.284 2.861 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -10.331 -5.622 2.914 1.00 0.00 C ATOM 0 H VAL A 106 -9.610 -1.844 1.639 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.241 -4.400 1.565 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.328 -3.865 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.749 -3.491 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.949 -2.231 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.889 -3.511 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.878 -5.778 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.951 -5.931 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.416 -6.214 2.927 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.146 -5.037 -0.665 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.673 -5.671 -1.858 1.00 0.00 C ATOM 1718 C ALA A 107 -9.119 -7.081 -1.975 1.00 0.00 C ATOM 1719 O ALA A 107 -7.910 -7.271 -2.069 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.332 -4.853 -3.092 1.00 0.00 C ATOM 0 H ALA A 107 -8.128 -5.056 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.759 -5.725 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.736 -5.344 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.766 -3.857 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.249 -4.769 -3.185 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.007 -8.061 -1.957 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.606 -9.464 -1.935 1.00 0.00 C ATOM 1728 C HIS A 108 -9.883 -10.136 -3.276 1.00 0.00 C ATOM 1729 O HIS A 108 -11.034 -10.379 -3.638 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.309 -10.214 -0.788 1.00 0.00 C ATOM 1731 CG HIS A 108 -11.759 -9.862 -0.615 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -12.791 -10.636 -1.088 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -12.339 -8.795 -0.017 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -13.941 -10.060 -0.795 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -13.697 -8.938 -0.144 1.00 0.00 N ATOM 0 H HIS A 108 -11.016 -7.913 -1.957 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.531 -9.504 -1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -10.226 -11.286 -0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -9.783 -10.005 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -11.826 -7.980 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -14.919 -10.443 -1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -14.400 -8.287 0.206 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.814 -10.421 -4.006 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.935 -11.029 -5.314 1.00 0.00 C ATOM 1745 C GLY A 109 -7.613 -11.590 -5.800 1.00 0.00 C ATOM 1746 O GLY A 109 -6.642 -11.647 -5.048 1.00 0.00 O ATOM 0 H GLY A 109 -7.855 -10.239 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.676 -11.827 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.299 -10.289 -6.026 1.00 0.00 H new ATOM 1750 N SER A 110 -7.574 -12.023 -7.048 1.00 0.00 N ATOM 1751 CA SER A 110 -6.349 -12.539 -7.640 1.00 0.00 C ATOM 1752 C SER A 110 -6.186 -12.000 -9.056 1.00 0.00 C ATOM 1753 O SER A 110 -7.154 -11.939 -9.814 1.00 0.00 O ATOM 1754 CB SER A 110 -6.373 -14.069 -7.657 1.00 0.00 C ATOM 1755 OG SER A 110 -6.537 -14.584 -6.347 1.00 0.00 O ATOM 0 H SER A 110 -8.379 -12.028 -7.674 1.00 0.00 H new ATOM 0 HA SER A 110 -5.502 -12.210 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.186 -14.417 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.446 -14.447 -8.088 1.00 0.00 H new ATOM 0 HG SER A 110 -6.551 -15.563 -6.380 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.971 -11.595 -9.402 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.697 -11.051 -10.722 1.00 0.00 C ATOM 1763 C ALA A 111 -3.231 -11.233 -11.089 1.00 0.00 C ATOM 1764 O ALA A 111 -2.384 -11.431 -10.216 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.075 -9.576 -10.781 1.00 0.00 C ATOM 0 H ALA A 111 -4.160 -11.634 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.303 -11.597 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.863 -9.186 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.138 -9.464 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.495 -9.022 -10.043 1.00 0.00 H new ATOM 1771 N THR A 112 -2.951 -11.187 -12.381 1.00 0.00 N ATOM 1772 CA THR A 112 -1.591 -11.260 -12.884 1.00 0.00 C ATOM 1773 C THR A 112 -1.164 -9.907 -13.451 1.00 0.00 C ATOM 1774 O THR A 112 0.012 -9.534 -13.406 1.00 0.00 O ATOM 1775 CB THR A 112 -1.481 -12.340 -13.977 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.629 -12.269 -14.833 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.384 -13.729 -13.364 1.00 0.00 C ATOM 0 H THR A 112 -3.660 -11.098 -13.109 1.00 0.00 H new ATOM 0 HA THR A 112 -0.931 -11.524 -12.057 1.00 0.00 H new ATOM 0 HB THR A 112 -0.575 -12.158 -14.555 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.390 -12.589 -15.728 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.307 -14.472 -14.158 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.501 -13.785 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.274 -13.926 -12.767 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.142 -9.179 -13.980 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.921 -7.849 -14.532 1.00 0.00 C ATOM 1787 C TYR A 113 -2.894 -6.854 -13.909 1.00 0.00 C ATOM 1788 O TYR A 113 -4.097 -7.117 -13.840 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.115 -7.851 -16.055 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.063 -8.617 -16.829 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.117 -10.001 -16.941 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.022 -7.949 -17.463 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.163 -10.697 -17.657 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.935 -8.639 -18.181 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.862 -10.011 -18.275 1.00 0.00 C ATOM 1796 OH TYR A 113 1.812 -10.702 -18.993 1.00 0.00 O ATOM 0 H TYR A 113 -3.110 -9.495 -14.038 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.896 -7.556 -14.303 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.093 -8.275 -16.282 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.125 -6.819 -16.407 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.919 -10.542 -16.460 1.00 0.00 H new ATOM 0 HD2 TYR A 113 0.040 -6.873 -17.393 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.219 -11.773 -17.733 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.738 -8.104 -18.667 1.00 0.00 H new ATOM 0 HH TYR A 113 1.405 -11.501 -19.389 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.374 -5.726 -13.448 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.214 -4.655 -12.920 1.00 0.00 C ATOM 1808 C LEU A 114 -3.103 -3.412 -13.792 1.00 0.00 C ATOM 1809 O LEU A 114 -2.015 -2.887 -14.007 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.834 -4.315 -11.474 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.234 -5.358 -10.428 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.864 -4.877 -9.034 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.725 -5.653 -10.512 1.00 0.00 C ATOM 0 H LEU A 114 -1.374 -5.526 -13.428 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.246 -5.006 -12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.755 -4.171 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.296 -3.364 -11.209 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.690 -6.280 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.155 -5.629 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.788 -4.713 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.384 -3.943 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.992 -6.397 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.288 -4.737 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.965 -6.037 -11.504 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.235 -2.947 -14.284 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.275 -1.796 -15.166 1.00 0.00 C ATOM 1827 C ARG A 115 -4.827 -0.588 -14.420 1.00 0.00 C ATOM 1828 O ARG A 115 -6.031 -0.490 -14.193 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.147 -2.105 -16.385 1.00 0.00 C ATOM 1830 CG ARG A 115 -5.129 -1.031 -17.460 1.00 0.00 C ATOM 1831 CD ARG A 115 -6.070 -1.385 -18.601 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.984 -0.441 -19.713 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.791 -0.452 -20.774 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -7.740 -1.372 -20.893 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.641 0.459 -21.725 1.00 0.00 N ATOM 0 H ARG A 115 -5.149 -3.354 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.263 -1.570 -15.503 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.816 -3.046 -16.824 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.175 -2.252 -16.053 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.420 -0.074 -17.027 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.116 -0.912 -17.843 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.838 -2.387 -18.961 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.094 -1.410 -18.228 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.258 0.274 -19.675 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.858 -2.080 -20.168 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.352 -1.371 -21.709 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.910 1.166 -21.644 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.257 0.453 -22.538 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.937 0.307 -14.017 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.341 1.531 -13.342 1.00 0.00 C ATOM 1851 C PHE A 116 -4.563 2.642 -14.357 1.00 0.00 C ATOM 1852 O PHE A 116 -3.614 3.125 -14.979 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.287 1.965 -12.321 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.369 1.248 -10.999 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.710 0.046 -10.791 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -4.101 1.793 -9.957 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -2.781 -0.595 -9.566 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -4.177 1.157 -8.734 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.518 -0.038 -8.536 1.00 0.00 C ATOM 0 H PHE A 116 -2.930 0.208 -14.146 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.274 1.335 -12.814 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.297 1.803 -12.748 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.387 3.036 -12.146 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.136 -0.395 -11.593 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.620 2.729 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -2.261 -1.530 -9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.753 1.595 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.577 -0.537 -7.580 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.815 3.028 -14.533 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.166 4.071 -15.482 1.00 0.00 C ATOM 1871 C ILE A 117 -6.558 5.352 -14.757 1.00 0.00 C ATOM 1872 O ILE A 117 -7.629 5.432 -14.149 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.332 3.632 -16.396 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.004 2.298 -17.073 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.624 4.704 -17.441 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.146 1.736 -17.893 1.00 0.00 C ATOM 0 H ILE A 117 -6.609 2.633 -14.029 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.285 4.255 -16.097 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.223 3.499 -15.782 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.136 2.432 -17.719 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.725 1.572 -16.310 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.448 4.378 -18.076 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.896 5.634 -16.942 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.737 4.867 -18.053 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.841 0.791 -18.342 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.009 1.569 -17.249 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.411 2.443 -18.679 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.688 6.348 -14.809 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.970 7.639 -14.202 1.00 0.00 C ATOM 1890 C ILE A 118 -6.638 8.548 -15.227 1.00 0.00 C ATOM 1891 O ILE A 118 -5.973 9.119 -16.092 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.687 8.316 -13.671 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.911 7.353 -12.767 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.039 9.592 -12.914 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.589 7.904 -12.275 1.00 0.00 C ATOM 0 H ILE A 118 -4.778 6.287 -15.267 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.635 7.472 -13.355 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.054 8.579 -14.519 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.530 7.099 -11.907 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.727 6.427 -13.312 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.126 10.060 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.555 10.281 -13.583 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.688 9.349 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.100 7.164 -11.642 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.950 8.131 -13.128 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.765 