USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 917 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -158:sc= -0.209 (180deg=-0.747) USER MOD Set 2.1: A 89 CYS SG : rot -94:sc= 0.406 USER MOD Set 2.2: A 93 ASN : amide:sc= -0.368 X(o=0.037,f=-0.36) USER MOD Set 3.1: A 17 CYS SG : rot -46:sc= -7.66! USER MOD Set 3.2: A 67 MET CE :methyl -139:sc= -3.73! (180deg=-3.29!) USER MOD Set 4.1: A 29 HIS : no HE2:sc= 1.28 K(o=2.4,f=-7.7!) USER MOD Set 4.2: A 32 TYR OH : rot -165:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.0976 USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0285 (180deg=-0.272) USER MOD Single : A 11 SER OG : rot 106:sc= -0.0306 USER MOD Single : A 13 HIS : no HD1:sc=-0.00334 X(o=-0.0033,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -84:sc= 0.715 USER MOD Single : A 24 MET CE :methyl 162:sc= 0 (180deg=-0.508) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.193 (180deg=-1.01) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.018) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-0.92) USER MOD Single : A 58 MET CE :methyl 161:sc= -0.122 (180deg=-0.616) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 18:sc= -1.45! USER MOD Single : A 76 GLN : amide:sc= -1.88! C(o=-1.9!,f=-1.9!) USER MOD Single : A 85 MET CE :methyl -109:sc= -0.0767 (180deg=-0.682) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 30:sc= -0.012 USER MOD Single : A 97 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-3.9!) USER MOD Single : A 102 MET CE :methyl -129:sc= -2.31 (180deg=-7.56!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 171:sc= -0.809 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.276 16.923 -10.585 1.00 0.00 N ATOM 2 CA GLY A 1 6.013 15.921 -9.838 1.00 0.00 C ATOM 3 C GLY A 1 7.174 16.512 -9.063 1.00 0.00 C ATOM 4 O GLY A 1 7.013 16.941 -7.921 1.00 0.00 O ATOM 0 H1 GLY A 1 4.493 16.468 -11.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.894 17.634 -9.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.912 17.386 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.337 15.418 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.388 15.163 -10.525 1.00 0.00 H new ATOM 8 N SER A 2 8.349 16.534 -9.685 1.00 0.00 N ATOM 9 CA SER A 2 9.543 17.072 -9.045 1.00 0.00 C ATOM 10 C SER A 2 9.385 18.563 -8.765 1.00 0.00 C ATOM 11 O SER A 2 9.668 19.032 -7.663 1.00 0.00 O ATOM 12 CB SER A 2 10.771 16.835 -9.927 1.00 0.00 C ATOM 13 OG SER A 2 11.382 15.592 -9.627 1.00 0.00 O ATOM 0 H SER A 2 8.499 16.185 -10.632 1.00 0.00 H new ATOM 0 HA SER A 2 9.680 16.554 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.478 16.856 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.489 17.642 -9.780 1.00 0.00 H new ATOM 0 HG SER A 2 12.163 15.463 -10.205 1.00 0.00 H new ATOM 19 N SER A 3 8.930 19.303 -9.771 1.00 0.00 N ATOM 20 CA SER A 3 8.737 20.742 -9.636 1.00 0.00 C ATOM 21 C SER A 3 7.931 21.066 -8.382 1.00 0.00 C ATOM 22 O SER A 3 8.285 21.963 -7.617 1.00 0.00 O ATOM 23 CB SER A 3 8.027 21.301 -10.871 1.00 0.00 C ATOM 24 OG SER A 3 8.931 21.464 -11.949 1.00 0.00 O ATOM 0 H SER A 3 8.688 18.930 -10.689 1.00 0.00 H new ATOM 0 HA SER A 3 9.718 21.209 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.221 20.629 -11.166 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.569 22.260 -10.628 1.00 0.00 H new ATOM 0 HG SER A 3 8.452 21.821 -12.726 1.00 0.00 H new ATOM 30 N GLY A 4 6.844 20.328 -8.177 1.00 0.00 N ATOM 31 CA GLY A 4 6.004 20.552 -7.015 1.00 0.00 C ATOM 32 C GLY A 4 6.631 20.029 -5.737 1.00 0.00 C ATOM 33 O GLY A 4 6.884 18.832 -5.607 1.00 0.00 O ATOM 0 H GLY A 4 6.530 19.579 -8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.810 21.620 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.040 20.067 -7.168 1.00 0.00 H new ATOM 37 N SER A 5 6.882 20.929 -4.792 1.00 0.00 N ATOM 38 CA SER A 5 7.489 20.553 -3.521 1.00 0.00 C ATOM 39 C SER A 5 6.447 19.963 -2.575 1.00 0.00 C ATOM 40 O SER A 5 5.444 20.604 -2.262 1.00 0.00 O ATOM 41 CB SER A 5 8.154 21.768 -2.870 1.00 0.00 C ATOM 42 OG SER A 5 8.499 21.499 -1.522 1.00 0.00 O ATOM 0 H SER A 5 6.674 21.924 -4.883 1.00 0.00 H new ATOM 0 HA SER A 5 8.247 19.795 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.048 22.041 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.479 22.622 -2.912 1.00 0.00 H new ATOM 0 HG SER A 5 8.924 22.290 -1.129 1.00 0.00 H new ATOM 48 N SER A 6 6.693 18.737 -2.125 1.00 0.00 N ATOM 49 CA SER A 6 5.775 18.057 -1.218 1.00 0.00 C ATOM 50 C SER A 6 6.103 18.387 0.235 1.00 0.00 C ATOM 51 O SER A 6 7.230 18.192 0.688 1.00 0.00 O ATOM 52 CB SER A 6 5.837 16.544 -1.437 1.00 0.00 C ATOM 53 OG SER A 6 7.174 16.077 -1.397 1.00 0.00 O ATOM 0 H SER A 6 7.520 18.194 -2.373 1.00 0.00 H new ATOM 0 HA SER A 6 4.765 18.407 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.249 16.038 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.390 16.294 -2.399 1.00 0.00 H new ATOM 0 HG SER A 6 7.668 16.558 -0.700 1.00 0.00 H new ATOM 59 N GLY A 7 5.108 18.888 0.960 1.00 0.00 N ATOM 60 CA GLY A 7 5.309 19.237 2.354 1.00 0.00 C ATOM 61 C GLY A 7 4.110 19.943 2.954 1.00 0.00 C ATOM 62 O GLY A 7 3.175 20.308 2.242 1.00 0.00 O ATOM 0 H GLY A 7 4.166 19.058 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.517 18.332 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.186 19.879 2.442 1.00 0.00 H new ATOM 66 N GLY A 8 4.135 20.135 4.270 1.00 0.00 N ATOM 67 CA GLY A 8 3.034 20.800 4.944 1.00 0.00 C ATOM 68 C GLY A 8 2.502 19.998 6.114 1.00 0.00 C ATOM 69 O GLY A 8 3.234 19.225 6.732 1.00 0.00 O ATOM 0 H GLY A 8 4.897 19.842 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.365 21.777 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.228 20.975 4.231 1.00 0.00 H new ATOM 73 N LYS A 9 1.223 20.182 6.423 1.00 0.00 N ATOM 74 CA LYS A 9 0.591 19.471 7.528 1.00 0.00 C ATOM 75 C LYS A 9 -0.720 18.830 7.083 1.00 0.00 C ATOM 76 O LYS A 9 -1.080 18.881 5.907 1.00 0.00 O ATOM 77 CB LYS A 9 0.335 20.425 8.696 1.00 0.00 C ATOM 78 CG LYS A 9 -0.482 21.647 8.315 1.00 0.00 C ATOM 79 CD LYS A 9 0.401 22.769 7.795 1.00 0.00 C ATOM 80 CE LYS A 9 1.171 23.440 8.922 1.00 0.00 C ATOM 81 NZ LYS A 9 0.270 24.196 9.836 1.00 0.00 N ATOM 0 H LYS A 9 0.603 20.819 5.923 1.00 0.00 H new ATOM 0 HA LYS A 9 1.268 18.682 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.183 19.885 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.292 20.751 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.212 21.374 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.042 21.996 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.102 22.372 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.213 23.509 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.714 22.685 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.913 24.118 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.829 24.873 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.440 24.710 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.209 23.533 10.478 1.00 0.00 H new ATOM 95 N LEU A 10 -1.430 18.229 8.032 1.00 0.00 N ATOM 96 CA LEU A 10 -2.703 17.579 7.738 1.00 0.00 C ATOM 97 C LEU A 10 -3.651 18.537 7.023 1.00 0.00 C ATOM 98 O LEU A 10 -3.912 19.640 7.501 1.00 0.00 O ATOM 99 CB LEU A 10 -3.350 17.074 9.029 1.00 0.00 C ATOM 100 CG LEU A 10 -2.661 15.887 9.704 1.00 0.00 C ATOM 101 CD1 LEU A 10 -3.181 15.704 11.122 1.00 0.00 C ATOM 102 CD2 LEU A 10 -2.868 14.617 8.891 1.00 0.00 C ATOM 0 H LEU A 10 -1.146 18.178 9.010 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.507 16.732 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.388 17.899 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.381 16.794 8.810 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.592 16.093 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.680 14.855 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.981 16.605 11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.255 15.521 11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.371 13.783 9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.934 14.407 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.447 14.750 7.894 1.00 0.00 H new ATOM 114 N SER A 11 -4.164 18.105 5.875 1.00 0.00 N ATOM 115 CA SER A 11 -5.082 18.925 5.092 1.00 0.00 C ATOM 116 C SER A 11 -6.528 18.504 5.335 1.00 0.00 C ATOM 117 O SER A 11 -6.790 17.503 6.001 1.00 0.00 O ATOM 118 CB SER A 11 -4.751 18.817 3.602 1.00 0.00 C ATOM 119 OG SER A 11 -3.432 19.264 3.339 1.00 0.00 O ATOM 0 H SER A 11 -3.960 17.193 5.467 1.00 0.00 H new ATOM 0 HA SER A 11 -4.965 19.961 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.860 17.783 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.461 19.409 3.025 1.00 0.00 H new ATOM 0 HG SER A 11 -2.856 18.493 3.156 1.00 0.00 H new ATOM 125 N GLU A 12 -7.462 19.277 4.791 1.00 0.00 N ATOM 126 CA GLU A 12 -8.882 18.985 4.949 1.00 0.00 C ATOM 127 C GLU A 12 -9.203 17.571 4.474 1.00 0.00 C ATOM 128 O GLU A 12 -9.949 16.840 5.126 1.00 0.00 O ATOM 129 CB GLU A 12 -9.724 20.000 4.172 1.00 0.00 C ATOM 130 CG GLU A 12 -11.209 19.680 4.165 1.00 0.00 C ATOM 131 CD GLU A 12 -11.932 20.238 5.376 1.00 0.00 C ATOM 132 OE1 GLU A 12 -12.095 21.473 5.453 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.335 19.438 6.246 1.00 0.00 O ATOM 0 H GLU A 12 -7.261 20.110 4.237 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.126 19.057 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.576 20.989 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.366 20.045 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.660 20.085 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.344 18.599 4.132 1.00 0.00 H new ATOM 140 N HIS A 13 -8.636 17.193 3.333 1.00 0.00 N ATOM 141 CA HIS A 13 -8.861 15.867 2.770 1.00 0.00 C ATOM 142 C HIS A 13 -8.066 14.811 3.532 1.00 0.00 C ATOM 143 O HIS A 13 -8.619 13.805 3.978 1.00 0.00 O ATOM 144 CB HIS A 13 -8.473 15.845 1.291 1.00 0.00 C ATOM 145 CG HIS A 13 -9.391 16.646 0.419 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.974 17.274 -0.736 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.711 16.918 0.538 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.999 17.899 -1.288 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.065 17.698 -0.535 1.00 0.00 N ATOM 0 H HIS A 13 -8.017 17.786 2.780 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.922 15.635 2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.458 16.228 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.463 14.812 0.942 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.365 16.584 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.970 18.476 -2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.999 18.063 -0.720 1.00 0.00 H new ATOM 157 N LEU A 14 -6.767 15.046 3.676 1.00 0.00 N ATOM 158 CA LEU A 14 -5.895 14.114 4.384 1.00 0.00 C ATOM 159 C LEU A 14 -6.488 13.734 5.737 1.00 0.00 C ATOM 160 O LEU A 14 -6.638 12.553 6.050 1.00 0.00 O ATOM 161 CB LEU A 14 -4.508 14.729 4.577 1.00 0.00 C ATOM 162 CG LEU A 14 -3.364 13.744 4.819 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.081 12.936 3.562 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.113 14.480 5.275 1.00 0.00 C ATOM 0 H LEU A 14 -6.294 15.873 3.312 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.804 13.210 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.269 15.322 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.552 15.418 5.421 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.664 13.056 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.264 12.240 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.974 12.378 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.802 13.610 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.310 13.763 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.810 15.192 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.322 15.013 6.202 1.00 0.00 H new ATOM 176 N ARG A 15 -6.825 14.743 6.534 1.00 0.00 N ATOM 177 CA ARG A 15 -7.402 14.514 7.853 1.00 0.00 C ATOM 178 C ARG A 15 -8.420 13.378 7.811 1.00 0.00 C ATOM 179 O ARG A 15 -8.638 12.689 8.808 1.00 0.00 O ATOM 180 CB ARG A 15 -8.069 15.791 8.369 1.00 0.00 C ATOM 181 CG ARG A 15 -7.088 16.801 8.942 1.00 0.00 C ATOM 182 CD ARG A 15 -7.808 18.004 9.531 1.00 0.00 C ATOM 183 NE ARG A 15 -7.005 19.220 9.441 1.00 0.00 N ATOM 184 CZ ARG A 15 -7.483 20.436 9.678 1.00 0.00 C ATOM 185 NH1 ARG A 15 -8.755 20.598 10.018 1.00 0.00 N ATOM 186 NH2 ARG A 15 -6.689 21.495 9.576 1.00 0.00 N ATOM 0 H ARG A 15 -6.708 15.726 6.289 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.596 14.232 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.622 16.257 7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.796 15.527 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.482 16.325 9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.405 17.131 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.752 18.154 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.050 17.806 10.575 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.023 19.131 9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.369 19.787 10.098 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.119 21.533 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.710 21.375 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.058 22.428 9.758 1.00 0.00 H new ATOM 200 N TYR A 16 -9.039 13.188 6.652 1.00 0.00 N ATOM 201 CA TYR A 16 -10.036 12.137 6.481 1.00 0.00 C ATOM 202 C TYR A 16 -9.376 10.822 6.077 1.00 0.00 C ATOM 203 O TYR A 16 -9.769 9.750 6.540 1.00 0.00 O ATOM 204 CB TYR A 16 -11.066 12.548 5.428 1.00 0.00 C ATOM 205 CG TYR A 16 -12.071 11.464 5.108 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.799 10.500 4.146 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.292 11.405 5.769 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.714 9.508 3.850 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.212 10.416 5.480 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.919 9.470 4.519 1.00 0.00 C ATOM 211 OH TYR A 16 -14.833 8.484 4.228 1.00 0.00 O ATOM 0 H TYR A 16 -8.869 13.748 5.816 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.541 11.992 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.598 13.433 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.545 12.830 4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.856 10.526 3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.525 12.144 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.487 8.766 3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.156 10.383 6.004 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.628 8.600 4.789 1.00 0.00 H new ATOM 221 N CYS A 17 -8.373 10.912 5.211 1.00 0.00 N ATOM 222 CA CYS A 17 -7.658 9.730 4.743 1.00 0.00 C ATOM 223 C CYS A 17 -7.017 8.985 5.909 1.00 0.00 C ATOM 224 O CYS A 17 -6.942 7.756 5.909 1.00 0.00 O ATOM 225 CB CYS A 17 -6.587 10.126 3.725 1.00 0.00 C ATOM 226 SG CYS A 17 -5.036 10.688 4.465 1.00 0.00 S ATOM 0 H CYS A 17 -8.036 11.791 4.819 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.378 9.067 4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.381 9.272 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.981 10.918 3.089 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.292 11.533 5.420 1.00 0.00 H new ATOM 232 N ASP A 18 -6.554 9.737 6.902 1.00 0.00 N ATOM 233 CA ASP A 18 -5.918 9.148 8.075 1.00 0.00 C ATOM 234 C ASP A 18 -6.756 8.000 8.628 1.00 0.00 C ATOM 235 O ASP A 18 -6.234 7.097 9.282 1.00 0.00 O ATOM 236 CB ASP A 18 -5.710 10.210 9.156 1.00 0.00 C ATOM 237 CG ASP A 18 -5.313 9.609 10.490 1.00 0.00 C ATOM 238 OD1 ASP A 18 -6.213 9.153 11.225 1.00 0.00 O ATOM 239 OD2 ASP A 18 -4.103 9.595 10.798 1.00 0.00 O ATOM 0 H ASP A 18 -6.607 10.755 6.918 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.948 8.754 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.938 10.908 8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.628 10.784 9.278 1.00 0.00 H new ATOM 244 N SER A 19 -8.057 8.041 8.361 1.00 0.00 N ATOM 245 CA SER A 19 -8.968 7.006 8.836 1.00 0.00 C ATOM 246 C SER A 19 -8.949 5.797 7.907 1.00 0.00 C ATOM 247 O SER A 19 -8.695 4.672 8.339 1.00 0.00 O ATOM 248 CB SER A 19 -10.391 7.559 8.943 1.00 0.00 C ATOM 249 OG SER A 19 -11.006 7.633 7.669 1.00 0.00 O ATOM 0 H SER A 19 -8.504 8.780 7.818 1.00 0.00 H new ATOM 0 HA SER A 19 -8.634 6.688 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.984 6.922 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.366 8.550 9.397 1.00 0.00 H new ATOM 0 HG SER A 19 -10.746 8.469 7.228 1.00 0.00 H new ATOM 255 N ILE A 20 -9.220 6.037 6.628 1.00 0.00 N ATOM 256 CA ILE A 20 -9.233 4.969 5.637 1.00 0.00 C ATOM 257 C ILE A 20 -8.100 3.978 5.881 1.00 0.00 C ATOM 258 O ILE A 20 -8.198 2.804 5.520 1.00 0.00 O ATOM 259 CB ILE A 20 -9.111 5.527 4.206 1.00 0.00 C ATOM 260 CG1 ILE A 20 -10.205 6.564 3.945 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.190 4.399 3.189 1.00 0.00 C ATOM 262 CD1 ILE A 20 -10.211 7.093 2.528 1.00 0.00 C ATOM 0 H ILE A 20 -9.433 6.962 6.254 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.190 4.456 5.739 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.142 6.015 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.176 6.118 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.076 7.398 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.102 4.809 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.378 3.693 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.146 3.885 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.012 7.823 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.254 7.568 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.371 6.269 1.833 1.00 0.00 H new ATOM 274 N LEU A 21 -7.026 4.457 6.499 1.00 0.00 N ATOM 275 CA LEU A 21 -5.874 3.612 6.795 1.00 0.00 C ATOM 276 C LEU A 21 -6.137 2.741 8.019 1.00 0.00 C ATOM 277 O LEU A 21 -5.825 1.550 8.025 1.00 0.00 O ATOM 278 CB LEU A 21 -4.631 4.474 7.026 1.00 0.00 C ATOM 279 CG LEU A 21 -3.379 3.733 7.497 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.059 2.578 6.562 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.198 4.688 7.592 1.00 0.00 C ATOM 0 H LEU A 21 -6.929 5.425 6.805 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.703 2.960 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.394 4.992 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.875 5.239 7.763 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.573 3.327 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.165 2.063 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.897 1.881 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.885 2.961 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.316 4.143 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.003 5.124 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.428 5.481 8.303 1.00 0.00 H new ATOM 293 N ARG A 22 -6.716 3.342 9.054 1.00 0.00 N ATOM 294 CA ARG A 22 -7.022 2.621 10.283 1.00 0.00 C ATOM 295 C ARG A 22 -7.986 1.469 10.012 1.00 0.00 C ATOM 296 O ARG A 22 -7.899 0.415 10.640 1.00 0.00 O ATOM 297 CB ARG A 22 -7.625 3.570 11.320 1.00 0.00 C ATOM 298 CG ARG A 22 -9.142 3.651 11.263 1.00 0.00 C ATOM 299 CD ARG A 22 -9.700 4.477 12.411 1.00 0.00 C ATOM 300 NE ARG A 22 -11.065 4.925 12.151 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.789 5.620 13.021 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.280 5.946 14.201 1.00 0.00 N ATOM 303 NH2 ARG A 22 -13.024 5.992 12.711 1.00 0.00 N ATOM 0 H ARG A 22 -6.982 4.327 9.065 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.091 2.210 10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.324 3.245 12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.211 4.567 11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.448 4.091 10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.563 2.646 11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.681 3.885 13.326 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.060 5.343 12.579 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.486 4.691 11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.330 5.663 14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.838 6.480 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.419 5.744 11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.579 6.526 13.380 1.00 0.00 H new ATOM 317 N GLU A 23 -8.902 1.680 9.072 1.00 0.00 N ATOM 318 CA GLU A 23 -9.882 0.659 8.719 1.00 0.00 C ATOM 319 C GLU A 23 -9.221 -0.495 7.972 1.00 0.00 C ATOM 320 O GLU A 23 -9.394 -1.660 8.329 1.00 0.00 O ATOM 321 CB GLU A 23 -10.996 1.264 7.862 1.00 0.00 C ATOM 322 CG GLU A 23 -11.631 0.273 6.902 1.00 0.00 C ATOM 323 CD GLU A 23 -13.048 0.656 6.521 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.855 0.925 7.436 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.351 0.687 5.310 1.00 0.00 O ATOM 0 H GLU A 23 -8.986 2.547 8.542 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.313 0.272 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.768 1.668 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.591 