8.814 -11.701 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.957 8.654 -15.137 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.735 9.419 -16.106 1.00 0.00 C ATOM 1909 C VAL A 119 -8.442 10.910 -15.994 1.00 0.00 C ATOM 1910 O VAL A 119 -8.219 11.588 -16.999 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.250 9.176 -15.928 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.050 9.933 -16.981 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.562 7.689 -15.988 1.00 0.00 C ATOM 0 H VAL A 119 -8.513 8.219 -14.401 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.438 9.074 -17.097 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.541 9.552 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.114 9.746 -16.834 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.854 11.001 -16.889 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.756 9.595 -17.974 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.634 7.537 -15.861 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.251 7.291 -16.954 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.025 7.172 -15.193 1.00 0.00 H new ATOM 1923 N SER A 120 -8.425 11.415 -14.770 1.00 0.00 N ATOM 1924 CA SER A 120 -8.169 12.824 -14.540 1.00 0.00 C ATOM 1925 C SER A 120 -7.676 13.039 -13.114 1.00 0.00 C ATOM 1926 O SER A 120 -7.638 12.100 -12.313 1.00 0.00 O ATOM 1927 CB SER A 120 -9.438 13.645 -14.796 1.00 0.00 C ATOM 1928 OG SER A 120 -9.138 15.023 -14.938 1.00 0.00 O ATOM 0 H SER A 120 -8.585 10.869 -13.923 1.00 0.00 H new ATOM 0 HA SER A 120 -7.396 13.159 -15.232 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.932 13.283 -15.697 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.137 13.506 -13.971 1.00 0.00 H new ATOM 0 HG SER A 120 -9.965 15.523 -15.102 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.310 14.271 -12.803 1.00 0.00 N ATOM 1935 CA ALA A 121 -6.807 14.619 -11.487 1.00 0.00 C ATOM 1936 C ALA A 121 -7.241 16.030 -11.118 1.00 0.00 C ATOM 1937 O ALA A 121 -7.842 16.732 -11.932 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.290 14.497 -11.452 1.00 0.00 C ATOM 0 H ALA A 121 -7.353 15.055 -13.454 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.223 13.926 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.927 14.761 -10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.002 13.471 -11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.854 15.171 -12.189 1.00 0.00 H new ATOM 1944 N PHE A 122 -6.943 16.439 -9.892 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.279 17.780 -9.431 1.00 0.00 C ATOM 1946 C PHE A 122 -6.271 18.794 -9.961 1.00 0.00 C ATOM 1947 O PHE A 122 -6.509 20.000 -9.928 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.310 17.827 -7.902 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.331 16.911 -7.287 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.633 17.338 -7.088 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -7.983 15.626 -6.900 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.571 16.502 -6.515 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -8.917 14.785 -6.328 1.00 0.00 C ATOM 1954 CZ PHE A 122 -10.212 15.223 -6.134 1.00 0.00 C ATOM 0 H PHE A 122 -6.469 15.861 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.268 18.035 -9.812 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.323 17.565 -7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.514 18.849 -7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.918 18.337 -7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.971 15.279 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.583 16.847 -6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -8.635 13.785 -6.033 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.943 14.567 -5.685 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.145 18.291 -10.443 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.102 19.134 -11.010 1.00 0.00 C ATOM 1966 C ASP A 123 -3.603 18.503 -12.305 1.00 0.00 C ATOM 1967 O ASP A 123 -3.835 17.318 -12.540 1.00 0.00 O ATOM 1968 CB ASP A 123 -2.948 19.306 -10.012 1.00 0.00 C ATOM 1969 CG ASP A 123 -1.880 20.263 -10.507 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -2.014 21.486 -10.292 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -0.899 19.801 -11.124 1.00 0.00 O ATOM 0 H ASP A 123 -4.929 17.294 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.509 20.122 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.345 19.670 