2.100 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.022 0.205 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.636 -0.717 7.358 1.00 0.00 H new ATOM 332 N MET A 24 -8.463 -0.162 6.933 1.00 0.00 N ATOM 333 CA MET A 24 -7.774 -1.171 6.135 1.00 0.00 C ATOM 334 C MET A 24 -6.871 -2.033 7.011 1.00 0.00 C ATOM 335 O MET A 24 -6.496 -3.143 6.630 1.00 0.00 O ATOM 336 CB MET A 24 -6.950 -0.504 5.032 1.00 0.00 C ATOM 337 CG MET A 24 -7.794 0.090 3.917 1.00 0.00 C ATOM 338 SD MET A 24 -7.017 1.522 3.144 1.00 0.00 S ATOM 339 CE MET A 24 -5.351 0.911 2.899 1.00 0.00 C ATOM 0 H MET A 24 -8.310 0.798 6.623 1.00 0.00 H new ATOM 0 HA MET A 24 -8.527 -1.813 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.339 0.284 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.266 -1.238 4.607 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.977 -0.672 3.160 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.765 0.381 4.317 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.841 1.531 2.162 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.807 0.948 3.843 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.390 -0.118 2.543 1.00 0.00 H new ATOM 349 N LEU A 25 -6.524 -1.516 8.185 1.00 0.00 N ATOM 350 CA LEU A 25 -5.664 -2.239 9.115 1.00 0.00 C ATOM 351 C LEU A 25 -6.483 -2.866 10.239 1.00 0.00 C ATOM 352 O LEU A 25 -5.980 -3.080 11.342 1.00 0.00 O ATOM 353 CB LEU A 25 -4.609 -1.299 9.700 1.00 0.00 C ATOM 354 CG LEU A 25 -3.308 -1.173 8.906 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.448 -0.051 9.465 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.545 -2.490 8.919 1.00 0.00 C ATOM 0 H LEU A 25 -6.825 -0.599 8.515 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.166 -3.037 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.049 -0.307 9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.366 -1.640 10.706 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.558 -0.931 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.527 0.024 8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.993 0.891 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.207 -0.262 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.622 -2.381 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.307 -2.762 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.159 -3.271 8.470 1.00 0.00 H new ATOM 368 N SER A 26 -7.747 -3.158 9.951 1.00 0.00 N ATOM 369 CA SER A 26 -8.637 -3.759 10.938 1.00 0.00 C ATOM 370 C SER A 26 -8.721 -5.270 10.745 1.00 0.00 C ATOM 371 O SER A 26 -8.715 -5.766 9.618 1.00 0.00 O ATOM 372 CB SER A 26 -10.033 -3.142 10.840 1.00 0.00 C ATOM 373 OG SER A 26 -10.938 -3.787 11.719 1.00 0.00 O ATOM 0 H SER A 26 -8.178 -2.988 9.042 1.00 0.00 H new ATOM 0 HA SER A 26 -8.228 -3.559 11.929 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.982 -2.080 11.080 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.398 -3.220 9.816 1.00 0.00 H new ATOM 0 HG SER A 26 -11.823 -3.373 11.639 1.00 0.00 H new ATOM 379 N LYS A 27 -8.798 -5.998 11.854 1.00 0.00 N ATOM 380 CA LYS A 27 -8.885 -7.453 11.810 1.00 0.00 C ATOM 381 C LYS A 27 -9.910 -7.906 10.776 1.00 0.00 C ATOM 382 O LYS A 27 -9.798 -8.994 10.210 1.00 0.00 O ATOM 383 CB LYS A 27 -9.258 -8.004 13.189 1.00 0.00 C ATOM 384 CG LYS A 27 -8.056 -8.330 14.059 1.00 0.00 C ATOM 385 CD LYS A 27 -7.616 -9.774 13.882 1.00 0.00 C ATOM 386 CE LYS A 27 -6.616 -9.916 12.744 1.00 0.00 C ATOM 387 NZ LYS A 27 -5.418 -9.056 12.948 1.00 0.00 N ATOM 0 H LYS A 27 -8.802 -5.604 12.795 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.908 -7.842 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.883 -7.275 13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.858 -8.905 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.231 -7.664 13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.303 -8.149 15.105 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.169 -10.135 14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.487 -10.399 13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.306 -10.958 12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.097 -9.651 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.597 -9.486 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.594 -8.114 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.224 -8.966 13.966 1.00 0.00 H new ATOM 401 N LYS A 28 -10.909 -7.065 10.532 1.00 0.00 N ATOM 402 CA LYS A 28 -11.953 -7.377 9.563 1.00 0.00 C ATOM 403 C LYS A 28 -11.360 -7.594 8.175 1.00 0.00 C ATOM 404 O LYS A 28 -11.569 -8.638 7.556 1.00 0.00 O ATOM 405 CB LYS A 28 -12.988 -6.250 9.516 1.00 0.00 C ATOM 406 CG LYS A 28 -14.058 -6.450 8.458 1.00 0.00 C ATOM 407 CD LYS A 28 -14.835 -7.736 8.687 1.00 0.00 C ATOM 408 CE LYS A 28 -16.033 -7.836 7.755 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.249 -7.209 8.345 1.00 0.00 N ATOM 0 H LYS A 28 -11.018 -6.161 10.992 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.442 -8.299 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.466 -6.166 10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.476 -5.306 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.744 -5.603 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.595 -6.474 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.178 -8.592 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.173 -7.779 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.798 -7.351 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.235 -8.884 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.043 -7.298 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.489 -7.688 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.065 -6.203 8.532 1.00 0.00 H new ATOM 423 N HIS A 29 -10.619 -6.603 7.691 1.00 0.00 N ATOM 424 CA HIS A 29 -9.993 -6.687 6.376 1.00 0.00 C ATOM 425 C HIS A 29 -8.674 -7.450 6.450 1.00 0.00 C ATOM 426 O HIS A 29 -8.077 -7.777 5.425 1.00 0.00 O ATOM 427 CB HIS A 29 -9.755 -5.287 5.810 1.00 0.00 C ATOM 428 CG HIS A 29 -11.018 -4.527 5.540 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.168 -5.123 5.068 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.307 -3.212 5.681 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.110 -4.207 4.928 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.613 -3.039 5.293 1.00 0.00 N ATOM 0 H HIS A 29 -10.437 -5.732 8.190 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.669 -7.228 5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.142 -4.720 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.186 -5.370 4.884 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.275 -6.116 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.636 -2.443 6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.115 -4.383 4.575 1.00 0.00 H new ATOM 440 N ALA A 30 -8.225 -7.729 7.669 1.00 0.00 N ATOM 441 CA ALA A 30 -6.977 -8.454 7.876 1.00 0.00 C ATOM 442 C ALA A 30 -6.984 -9.782 7.128 1.00 0.00 C ATOM 443 O ALA A 30 -5.932 -10.373 6.884 1.00 0.00 O ATOM 444 CB ALA A 30 -6.741 -8.683 9.362 1.00 0.00 C ATOM 0 H ALA A 30 -8.707 -7.464 8.528 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.162 -7.848 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.806 -9.225 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.684 -7.722 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.564 -9.266 9.776 1.00 0.00 H new ATOM 450 N ALA A 31 -8.175 -10.247 6.767 1.00 0.00 N ATOM 451 CA ALA A 31 -8.318 -11.506 6.045 1.00 0.00 C ATOM 452 C ALA A 31 -7.724 -11.405 4.644 1.00 0.00 C ATOM 453 O ALA A 31 -7.083 -12.340 4.163 1.00 0.00 O ATOM 454 CB ALA A 31 -9.783 -11.909 5.973 1.00 0.00 C ATOM 0 H ALA A 31 -9.056 -9.771 6.963 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.768 -12.274 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.875 -12.850 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.177 -12.031 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.348 -11.135 5.454 1.00 0.00 H new ATOM 460 N TYR A 32 -7.943 -10.268 3.995 1.00 0.00 N ATOM 461 CA TYR A 32 -7.432 -10.047 2.647 1.00 0.00 C ATOM 462 C TYR A 32 -6.537 -8.812 2.599 1.00 0.00 C ATOM 463 O TYR A 32 -6.254 -8.278 1.527 1.00 0.00 O ATOM 464 CB TYR A 32 -8.590 -9.890 1.660 1.00 0.00 C ATOM 465 CG TYR A 32 -9.801 -9.204 2.251 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.737 -9.918 2.988 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.009 -7.842 2.071 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.846 -9.296 3.529 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.114 -7.211 2.610 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.029 -7.943 3.338 1.00 0.00 C ATOM 471 OH TYR A 32 -13.132 -7.318 3.875 1.00 0.00 O ATOM 0 H TYR A 32 -8.471 -9.485 4.380 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.837 -10.915 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.246 -9.321 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.882 -10.875 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.596 -10.978 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.295 -7.267 1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.565 -9.866 4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.260 -6.151 2.462 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.243 -6.437 3.460 1.00 0.00 H new ATOM 481 N ALA A 33 -6.094 -8.364 3.770 1.00 0.00 N ATOM 482 CA ALA A 33 -5.229 -7.195 3.862 1.00 0.00 C ATOM 483 C ALA A 33 -3.902 -7.545 4.526 1.00 0.00 C ATOM 484 O ALA A 33 -3.018 -6.698 4.655 1.00 0.00 O ATOM 485 CB ALA A 33 -5.927 -6.082 4.629 1.00 0.00 C ATOM 0 H ALA A 33 -6.320 -8.793 4.667 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.019 -6.848 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.270 -5.215 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.846 -5.805 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.166 -6.428 5.635 1.00 0.00 H new ATOM 491 N TRP A 34 -3.769 -8.798 4.947 1.00 0.00 N ATOM 492 CA TRP A 34 -2.548 -9.260 5.599 1.00 0.00 C ATOM 493 C TRP A 34 -1.422 -9.431 4.586 1.00 0.00 C ATOM 494 O TRP A 34 -0.241 -9.272 4.897 1.00 0.00 O ATOM 495 CB TRP A 34 -2.802 -10.581 6.326 1.00 0.00 C ATOM 496 CG TRP A 34 -3.065 -11.729 5.398 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.262 -12.347 5.177 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.108 -12.395 4.567 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.107 -13.358 4.260 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.795 -13.408 3.870 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.738 -12.234 4.343 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.157 -14.254 2.966 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.106 -13.075 3.447 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.815 -14.073 2.767 1.00 0.00 C ATOM 0 H TRP A 34 -4.491 -9.512 4.849 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.246 -8.506 6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.939 -10.817 6.948 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.654 -10.461 6.995 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.194 -12.080 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.849 -13.972 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.183 -11.466 4.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.702 -15.025 2.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.953 -12.961 3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.292 -14.713 2.071 1.00 0.00 H new ATOM 515 N PRO A 35 -1.790 -9.763 3.340 1.00 0.00 N ATOM 516 CA PRO A 35 -0.734 -9.937 2.338 1.00 0.00 C ATOM 517 C PRO A 35 0.264 -8.784 2.343 1.00 0.00 C ATOM 518 O PRO A 35 1.430 -8.957 1.985 1.00 0.00 O ATOM 519 CB PRO A 35 -1.503 -9.973 1.015 1.00 0.00 C ATOM 520 CG PRO A 35 -2.863 -10.457 1.381 1.00 0.00 C ATOM 521 CD PRO A 35 -3.132 -9.995 2.780 1.00 0.00 C ATOM 0 HA PRO A 35 -0.138 -10.830 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.545 -8.986 0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.025 -10.640 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.611 -10.061 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.915 -11.544 1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.733 -9.086 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.679 -10.746 3.351 1.00 0.00 H new ATOM 529 N PHE A 36 -0.200 -7.607 2.750 1.00 0.00 N ATOM 530 CA PHE A 36 0.653 -6.425 2.801 1.00 0.00 C ATOM 531 C PHE A 36 0.884 -5.983 4.243 1.00 0.00 C ATOM 532 O PHE A 36 0.903 -4.788 4.542 1.00 0.00 O ATOM 533 CB PHE A 36 0.025 -5.283 2.000 1.00 0.00 C ATOM 534 CG PHE A 36 -0.515 -5.712 0.666 1.00 0.00 C ATOM 535 CD1 PHE A 36 0.293 -5.702 -0.460 1.00 0.00 C ATOM 536 CD2 PHE A 36 -1.831 -6.126 0.537 1.00 0.00 C ATOM 537 CE1 PHE A 36 -0.200 -6.097 -1.689 1.00 0.00 C ATOM 538 CE2 PHE A 36 -2.330 -6.522 -0.689 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.514 -6.507 -1.804 1.00 0.00 C ATOM 0 H PHE A 36 -1.162 -7.446 3.049 1.00 0.00 H new ATOM 0 HA PHE A 36 1.616 -6.683 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.782 -4.841 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.772 -4.504 1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.321 -5.381 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.474 -6.139 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.441 -6.085 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.357 -6.843 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.903 -6.815 -2.763 1.00 0.00 H new ATOM 549 N TYR A 37 1.058 -6.954 5.133 1.00 0.00 N ATOM 550 CA TYR A 37 1.285 -6.666 6.544 1.00 0.00 C ATOM 551 C TYR A 37 2.773 -6.716 6.878 1.00 0.00 C ATOM 552 O TYR A 37 3.303 -5.824 7.540 1.00 0.00 O ATOM 553 CB TYR A 37 0.521 -7.662 7.418 1.00 0.00 C ATOM 554 CG TYR A 37 -0.869 -7.198 7.791 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.593 -6.363 6.948 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.458 -7.595 8.985 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.863 -5.937 7.285 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.728 -7.174 9.329 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.427 -6.345 8.476 1.00 0.00 C ATOM 560 OH TYR A 37 -4.692 -5.923 8.815 1.00 0.00 O ATOM 0 H TYR A 37 1.046 -7.947 4.902 1.00 0.00 H new ATOM 0 HA TYR A 37 0.920 -5.659 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.448 -8.614 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.091 -7.845 8.329 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.155 -6.042 6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.914 -8.244 9.656 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.412 -5.288 6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.171 -7.492 10.261 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.941 -6.301 9.684 1.00 0.00 H new ATOM 570 N LYS A 38 3.442 -7.766 6.414 1.00 0.00 N ATOM 571 CA LYS A 38 4.869 -7.934 6.660 1.00 0.00 C ATOM 572 C LYS A 38 5.676 -7.652 5.396 1.00 0.00 C ATOM 573 O LYS A 38 5.204 -7.842 4.275 1.00 0.00 O ATOM 574 CB LYS A 38 5.158 -9.352 7.157 1.00 0.00 C ATOM 575 CG LYS A 38 4.297 -9.771 8.335 1.00 0.00 C ATOM 576 CD LYS A 38 4.918 -10.931 9.095 1.00 0.00 C ATOM 577 CE LYS A 38 6.119 -10.483 9.913 1.00 0.00 C ATOM 578 NZ LYS A 38 7.124 -11.572 10.066 1.00 0.00 N ATOM 0 H LYS A 38 3.018 -8.514 5.865 1.00 0.00 H new ATOM 0 HA LYS A 38 5.167 -7.219 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.004 -10.054 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.208 -9.421 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.163 -8.924 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.307 -10.056 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.173 -11.376 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.224 -11.706 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.586 -9.623 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.786 -10.155 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.927 -11.227 10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.686 -12.383 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.461 -11.867 9.128 1.00 0.00 H new ATOM 592 N PRO A 39 6.922 -7.191 5.579 1.00 0.00 N ATOM 593 CA PRO A 39 7.821 -6.875 4.465 1.00 0.00 C ATOM 594 C PRO A 39 8.287 -8.124 3.725 1.00 0.00 C ATOM 595 O PRO A 39 8.283 -9.224 4.279 1.00 0.00 O ATOM 596 CB PRO A 39 9.004 -6.185 5.148 1.00 0.00 C ATOM 597 CG PRO A 39 8.994 -6.709 6.543 1.00 0.00 C ATOM 598 CD PRO A 39 7.549 -6.941 6.888 1.00 0.00 C ATOM 0 HA PRO A 39 7.332 -6.262 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.942 -6.417 4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.893 -5.101 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.566 -7.634 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.450 -5.997 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.428 -7.790 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.110 -6.076 7.385 1.00 0.00 H new ATOM 606 N VAL A 40 8.690 -7.948 2.471 1.00 0.00 N ATOM 607 CA VAL A 40 9.161 -9.061 1.655 1.00 0.00 C ATOM 608 C VAL A 40 10.596 -8.835 1.193 1.00 0.00 C ATOM 609 O VAL A 40 10.848 -8.050 0.278 1.00 0.00 O ATOM 610 CB VAL A 40 8.264 -9.273 0.422 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.725 -10.485 -0.373 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.809 -9.422 0.841 1.00 0.00 C ATOM 0 H VAL A 40 8.700 -7.045 1.997 1.00 0.00 H new ATOM 0 HA VAL A 40 9.120 -9.952 2.282 1.00 0.00 H new ATOM 0 HB VAL A 40 8.346 -8.396 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.079 -10.618 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.752 -10.333 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.675 -11.373 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.189 -9.571 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.708 -10.281 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.486 -8.521 1.362 1.00 0.00 H new ATOM 622 N ASP A 41 11.534 -9.527 1.830 1.00 0.00 N ATOM 623 CA ASP A 41 12.945 -9.403 1.484 1.00 0.00 C ATOM 624 C ASP A 41 13.435 -10.648 0.750 1.00 0.00 C ATOM 625 O ASP A 41 13.884 -11.610 1.372 1.00 0.00 O ATOM 626 CB ASP A 41 13.783 -9.174 2.742 1.00 0.00 C ATOM 627 CG ASP A 41 15.134 -8.560 2.434 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.547 -8.596 1.257 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.779 -8.044 3.371 1.00 0.00 O ATOM 0 H ASP A 41 11.342 -10.180 2.590 1.00 0.00 H new ATOM 0 HA ASP A 41 13.058 -8.544 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.238 -8.522 3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.928 -10.124 3.256 1.00 0.00 H new ATOM 634 N ALA A 42 13.346 -10.621 -0.576 1.00 0.00 N ATOM 635 CA ALA A 42 13.781 -11.746 -1.394 1.00 0.00 C ATOM 636 C ALA A 42 14.986 -12.443 -0.771 1.00 0.00 C ATOM 637 O ALA A 42 15.066 -13.671 -0.761 1.00 0.00 O ATOM 638 CB ALA A 42 14.110 -11.277 -2.803 1.00 0.00 C ATOM 0 H ALA A 42 12.976 -9.832 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 42 12.964 -12.466 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.434 -12.127 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.224 -10.831 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.909 -10.536 -2.763 1.00 0.00 H new ATOM 644 N GLU A 43 15.921 -11.651 -0.255 1.00 0.00 N ATOM 645 CA GLU A 43 17.122 -12.194 0.368 1.00 0.00 C ATOM 646 C GLU A 43 16.767 -13.271 1.389 1.00 0.00 C ATOM 647 O GLU A 43 17.329 -14.366 1.373 1.00 0.00 O ATOM 648 CB GLU A 43 17.922 -11.079 1.044 1.00 0.00 C ATOM 649 CG GLU A 43 18.546 -10.098 0.066 1.00 0.00 C ATOM 650 CD GLU A 43 19.728 -9.356 0.658 1.00 0.00 C ATOM 651 OE1 GLU A 43 20.863 -9.865 0.549 1.00 0.00 O ATOM 652 OE2 GLU A 43 19.518 -8.266 1.229 1.00 0.00 O ATOM 0 H GLU A 43 15.870 -10.632 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 43 17.732 -12.646 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.267 -10.534 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.710 -11.525 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.869 -10.635 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.792 -9.378 -0.251 1.00 0.00 H new ATOM 659 N ALA A 44 15.830 -12.952 2.275 1.00 0.00 N ATOM 660 CA ALA A 44 15.398 -13.891 3.303 1.00 0.00 C ATOM 661 C ALA A 44 14.537 -14.999 2.706 1.00 0.00 C ATOM 662 O ALA A 44 14.583 -16.145 3.156 1.00 0.00 O ATOM 663 CB ALA A 44 14.637 -13.161 4.399 1.00 0.00 C ATOM 0 H ALA A 44 15.355 -12.050 2.302 1.00 0.00 H new ATOM 0 HA ALA A 44 16.286 -14.350 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.321 -13.875 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.284 -12.410 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.761 -12.674 3.971 1.00 0.00 H new ATOM 669 N LEU A 45 13.752 -14.651 1.692 1.00 0.00 N ATOM 670 CA LEU A 45 12.880 -15.617 1.034 1.00 0.00 C ATOM 671 C LEU A 45 13.618 -16.344 -0.086 1.00 0.00 C ATOM 672 O LEU A 45 14.818 -16.153 -0.276 1.00 0.00 O ATOM 673 CB LEU A 45 11.641 -14.916 0.473 1.00 0.00 C ATOM 674 CG LEU A 45 10.591 -14.487 1.498 1.00 0.00 C ATOM 675 CD1 LEU A 45 11.172 -13.465 2.463 1.00 0.00 C ATOM 676 CD2 LEU A 45 9.362 -13.924 0.799 1.00 0.00 C ATOM 0 H LEU A 45 13.702 -13.707 1.308 1.00 0.00 H new ATOM 0 HA LEU A 45 12.569 -16.353 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.966 -14.032 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.166 -15.582 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 45 10.290 -15.365 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.410 -13.172 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.021 -13.902 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.503 -12.587 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.625 -13.624 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.648 -13.058 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.932 -14.686 0.150 1.00 0.00 H new ATOM 688 N GLU A 46 12.890 -17.175 -0.825 1.00 0.00 N ATOM 689 CA GLU A 46 13.477 -17.928 -1.927 1.00 0.00 C ATOM 690 C GLU A 46 13.657 -17.042 -3.157 1.00 0.00 C ATOM 691 O GLU A 46 14.651 -17.154 -3.876 1.00 0.00 O ATOM 692 CB GLU A 46 12.599 -19.132 -2.277 1.00 0.00 C ATOM 693 CG GLU A 46 12.597 -20.214 -1.210 1.00 0.00 C ATOM 694 CD GLU A 46 11.733 -21.402 -1.586 1.00 0.00 C ATOM 695 OE1 GLU A 46 10.523 -21.378 -1.277 1.00 0.00 O ATOM 696 OE2 GLU A 46 12.267 -22.355 -2.190 1.00 0.00 O ATOM 0 H GLU A 46 11.894 -17.344 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 46 14.457 -18.282 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.576 -18.791 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.944 -19.562 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.619 -20.552 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.239 -19.792 -0.271 1.00 0.00 H new ATOM 703 N LEU A 47 12.690 -16.163 -3.392 1.00 0.00 N ATOM 704 CA LEU A 47 12.740 -15.257 -4.534 1.00 0.00 C ATOM 705 C LEU A 47 14.156 -14.734 -4.753 1.00 0.00 C ATOM 706 O LEU A 47 14.817 -14.289 -3.813 1.00 0.00 O ATOM 707 CB LEU A 47 11.778 -14.087 -4.325 1.00 0.00 C ATOM 708 CG LEU A 47 10.361 -14.453 -3.884 1.00 0.00 C ATOM 709 CD1 LEU A 47 9.952 -15.798 -4.466 1.00 0.00 C ATOM 710 CD2 LEU A 47 10.263 -14.474 -2.366 1.00 0.00 C ATOM 0 H LEU A 47 11.861 -16.058 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 47 12.437 -15.814 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.208 -13.418 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.713 -13.525 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 47 9.676 -13.694 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.941 -16.042 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.982 -15.748 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.640 -16.569 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.247 -14.736 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.959 -15.212 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.512 -13.489 -1.972 1.00 0.00 H new ATOM 722 N HIS A 48 14.616 -14.789 -5.998 1.00 0.00 N ATOM 723 CA HIS A 48 15.954 -14.318 -6.341 1.00 0.00 C ATOM 724 C HIS A 48 15.890 -12.963 -7.040 1.00 0.00 C ATOM 725 O HIS A 48 16.842 -12.184 -6.992 1.00 0.00 O ATOM 726 CB HIS A 48 16.661 -15.334 -7.237 1.00 0.00 C ATOM 727 CG HIS A 48 18.146 -15.149 -7.297 1.00 0.00 C ATOM 728 ND1 HIS A 48 18.847 -15.065 -8.481 1.00 0.00 N ATOM 729 CD2 HIS A 48 19.064 -15.029 -6.309 1.00 0.00 C ATOM 730 CE1 HIS A 48 20.132 -14.903 -8.220 1.00 0.00 C ATOM 731 NE2 HIS A 48 20.290 -14.878 -6.909 1.00 0.00 N ATOM 0 H HIS A 48 14.083 -15.155 -6.787 1.00 0.00 H new ATOM 0 HA HIS A 48 16.520 -14.204 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 48 16.443 -16.339 -6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 48 16.253 -15.263 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 48 18.869 -15.048 -5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 48 20.919 -14.807 -8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 48 21.179 -14.765 -6.421 1.00 0.00 H new ATOM 739 N ASP A 49 14.763 -12.690 -7.689 1.00 0.00 N ATOM 740 CA ASP A 49 14.575 -11.429 -8.397 1.00 0.00 C ATOM 741 C ASP A 49 13.214 -10.821 -8.073 1.00 0.00 C ATOM 742 O ASP A 49 12.354 -10.699 -8.945 1.00 0.00 O ATOM 743 CB ASP A 49 14.706 -11.643 -9.906 1.00 0.00 C ATOM 744 CG ASP A 49 16.149 -11.794 -10.347 1.00 0.00 C ATOM 745 OD1 ASP A 49 17.035 -11.219 -9.681 1.00 0.00 O ATOM 746 OD2 ASP A 49 16.391 -12.486 -11.358 1.00 0.00 O ATOM 0 H ASP A 49 13.966 -13.325 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 49 15.349 -10.736 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.146 -12.533 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.255 -10.800 -10.430 1.00 0.00 H new ATOM 751 N TYR A 50 13.026 -10.443 -6.814 1.00 0.00 N ATOM 752 CA TYR A 50 11.769 -9.851 -6.373 1.00 0.00 C ATOM 753 C TYR A 50 11.774 -8.340 -6.585 1.00 0.00 C ATOM 754 O TYR A 50 10.833 -7.777 -7.145 1.00 0.00 O ATOM 755 CB TYR A 50 11.520 -10.169 -4.898 1.00 0.00 C ATOM 756 CG TYR A 50 10.345 -9.424 -4.307 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.062 -9.953 -4.364 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.518 -8.189 -3.693 1.00 0.00 C ATOM 759 CE1 TYR A 50 7.985 -9.275 -3.827 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.447 -7.505 -3.151 1.00 0.00 C ATOM 761 CZ TYR A 50 8.182 -8.052 -3.221 1.00 0.00 C ATOM 762 OH TYR A 50 7.113 -7.372 -2.684 1.00 0.00 O ATOM 0 H TYR A 50 13.728 -10.536 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 50 10.966 -10.281 -6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.352 -11.240 -4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.417 -9.928 -4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.904 -10.911 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.506 -7.757 -3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.994 -9.700 -3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.599 -6.547 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 50 7.417 -6.831 -1.926 1.00 0.00 H new ATOM 772 N HIS A 51 12.842 -7.690 -6.134 1.00 0.00 N ATOM 773 CA HIS A 51 12.972 -6.244 -6.275 1.00 0.00 C ATOM 774 C HIS A 51 12.994 -5.841 -7.747 1.00 0.00 C ATOM 775 O HIS A 51 12.302 -4.908 -8.155 1.00 0.00 O ATOM 776 CB HIS A 51 14.244 -5.755 -5.582 1.00 0.00 C ATOM 777 CG HIS A 51 14.230 -5.950 -4.097 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.176 -5.562 -3.297 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.148 -6.499 -3.267 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.447 -5.861 -2.039 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.638 -6.431 -1.994 1.00 0.00 N ATOM 0 H HIS A 51 13.629 -8.141 -5.668 1.00 0.00 H new ATOM 0 HA HIS A 51 12.107 -5.779 -5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.102 -6.281 -6.001 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.382 -4.696 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.104 -6.913 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.804 -5.672 -1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.103 -6.766 -1.150 1.00 0.00 H new ATOM 789 N ASP A 52 13.793 -6.549 -8.537 1.00 0.00 N ATOM 790 CA ASP A 52 13.904 -6.266 -9.963 1.00 0.00 C ATOM 791 C ASP A 52 12.564 -5.812 -10.534 1.00 0.00 C ATOM 792 O ASP A 52 12.444 -4.703 -11.054 1.00 0.00 O ATOM 793 CB ASP A 52 14.399 -7.503 -10.713 1.00 0.00 C ATOM 794 CG ASP A 52 15.747 -7.984 -10.212 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.776 -7.430 -10.653 1.00 0.00 O ATOM 796 OD2 ASP A 52 15.773 -8.913 -9.378 1.00 0.00 O ATOM 0 H ASP A 52 14.373 -7.323 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 52 14.625 -5.459 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.668 -8.305 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.470 -7.275 -11.776 1.00 0.00 H new ATOM 801 N ILE A 53 11.561 -6.677 -10.432 1.00 0.00 N ATOM 802 CA ILE A 53 10.230 -6.365 -10.938 1.00 0.00 C ATOM 803 C ILE A 53 9.561 -5.285 -10.095 1.00 0.00 C ATOM 804 O ILE A 53 9.026 -4.311 -10.626 1.00 0.00 O ATOM 805 CB ILE A 53 9.329 -7.614 -10.962 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.862 -8.635 -11.969 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.896 -7.227 -11.298 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.488 -10.062 -11.637 1.00 0.00 C ATOM 0 H ILE A 53 11.644 -7.599 -10.004 1.00 0.00 H new ATOM 0 HA ILE A 53 10.358 -6.000 -11.957 1.00 0.00 H new ATOM 0 HB ILE A 53 9.338 -8.070 -9.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.481 -8.389 -12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.948 -8.554 -12.016 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.271 -8.120 -11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.521 -6.533 -10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.868 -6.750 -12.278 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.899 -10.731 -12.393 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.892 -10.326 -10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.402 -10.159 -11.618 1.00 0.00 H new ATOM 820 N ILE A 54 9.595 -5.463 -8.779 1.00 0.00 N ATOM 821 CA ILE A 54 8.995 -4.502 -7.862 1.00 0.00 C ATOM 822 C ILE A 54 9.974 -3.386 -7.516 1.00 0.00 C ATOM 823 O ILE A 54 10.758 -3.502 -6.574 1.00 0.00 O ATOM 824 CB ILE A 54 8.529 -5.182 -6.560 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.567 -6.330 -6.875 1.00 0.00 C ATOM 826 CG2 ILE A 54 7.867 -4.166 -5.640 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.378 -5.910 -7.710 1.00 0.00 C ATOM 0 H ILE A 54 10.032 -6.264 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 54 8.130 -4.078 -8.372 1.00 0.00 H new ATOM 0 HB ILE A 54 9.400 -5.593 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.111 -7.115 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.210 -6.761 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.543 -4.661 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.580 -3.379 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.003 -3.729 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.739 -6.774 -7.894 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.811 -5.147 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.726 -5.506 -8.661 1.00 0.00 H new ATOM 839 N LYS A 55 9.923 -2.303 -8.285 1.00 0.00 N ATOM 840 CA LYS A 55 10.803 -1.162 -8.060 1.00 0.00 C ATOM 841 C LYS A 55 10.923 -0.853 -6.571 1.00 0.00 C ATOM 842 O LYS A 55 12.020 -0.862 -6.011 1.00 0.00 O ATOM 843 CB LYS A 55 10.279 0.067 -8.806 1.00 0.00 C ATOM 844 CG LYS A 55 10.276 -0.094 -10.316 1.00 0.00 C ATOM 845 CD LYS A 55 11.614 0.295 -10.922 1.00 0.00 C ATOM 846 CE LYS A 55 11.765 -0.246 -12.335 1.00 0.00 C ATOM 847 NZ LYS A 55 11.120 0.642 -13.341 1.00 0.00 N ATOM 0 H LYS A 55 9.281 -2.192 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 55 11.792 -1.417 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.264 