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.496 18.334 -9.816 1.00 0.00 H new ATOM 1976 N HIS A 124 -2.930 19.288 -13.138 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.446 18.802 -14.425 1.00 0.00 C ATOM 1978 C HIS A 124 -1.295 17.818 -14.228 1.00 0.00 C ATOM 1979 O HIS A 124 -0.980 17.028 -15.119 1.00 0.00 O ATOM 1980 CB HIS A 124 -1.999 19.979 -15.297 1.00 0.00 C ATOM 1981 CG HIS A 124 -1.758 19.626 -16.735 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -2.775 19.459 -17.646 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -0.607 19.437 -17.423 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -2.264 19.184 -18.829 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -0.949 19.167 -18.726 1.00 0.00 N ATOM 0 H HIS A 124 -2.707 20.264 -12.945 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.260 18.281 -14.929 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.758 20.760 -15.249 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.083 20.398 -14.880 1.00 0.00 H new ATOM 0 HD2 HIS A 124 0.394 19.489 -17.022 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.828 19.003 -19.732 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.295 18.984 -19.487 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.664 17.876 -13.064 1.00 0.00 N ATOM 1994 CA PHE A 125 0.401 16.949 -12.734 1.00 0.00 C ATOM 1995 C PHE A 125 0.044 16.159 -11.485 1.00 0.00 C ATOM 1996 O PHE A 125 -0.206 16.729 -10.421 1.00 0.00 O ATOM 1997 CB PHE A 125 1.721 17.694 -12.518 1.00 0.00 C ATOM 1998 CG PHE A 125 2.202 18.438 -13.729 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.965 17.798 -14.690 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.891 19.778 -13.906 1.00 0.00 C ATOM 2001 CE1 PHE A 125 3.409 18.478 -15.806 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.332 20.462 -15.020 1.00 0.00 C ATOM 2003 CZ PHE A 125 3.092 19.810 -15.971 1.00 0.00 C ATOM 0 H PHE A 125 -0.874 18.557 -12.334 1.00 0.00 H new ATOM 0 HA PHE A 125 0.523 16.260 -13.570 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.599 18.398 -11.695 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.486 16.979 -12.215 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.216 16.755 -14.565 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.297 20.291 -13.164 1.00 0.00 H new ATOM 0 HE1 PHE A 125 4.004 17.968 -16.549 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.083 21.505 -15.148 1.00 0.00 H new ATOM 0 HZ PHE A 125 3.438 20.343 -16.844 1.00 0.00 H new ATOM 2013 N ALA A 126 0.026 14.849 -11.623 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.231 13.967 -10.505 1.00 0.00 C ATOM 2015 C ALA A 126 1.049 13.249 -10.114 1.00 0.00 C ATOM 2016 O ALA A 126 1.991 13.160 -10.907 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.328 12.969 -10.849 1.00 0.00 C ATOM 0 H ALA A 126 0.188 14.369 -12.508 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.574 14.560 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.506 12.315 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.245 13.506 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.020 12.370 -11.706 1.00 0.00 H new ATOM 2023 N SER A 127 1.086 12.743 -8.899 1.00 0.00 N ATOM 2024 CA SER A 127 2.267 12.078 -8.396 1.00 0.00 C ATOM 2025 C SER A 127 1.887 10.799 -7.672 1.00 0.00 C ATOM 2026 O SER A 127 1.040 10.808 -6.782 1.00 0.00 O ATOM 2027 CB SER A 127 3.035 13.015 -7.460 1.00 0.00 C ATOM 2028 OG SER A 127 4.129 12.354 -6.851 1.00 0.00 O ATOM 0 H SER A 127 0.308 12.780 -8.240 1.00 0.00 H new ATOM 0 HA SER A 127 2.909 11.817 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.395 13.877 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.363 13.394 -6.690 1.00 0.00 H new ATOM 0 HG SER A 127 4.937 12.498 -7.386 1.00 0.00 H new ATOM 2034 N VAL A 128 2.497 9.700 -8.075 1.00 0.00 N ATOM 2035 CA VAL A 128 2.293 8.429 -7.409 1.00 0.00 C ATOM 2036 C VAL A 128 3.646 7.791 -7.105 1.00 0.00 C ATOM 2037 O VAL A 128 4.489 7.645 -7.992 1.00 0.00 O ATOM 2038 CB VAL A 128 1.411 7.472 -8.250 1.00 0.00 C ATOM 2039 CG1 VAL A 128 1.974 7.286 -9.652 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.252 6.126 -7.554 1.00 0.00 C ATOM 0 H VAL A 128 3.141 9.663 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 128 1.761 8.613 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 128 0.426 7.930 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.332 6.609 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.017 8.251 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.977 