0.281 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.890 0.930 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.047 -1.128 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.487 0.523 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.706 1.381 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.422 -0.086 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.824 -0.354 -12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.323 -1.241 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.245 0.238 -14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.105 0.725 -13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.559 1.584 -13.305 1.00 0.00 H new ATOM 861 N HIS A 56 9.789 -0.582 -5.934 1.00 0.00 N ATOM 862 CA HIS A 56 9.767 -0.272 -4.508 1.00 0.00 C ATOM 863 C HIS A 56 8.526 -0.860 -3.843 1.00 0.00 C ATOM 864 O HIS A 56 7.413 -0.355 -3.995 1.00 0.00 O ATOM 865 CB HIS A 56 9.808 1.241 -4.293 1.00 0.00 C ATOM 866 CG HIS A 56 10.975 1.909 -4.952 1.00 0.00 C ATOM 867 ND1 HIS A 56 12.285 1.622 -4.633 1.00 0.00 N ATOM 868 CD2 HIS A 56 11.023 2.854 -5.920 1.00 0.00 C ATOM 869 CE1 HIS A 56 13.089 2.363 -5.375 1.00 0.00 C ATOM 870 NE2 HIS A 56 12.348 3.119 -6.165 1.00 0.00 N ATOM 0 H HIS A 56 8.873 -0.571 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 56 10.649 -0.720 -4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.886 1.679 -4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.839 1.447 -3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.177 3.314 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.168 2.352 -5.341 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.702 3.790 -6.846 1.00 0.00 H new ATOM 878 N PRO A 57 8.719 -1.952 -3.089 1.00 0.00 N ATOM 879 CA PRO A 57 7.627 -2.632 -2.387 1.00 0.00 C ATOM 880 C PRO A 57 7.082 -1.807 -1.226 1.00 0.00 C ATOM 881 O PRO A 57 7.841 -1.325 -0.385 1.00 0.00 O ATOM 882 CB PRO A 57 8.282 -3.915 -1.870 1.00 0.00 C ATOM 883 CG PRO A 57 9.730 -3.582 -1.756 1.00 0.00 C ATOM 884 CD PRO A 57 10.018 -2.607 -2.864 1.00 0.00 C ATOM 0 HA PRO A 57 6.771 -2.807 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.867 -4.211 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.120 -4.746 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.955 -3.145 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.345 -4.477 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.786 -1.888 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.374 -3.113 -3.762 1.00 0.00 H new ATOM 892 N MET A 58 5.763 -1.649 -1.185 1.00 0.00 N ATOM 893 CA MET A 58 5.118 -0.883 -0.125 1.00 0.00 C ATOM 894 C MET A 58 4.302 -1.795 0.785 1.00 0.00 C ATOM 895 O MET A 58 3.861 -2.867 0.370 1.00 0.00 O ATOM 896 CB MET A 58 4.216 0.198 -0.725 1.00 0.00 C ATOM 897 CG MET A 58 3.525 1.060 0.319 1.00 0.00 C ATOM 898 SD MET A 58 4.682 2.072 1.261 1.00 0.00 S ATOM 899 CE MET A 58 5.294 3.166 -0.019 1.00 0.00 C ATOM 0 H MET A 58 5.120 -2.041 -1.873 1.00 0.00 H new ATOM 0 HA MET A 58 5.897 -0.407 0.471 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.812 0.838 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.460 -0.277 -1.351 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.799 1.708 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.969 0.419 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.744 4.046 0.439 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.043 2.645 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.468 3.473 -0.661 1.00 0.00 H new ATOM 909 N ASP A 59 4.105 -1.363 2.025 1.00 0.00 N ATOM 910 CA ASP A 59 3.341 -2.141 2.994 1.00 0.00 C ATOM 911 C ASP A 59 2.629 -1.226 3.985 1.00 0.00 C ATOM 912 O ASP A 59 3.135 -0.159 4.335 1.00 0.00 O ATOM 913 CB ASP A 59 4.260 -3.108 3.742 1.00 0.00 C ATOM 914 CG ASP A 59 5.302 -3.735 2.837 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.279 -3.040 2.488 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.139 -4.919 2.476 1.00 0.00 O ATOM 0 H ASP A 59 4.464 -0.478 2.384 1.00 0.00 H new ATOM 0 HA ASP A 59 2.589 -2.714 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.759 -2.577 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.660 -3.895 4.199 1.00 0.00 H new ATOM 921 N LEU A 60 1.453 -1.650 4.434 1.00 0.00 N ATOM 922 CA LEU A 60 0.669 -0.868 5.385 1.00 0.00 C ATOM 923 C LEU A 60 1.574 -0.196 6.412 1.00 0.00 C ATOM 924 O LEU A 60 1.639 1.031 6.489 1.00 0.00 O ATOM 925 CB LEU A 60 -0.350 -1.762 6.093 1.00 0.00 C ATOM 926 CG LEU A 60 -1.655 -2.020 5.339 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.545 -0.787 5.376 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.368 -2.430 3.901 1.00 0.00 C ATOM 0 H LEU A 60 1.021 -2.531 4.155 1.00 0.00 H new ATOM 0 HA LEU A 60 0.139 -0.093 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.122 -2.722 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.593 -1.311 7.055 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.181 -2.838 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.469 -0.989 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.778 -0.537 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.026 0.050 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.308 -2.610 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.820 -1.633 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.770 -3.341 3.895 1.00 0.00 H new ATOM 940 N SER A 61 2.273 -1.008 7.199 1.00 0.00 N ATOM 941 CA SER A 61 3.173 -0.492 8.224 1.00 0.00 C ATOM 942 C SER A 61 3.888 0.764 7.736 1.00 0.00 C ATOM 943 O SER A 61 3.956 1.769 8.445 1.00 0.00 O ATOM 944 CB SER A 61 4.199 -1.558 8.614 1.00 0.00 C ATOM 945 OG SER A 61 5.014 -1.113 9.685 1.00 0.00 O ATOM 0 H SER A 61 2.233 -2.026 7.146 1.00 0.00 H new ATOM 0 HA SER A 61 2.578 -0.233 9.100 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.684 -2.475 8.901 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.823 -1.799 7.753 1.00 0.00 H new ATOM 0 HG SER A 61 5.660 -1.812 9.917 1.00 0.00 H new ATOM 951 N THR A 62 4.420 0.700 6.520 1.00 0.00 N ATOM 952 CA THR A 62 5.131 1.831 5.937 1.00 0.00 C ATOM 953 C THR A 62 4.250 3.074 5.897 1.00 0.00 C ATOM 954 O THR A 62 4.593 4.109 6.468 1.00 0.00 O ATOM 955 CB THR A 62 5.616 1.513 4.509 1.00 0.00 C ATOM 956 OG1 THR A 62 6.443 0.344 4.521 1.00 0.00 O ATOM 957 CG2 THR A 62 6.394 2.685 3.929 1.00 0.00 C ATOM 0 H THR A 62 4.372 -0.123 5.920 1.00 0.00 H new ATOM 0 HA THR A 62 5.995 2.023 6.573 1.00 0.00 H new ATOM 0 HB THR A 62 4.742 1.332 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.745 0.148 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.726 2.438 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.753 3.566 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.261 2.892 4.556 1.00 0.00 H new ATOM 965 N VAL A 63 3.111 2.964 5.220 1.00 0.00 N ATOM 966 CA VAL A 63 2.178 4.080 5.108 1.00 0.00 C ATOM 967 C VAL A 63 1.812 4.630 6.482 1.00 0.00 C ATOM 968 O VAL A 63 1.943 5.826 6.740 1.00 0.00 O ATOM 969 CB VAL A 63 0.890 3.663 4.373 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.085 4.828 4.302 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.216 3.144 2.981 1.00 0.00 C ATOM 0 H VAL A 63 2.812 2.114 4.741 1.00 0.00 H new ATOM 0 HA VAL A 63 2.681 4.857 4.532 1.00 0.00 H new ATOM 0 HB VAL A 63 0.416 2.858 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.989 4.515 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.342 5.149 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.376 5.656 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.295 2.854 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.713 3.927 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.874 2.279 3.060 1.00 0.00 H new ATOM 981 N LYS A 64 1.351 3.747 7.362 1.00 0.00 N ATOM 982 CA LYS A 64 0.966 4.142 8.712 1.00 0.00 C ATOM 983 C LYS A 64 2.041 5.016 9.351 1.00 0.00 C ATOM 984 O LYS A 64 1.735 5.998 10.027 1.00 0.00 O ATOM 985 CB LYS A 64 0.719 2.904 9.577 1.00 0.00 C ATOM 986 CG LYS A 64 0.612 3.211 11.061 1.00 0.00 C ATOM 987 CD LYS A 64 -0.193 2.150 11.792 1.00 0.00 C ATOM 988 CE LYS A 64 -1.680 2.469 11.778 1.00 0.00 C ATOM 989 NZ LYS A 64 -2.392 1.852 12.931 1.00 0.00 N ATOM 0 H LYS A 64 1.235 2.753 7.164 1.00 0.00 H new ATOM 0 HA LYS A 64 0.045 4.721 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.200 2.418 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.530 2.193 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.611 3.274 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.143 4.185 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.024 1.179 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.154 2.074 12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.819 3.550 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.119 2.111 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.403 2.093 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.281 0.819 12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.991 2.213 13.820 1.00 0.00 H new ATOM 1003 N ARG A 65 3.300 4.653 9.131 1.00 0.00 N ATOM 1004 CA ARG A 65 4.420 5.404 9.685 1.00 0.00 C ATOM 1005 C ARG A 65 4.474 6.812 9.098 1.00 0.00 C ATOM 1006 O ARG A 65 4.500 7.801 9.831 1.00 0.00 O ATOM 1007 CB ARG A 65 5.737 4.675 9.410 1.00 0.00 C ATOM 1008 CG ARG A 65 6.100 3.651 10.473 1.00 0.00 C ATOM 1009 CD ARG A 65 7.588 3.338 10.460 1.00 0.00 C ATOM 1010 NE ARG A 65 7.908 2.239 9.554 1.00 0.00 N ATOM 1011 CZ ARG A 65 9.147 1.911 9.205 1.00 0.00 C ATOM 1012 NH1 ARG A 65 10.177 2.596 9.684 1.00 0.00 N ATOM 1013 NH2 ARG A 65 9.358 0.897 8.375 1.00 0.00 N ATOM 0 H ARG A 65 3.570 3.843 8.573 1.00 0.00 H new ATOM 0 HA ARG A 65 4.274 5.483 10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.671 4.175 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.540 5.409 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.815 4.028 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.533 2.735 10.306 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.143 4.227 10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.914 3.083 11.468 1.00 0.00 H new ATOM 0 HE ARG A 65 7.138 1.693 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.018 3.376 10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.128 2.342 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.568 0.369 8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.310 0.646 8.108 1.00 0.00 H new ATOM 1027 N LYS A 66 4.490 6.894 7.772 1.00 0.00 N ATOM 1028 CA LYS A 66 4.540 8.180 7.086 1.00 0.00 C ATOM 1029 C LYS A 66 3.395 9.082 7.536 1.00 0.00 C ATOM 1030 O LYS A 66 3.554 10.298 7.640 1.00 0.00 O ATOM 1031 CB LYS A 66 4.476 7.975 5.571 1.00 0.00 C ATOM 1032 CG LYS A 66 5.533 7.022 5.041 1.00 0.00 C ATOM 1033 CD LYS A 66 5.349 6.753 3.557 1.00 0.00 C ATOM 1034 CE LYS A 66 5.761 7.953 2.718 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.236 8.006 2.513 1.00 0.00 N ATOM 0 H LYS A 66 4.469 6.085 7.151 1.00 0.00 H new ATOM 0 HA LYS A 66 5.482 8.664 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.490 7.594 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.589 8.940 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.523 7.443 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.485 6.082 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.941 5.885 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.306 6.509 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.261 7.909 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.429 8.869 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.477 8.838 1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.712 8.074 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.550 7.143 2.024 1.00 0.00 H new ATOM 1049 N MET A 67 2.242 8.477 7.804 1.00 0.00 N ATOM 1050 CA MET A 67 1.071 9.226 8.246 1.00 0.00 C ATOM 1051 C MET A 67 1.228 9.673 9.696 1.00 0.00 C ATOM 1052 O MET A 67 0.799 10.766 10.068 1.00 0.00 O ATOM 1053 CB MET A 67 -0.192 8.376 8.095 1.00 0.00 C ATOM 1054 CG MET A 67 -1.470 9.120 8.444 1.00 0.00 C ATOM 1055 SD MET A 67 -1.536 10.768 7.713 1.00 0.00 S ATOM 1056 CE MET A 67 -2.782 10.528 6.449 1.00 0.00 C ATOM 0 H MET A 67 2.094 7.471 7.723 1.00 0.00 H new ATOM 0 HA MET A 67 0.979 10.113 7.619 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.259 8.018 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.107 7.497 8.734 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.328 8.541 8.103 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.553 9.204 9.528 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.480 11.045 5.538 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.891 9.463 6.243 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.734 10.930 6.796 1.00 0.00 H new ATOM 1066 N ASP A 68 1.843 8.823 10.510 1.00 0.00 N ATOM 1067 CA ASP A 68 2.056 9.131 11.919 1.00 0.00 C ATOM 1068 C ASP A 68 3.048 10.279 12.080 1.00 0.00 C ATOM 1069 O ASP A 68 2.963 11.057 13.030 1.00 0.00 O ATOM 1070 CB ASP A 68 2.564 7.894 12.662 1.00 0.00 C ATOM 1071 CG ASP A 68 1.434 7.010 13.154 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.357 7.551 13.479 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.628 5.778 13.214 1.00 0.00 O ATOM 0 H ASP A 68 2.203 7.914 10.218 1.00 0.00 H new ATOM 0 HA ASP A 68 1.101 9.436 12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.212 7.317 12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.172 8.207 13.511 1.00 0.00 H new ATOM 1078 N GLY A 69 3.989 10.378 11.146 1.00 0.00 N ATOM 1079 CA GLY A 69 4.984 11.432 11.203 1.00 0.00 C ATOM 1080 C GLY A 69 4.603 12.635 10.363 1.00 0.00 C ATOM 1081 O GLY A 69 5.444 13.482 10.061 1.00 0.00 O ATOM 0 H GLY A 69 4.080 9.746 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.119 11.744 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.942 11.042 10.860 1.00 0.00 H new ATOM 1085 N ARG A 70 3.331 12.711 9.982 1.00 0.00 N ATOM 1086 CA ARG A 70 2.842 13.817 9.169 1.00 0.00 C ATOM 1087 C ARG A 70 3.745 14.044 7.960 1.00 0.00 C ATOM 1088 O ARG A 70 4.155 15.171 7.683 1.00 0.00 O ATOM 1089 CB ARG A 70 2.760 15.095 10.005 1.00 0.00 C ATOM 1090 CG ARG A 70 1.964 14.933 11.290 1.00 0.00 C ATOM 1091 CD ARG A 70 0.486 15.214 11.069 1.00 0.00 C ATOM 1092 NE ARG A 70 0.159 16.621 11.284 1.00 0.00 N ATOM 1093 CZ ARG A 70 0.225 17.219 12.468 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.606 16.536 13.538 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -0.089 18.503 12.583 1.00 0.00 N ATOM 0 H ARG A 70 2.621 12.019 10.224 1.00 0.00 H new ATOM 0 HA ARG A 70 1.845 13.560 8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.770 15.423 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.307 15.884 9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.090 13.920 11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.355 15.611 12.049 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.210 14.929 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.106 14.597 11.745 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.136 17.175 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.849 15.549 13.453 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.656 16.997 14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.382 19.032 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.038 18.961 13.493 1.00 0.00 H new ATOM 1109 N GLU A 71 4.050 12.966 7.245 1.00 0.00 N ATOM 1110 CA GLU A 71 4.905 13.049 6.067 1.00 0.00 C ATOM 1111 C GLU A 71 4.083 13.353 4.818 1.00 0.00 C ATOM 1112 O GLU A 71 4.523 14.092 3.936 1.00 0.00 O ATOM 1113 CB GLU A 71 5.676 11.741 5.876 1.00 0.00 C ATOM 1114 CG GLU A 71 6.459 11.311 7.106 1.00 0.00 C ATOM 1115 CD GLU A 71 7.668 10.463 6.762 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.659 11.023 6.248 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.622 9.239 7.006 1.00 0.00 O ATOM 0 H GLU A 71 3.718 12.026 7.461 1.00 0.00 H new ATOM 0 HA GLU A 71 5.614 13.862 6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.974 10.951 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.364 11.854 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.785 12.196 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.803 10.749 7.771 1.00 0.00 H new ATOM 1124 N TYR A 72 2.887 12.779 4.750 1.00 0.00 N ATOM 1125 CA TYR A 72 2.004 12.986 3.608 1.00 0.00 C ATOM 1126 C TYR A 72 1.541 14.438 3.534 1.00 0.00 C ATOM 1127 O TYR A 72 0.945 14.975 4.468 1.00 0.00 O ATOM 1128 CB TYR A 72 0.793 12.056 3.699 1.00 0.00 C ATOM 1129 CG TYR A 72 1.125 10.603 3.449 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.678 10.194 2.241 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.884 9.638 4.419 1.00 0.00 C ATOM 1132 CE1 TYR A 72 1.983 8.867 2.008 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.187 8.309 4.195 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.736 7.928 2.988 1.00 0.00 C ATOM 1135 OH TYR A 72 2.038 6.605 2.761 1.00 0.00 O ATOM 0 H TYR A 72 2.507 12.167 5.472 1.00 0.00 H new ATOM 0 HA TYR A 72 2.563 12.756 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.345 12.153 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.043 12.378 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.873 10.926 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.452 9.932 5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.412 8.566 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.995 7.572 4.961 1.00 0.00 H new ATOM 0 HH TYR A 72 2.664 6.537 2.010 1.00 0.00 H new ATOM 1145 N PRO A 73 1.820 15.089 2.395 1.00 0.00 N ATOM 1146 CA PRO A 73 1.440 16.487 2.169 1.00 0.00 C ATOM 1147 C PRO A 73 -0.067 16.661 2.014 1.00 0.00 C ATOM 1148 O PRO A 73 -0.659 17.570 2.595 1.00 0.00 O ATOM 1149 CB PRO A 73 2.156 16.843 0.864 1.00 0.00 C ATOM 1150 CG PRO A 73 2.332 15.541 0.161 1.00 0.00 C ATOM 1151 CD PRO A 73 2.527 14.511 1.240 1.00 0.00 C ATOM 0 HA PRO A 73 1.714 17.124 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.567 17.539 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.116 17.322 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.460 15.306 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.191 15.572 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.109 13.546 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.583 14.349 1.455 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.681 15.783 1.228 1.00 0.00 N ATOM 1160 CA ASP A 74 -2.120 15.839 0.998 1.00 0.00 C ATOM 1161 C ASP A 74 -2.670 14.457 0.660 1.00 0.00 C ATOM 1162 O ASP A 74 -1.912 13.517 0.426 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.440 16.819 -0.131 1.00 0.00 C ATOM 1164 CG ASP A 74 -2.222 18.263 0.276 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -1.060 18.720 0.246 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -3.214 18.937 0.625 1.00 0.00 O ATOM 0 H ASP A 74 -0.205 15.025 0.740 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.596 16.186 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.816 16.590 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.476 16.685 -0.442 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.994 14.342 0.638 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.646 13.075 0.328 1.00 0.00 C ATOM 1173 C ALA A 75 -4.003 12.410 -0.885 1.00 0.00 C ATOM 1174 O ALA A 75 -3.837 11.191 -0.919 1.00 0.00 O ATOM 1175 CB ALA A 75 -6.132 13.292 0.088 1.00 0.00 C ATOM 0 H ALA A 75 -4.636 15.111 0.831 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.521 12.410 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.606 12.338 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.587 13.717 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.269 13.977 -0.749 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.645 13.219 -1.877 1.00 0.00 N ATOM 1182 CA GLN A 76 -3.023 12.706 -3.092 1.00 0.00 C ATOM 1183 C GLN A 76 -1.787 11.875 -2.762 1.00 0.00 C ATOM 1184 O GLN A 76 -1.646 10.744 -3.225 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.642 13.861 -4.021 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.835 14.519 -4.695 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.850 15.046 -3.699 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.640 16.084 -3.072 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.959 14.331 -3.549 1.00 0.00 N ATOM 0 H GLN A 76 -3.775 14.231 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.745 12.065 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.099 14.613 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.961 13.490 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.486 15.340 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.319 13.798 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.092 13.476 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.678 14.637 -2.893 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.895 12.444 -1.957 1.00 0.00 N ATOM 1199 CA GLY A 77 0.318 11.741 -1.579 1.00 0.00 C ATOM 1200 C GLY A 77 0.032 10.420 -0.893 1.00 0.00 C ATOM 1201 O GLY A 77 0.614 9.393 -1.240 1.00 0.00 O ATOM 0 H GLY A 77 -0.990 13.379 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.923 11.562 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.908 