6.865 -9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.629 5.472 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.232 5.669 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.781 6.272 -6.582 1.00 0.00 H new ATOM 2050 N HIS A 129 3.875 7.449 -5.845 1.00 0.00 N ATOM 2051 CA HIS A 129 5.139 6.843 -5.462 1.00 0.00 C ATOM 2052 C HIS A 129 5.095 5.343 -5.683 1.00 0.00 C ATOM 2053 O HIS A 129 6.033 4.771 -6.223 1.00 0.00 O ATOM 2054 CB HIS A 129 5.498 7.138 -3.999 1.00 0.00 C ATOM 2055 CG HIS A 129 6.733 6.408 -3.545 1.00 0.00 C ATOM 2056 ND1 HIS A 129 6.744 5.525 -2.488 1.00 0.00 N ATOM 2057 CD2 HIS A 129 7.994 6.412 -4.040 1.00 0.00 C ATOM 2058 CE1 HIS A 129 7.954 5.017 -2.353 1.00 0.00 C ATOM 2059 NE2 HIS A 129 8.733 5.537 -3.284 1.00 0.00 N ATOM 0 H HIS A 129 3.212 7.579 -5.081 1.00 0.00 H new ATOM 0 HA HIS A 129 5.911 7.284 -6.093 1.00 0.00 H new ATOM 0 HB2 HIS A 129 5.649 8.210 -3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.660 6.858 -3.360 1.00 0.00 H new ATOM 0 HD1 HIS A 129 5.941 5.299 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.352 6.996 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.257 4.297 -1.607 1.00 0.00 H new ATOM 2067 N SER A 130 4.015 4.714 -5.242 1.00 0.00 N ATOM 2068 CA SER A 130 3.875 3.271 -5.356 1.00 0.00 C ATOM 2069 C SER A 130 2.419 2.853 -5.219 1.00 0.00 C ATOM 2070 O SER A 130 1.701 3.337 -4.343 1.00 0.00 O ATOM 2071 CB SER A 130 4.710 2.556 -4.283 1.00 0.00 C ATOM 2072 OG SER A 130 6.092 2.843 -4.423 1.00 0.00 O ATOM 0 H SER A 130 3.223 5.182 -4.802 1.00 0.00 H new ATOM 0 HA SER A 130 4.237 2.984 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.372 2.863 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.552 1.480 -4.354 1.00 0.00 H new ATOM 0 HG SER A 130 6.255 3.247 -5.301 1.00 0.00 H new ATOM 2078 N VAL A 131 1.985 1.977 -6.109 1.00 0.00 N ATOM 2079 CA VAL A 131 0.694 1.325 -5.981 1.00 0.00 C ATOM 2080 C VAL A 131 0.909 -0.172 -5.788 1.00 0.00 C ATOM 2081 O VAL A 131 1.006 -0.939 -6.747 1.00 0.00 O ATOM 2082 CB VAL A 131 -0.226 1.595 -7.195 1.00 0.00 C ATOM 2083 CG1 VAL A 131 -0.840 2.985 -7.101 1.00 0.00 C ATOM 2084 CG2 VAL A 131 0.541 1.455 -8.502 1.00 0.00 C ATOM 0 H VAL A 131 2.514 1.699 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 131 0.187 1.743 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 131 -1.024 0.853 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.484 3.157 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.429 3.062 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.047 3.733 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -0.129 1.650 -9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.363 2.171 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 131 0.939 0.444 -8.584 1.00 0.00 H new ATOM 2094 N SER A 132 1.015 -0.575 -4.536 1.00 0.00 N ATOM 2095 CA SER A 132 1.397 -1.935 -4.203 1.00 0.00 C ATOM 2096 C SER A 132 0.183 -2.813 -3.962 1.00 0.00 C ATOM 2097 O SER A 132 -0.880 -2.326 -3.572 1.00 0.00 O ATOM 2098 CB SER A 132 2.278 -1.930 -2.959 1.00 0.00 C ATOM 2099 OG SER A 132 3.393 -1.072 -3.125 1.00 0.00 O ATOM 0 H SER A 132 0.841 0.023 -3.729 1.00 0.00 H new ATOM 0 HA SER A 132 1.948 -2.346 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.693 -1.608 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.623 -2.943 -2.750 1.00 0.00 H new ATOM 0 HG SER A 132 4.095 -1.321 -2.488 1.00 0.00 H new ATOM 2105 N ALA A 133 0.347 -4.109 -4.186 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.709 -5.057 -3.918 1.00 0.00 C ATOM 2107 C ALA A 133 -0.243 -5.989 -2.827 1.00 0.00 C ATOM 2108 O ALA A 133 0.773 -6.650 -2.974 1.00 0.00 O ATOM 2109 CB ALA A 133 -1.070 -5.831 -5.177 1.00 0.00 C ATOM 0 H ALA A 133 1.204 -4.522 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.607 -4.531 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.867 -6.539 -4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.407 -5.137 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -0.194 -6.372 -5.535 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.950 -6.013 -1.725 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.530 -6.803 -0.591 1.00 0.00 C ATOM 2117 C GLU A 134 -1.338 -8.076 -0.486 1.00 0.00 C ATOM 2118 O GLU A 134 -2.505 -8.128 -0.878 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.640 -5.999 0.692 1.00 0.00 C ATOM 2120 CG GLU A 134 0.242 -4.767 0.697 1.00 0.00 C ATOM 2121 CD GLU A 134 0.126 -4.003 1.986 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -1.009 -3.680 2.376 1.00 0.00 O ATOM 2123 OE2 GLU A 134 1.164 -3.725 2.621 1.00 0.00 O ATOM 0 H GLU A 134 -1.818 -5.496 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 134 0.515 -7.076 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.677 -5.697 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.372 -6.634 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.280 -5.062 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.033 -4.119 -0.135 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.699 -9.089 0.049 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.291 -10.391 0.152 1.00 0.00 C ATOM 2132 C GLY A 135 -0.206 -11.426 0.253 1.00 0.00 C ATOM 2133 O GLY A 135 0.790 -11.207 0.943 1.00 0.00 O ATOM 0 H GLY A 135 0.248 -9.028 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.938 -10.440 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.917 -10.588 -0.718 1.00 0.00 H new ATOM 2137 N THR A 136 -0.361 -12.531 -0.448 1.00 0.00 N ATOM 2138 CA THR A 136 0.649 -13.574 -0.434 1.00 0.00 C ATOM 2139 C THR A 136 0.741 -14.254 -1.798 1.00 0.00 C ATOM 2140 O THR A 136 -0.221 -14.251 -2.573 1.00 0.00 O ATOM 2141 CB THR A 136 0.356 -14.614 0.672 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.003 -15.059 0.583 1.00 0.00 O ATOM 2143 CG2 THR A 136 0.610 -14.021 2.054 1.00 0.00 C ATOM 0 H THR A 136 -1.172 -12.731 -1.033 1.00 0.00 H new ATOM 0 HA THR A 136 1.610 -13.108 -0.215 1.00 0.00 H new ATOM 0 HB THR A 136 1.025 -15.462 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 136 -1.178 -15.719 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 136 0.397 -14.771 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.652 -13.711 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.038 -13.157 2.204 1.00 0.00 H new ATOM 2151 N VAL A 137 1.906 -14.810 -2.101 1.00 0.00 N ATOM 2152 CA VAL A 137 2.137 -15.459 -3.385 1.00 0.00 C ATOM 2153 C VAL A 137 1.603 -16.887 -3.367 1.00 0.00 C ATOM 2154 O VAL A 137 2.059 -17.717 -2.578 1.00 0.00 O ATOM 2155 CB VAL A 137 3.640 -15.477 -3.737 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.869 -16.079 -5.117 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.221 -14.074 -3.661 1.00 0.00 C ATOM 0 H VAL A 137 2.709 -14.825 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 137 1.606 -14.885 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 137 4.153 -16.103 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.936 -16.080 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.493 -17.102 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.342 -15.486 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.281 -14.105 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.700 -13.426 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.099 -13.684 -2.651 1.00 0.00 H new ATOM 2167 N VAL A 138 0.637 -17.165 -4.232 1.00 0.00 N ATOM 2168 CA VAL A 138 0.004 -18.478 -4.276 1.00 0.00 C ATOM 2169 C VAL A 138 0.688 -19.372 -5.306 1.00 0.00 C ATOM 2170 O VAL A 138 0.866 -20.571 -5.089 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.499 -18.368 -4.616 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -2.187 -19.715 -4.459 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.175 -17.319 -3.748 1.00 0.00 C ATOM 0 H VAL A 138 0.274 -16.499 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 138 0.108 -18.920 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.587 -18.057 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -3.244 -19.614 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.727 -20.439 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.084 -20.059 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.232 -17.260 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.072 -17.594 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.706 -16.350 -3.917 1.00 0.00 H new ATOM 2183 N SER A 139 1.074 -18.776 -6.425 1.00 0.00 N ATOM 2184 CA SER A 139 1.734 -19.507 -7.493 1.00 0.00 C ATOM 2185 C SER A 139 2.932 -18.707 -7.997 1.00 0.00 C ATOM 2186 O SER A 139 2.928 -17.473 -7.946 1.00 0.00 O ATOM 2187 CB SER A 139 0.740 -19.779 -8.629 1.00 0.00 C ATOM 2188 OG SER A 139 1.284 -20.650 -9.608 1.00 0.00 O ATOM 0 H SER A 139 0.940 -17.783 -6.616 1.00 0.00 H new ATOM 0 HA SER A 139 2.092 -20.465 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.170 -20.217 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.457 -18.837 -9.098 1.00 0.00 H new ATOM 0 HG SER A 139 0.622 -20.802 -10.315 1.00 0.00 H new