12.372 -0.914 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.867 10.447 0.086 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.227 9.242 0.826 1.00 0.00 C ATOM 1207 C PHE A 78 -1.705 8.145 -0.121 1.00 0.00 C ATOM 1208 O PHE A 78 -1.170 7.037 -0.125 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.316 9.556 1.853 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.112 8.352 2.270 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.631 7.490 3.242 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.341 8.082 1.689 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.361 6.381 3.627 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.075 6.975 2.070 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.585 6.124 3.041 1.00 0.00 C ATOM 0 H PHE A 78 -1.359 11.289 0.385 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.338 8.886 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.855 10.000 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.992 10.302 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.675 7.687 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.729 8.744 0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.975 5.716 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.031 6.775 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.158 5.259 3.342 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.717 8.463 -0.922 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.267 7.506 -1.874 1.00 0.00 C ATOM 1227 C ALA A 79 -2.197 7.024 -2.848 1.00 0.00 C ATOM 1228 O ALA A 79 -2.145 5.843 -3.192 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.432 8.126 -2.632 1.00 0.00 C ATOM 0 H ALA A 79 -3.172 9.376 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.629 6.643 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.833 7.400 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.212 8.415 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.087 9.007 -3.173 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.346 7.944 -3.288 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.276 7.611 -4.221 1.00 0.00 C ATOM 1237 C ALA A 80 0.440 6.332 -3.802 1.00 0.00 C ATOM 1238 O ALA A 80 0.677 5.444 -4.621 1.00 0.00 O ATOM 1239 CB ALA A 80 0.712 8.763 -4.323 1.00 0.00 C ATOM 0 H ALA A 80 -1.376 8.926 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.722 7.441 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.506 8.501 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.196 9.655 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.144 8.960 -3.342 1.00 0.00 H new ATOM 1245 N ASP A 81 0.783 6.245 -2.521 1.00 0.00 N ATOM 1246 CA ASP A 81 1.473 5.074 -1.993 1.00 0.00 C ATOM 1247 C ASP A 81 0.561 3.851 -2.012 1.00 0.00 C ATOM 1248 O ASP A 81 0.830 2.874 -2.710 1.00 0.00 O ATOM 1249 CB ASP A 81 1.958 5.341 -0.567 1.00 0.00 C ATOM 1250 CG ASP A 81 3.147 6.281 -0.526 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.304 7.079 -1.473 1.00 0.00 O ATOM 1252 OD2 ASP A 81 3.921 6.217 0.452 1.00 0.00 O ATOM 0 H ASP A 81 0.594 6.971 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 81 2.334 4.873 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.142 5.766 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.229 4.396 -0.096 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.519 3.913 -1.239 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.472 2.811 -1.168 1.00 0.00 C ATOM 1259 C VAL A 82 -1.624 2.128 -2.522 1.00 0.00 C ATOM 1260 O VAL A 82 -1.535 0.904 -2.624 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.854 3.294 -0.690 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.852 2.147 -0.695 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.751 3.917 0.694 1.00 0.00 C ATOM 0 H VAL A 82 -0.756 4.714 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.076 2.096 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.212 4.057 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.823 2.508 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.947 1.751 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.503 1.358 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.737 4.253 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.371 3.177 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.071 4.768 0.660 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.855 2.926 -3.559 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.021 2.398 -4.908 1.00 0.00 C ATOM 1275 C ARG A 83 -0.822 1.542 -5.307 1.00 0.00 C ATOM 1276 O ARG A 83 -0.978 0.397 -5.733 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.201 3.541 -5.907 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.494 4.317 -5.719 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.466 5.638 -6.472 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.959 5.499 -7.839 1.00 0.00 N ATOM 1281 CZ ARG A 83 -4.031 6.508 -8.701 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -3.644 7.723 -8.338 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -4.491 6.302 -9.928 1.00 0.00 N ATOM 0 H ARG A 83 -1.932 3.941 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.913 1.772 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.359 4.227 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.174 3.136 -6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.334 3.716 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.655 4.505 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.073 6.371 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.446 6.022 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.265 4.577 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.290 7.885 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.700 8.496 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.790 5.369 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.546 7.077 -10.589 1.00 0.00 H new ATOM 1297 N LEU A 84 0.373 2.106 -5.169 1.00 0.00 N ATOM 1298 CA LEU A 84 1.599 1.395 -5.516 1.00 0.00 C ATOM 1299 C LEU A 84 1.617 0.004 -4.891 1.00 0.00 C ATOM 1300 O LEU A 84 1.840 -0.993 -5.577 1.00 0.00 O ATOM 1301 CB LEU A 84 2.821 2.191 -5.054 1.00 0.00 C ATOM 1302 CG LEU A 84 4.143 1.424 -5.011 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.806 1.425 -6.380 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.073 2.023 -3.966 1.00 0.00 C ATOM 0 H LEU A 84 0.519 3.053 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 84 1.633 1.286 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.943 3.049 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.619 2.583 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 84 3.933 0.391 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.745 0.875 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.145 0.949 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.003 2.452 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.009 1.465 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.276 3.065 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.601 1.969 -2.985 1.00 0.00 H new ATOM 1316 N MET A 85 1.381 -0.055 -3.584 1.00 0.00 N ATOM 1317 CA MET A 85 1.367 -1.325 -2.867 1.00 0.00 C ATOM 1318 C MET A 85 0.559 -2.371 -3.629 1.00 0.00 C ATOM 1319 O MET A 85 0.952 -3.535 -3.710 1.00 0.00 O ATOM 1320 CB MET A 85 0.786 -1.137 -1.465 1.00 0.00 C ATOM 1321 CG MET A 85 0.772 -2.412 -0.636 1.00 0.00 C ATOM 1322 SD MET A 85 -0.031 -2.192 0.963 1.00 0.00 S ATOM 1323 CE MET A 85 -1.729 -1.934 0.457 1.00 0.00 C ATOM 0 H MET A 85 1.197 0.761 -3.000 1.00 0.00 H new ATOM 0 HA MET A 85 2.395 -1.677 -2.782 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.366 -0.378 -0.939 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.232 -0.758 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.258 -3.196 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.796 -2.751 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.004 -0.892 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.833 -2.172 -0.602 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.385 -2.580 1.041 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.571 -1.949 -4.186 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.435 -2.850 -4.940 1.00 0.00 C ATOM 1335 C PHE A 86 -0.776 -3.263 -6.253 1.00 0.00 C ATOM 1336 O PHE A 86 -0.417 -4.425 -6.441 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.783 -2.182 -5.221 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.681 -2.116 -4.019 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.160 -3.276 -3.431 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.048 -0.894 -3.478 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.987 -3.218 -2.325 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.874 -0.831 -2.372 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.345 -1.994 -1.795 1.00 0.00 C ATOM 0 H PHE A 86 -0.910 -0.989 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.599 -3.744 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.609 -1.171 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.292 -2.728 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.884 -4.236 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.684 0.019 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.353 -4.129 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.151 0.128 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.992 -1.946 -0.931 1.00 0.00 H new ATOM 1353 N SER A 87 -0.620 -2.302 -7.158 1.00 0.00 N ATOM 1354 CA SER A 87 -0.009 -2.566 -8.455 1.00 0.00 C ATOM 1355 C SER A 87 1.131 -3.571 -8.324 1.00 0.00 C ATOM 1356 O SER A 87 1.261 -4.488 -9.134 1.00 0.00 O ATOM 1357 CB SER A 87 0.511 -1.266 -9.071 1.00 0.00 C ATOM 1358 OG SER A 87 0.524 -1.341 -10.486 1.00 0.00 O ATOM 0 H SER A 87 -0.908 -1.334 -7.017 1.00 0.00 H new ATOM 0 HA SER A 87 -0.771 -2.990 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.117 -0.433 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.518 -1.064 -8.705 1.00 0.00 H new ATOM 0 HG SER A 87 0.859 -0.497 -10.855 1.00 0.00 H new ATOM 1364 N ASN A 88 1.955 -3.392 -7.297 1.00 0.00 N ATOM 1365 CA ASN A 88 3.085 -4.282 -7.058 1.00 0.00 C ATOM 1366 C ASN A 88 2.623 -5.732 -6.956 1.00 0.00 C ATOM 1367 O ASN A 88 3.239 -6.632 -7.529 1.00 0.00 O ATOM 1368 CB ASN A 88 3.819 -3.878 -5.778 1.00 0.00 C ATOM 1369 CG ASN A 88 4.723 -2.678 -5.984 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.293 -2.494 -7.059 1.00 0.00 O ATOM 1371 ND2 ASN A 88 4.859 -1.855 -4.951 1.00 0.00 N ATOM 0 H ASN A 88 1.861 -2.638 -6.616 1.00 0.00 H new ATOM 0 HA ASN A 88 3.768 -4.195 -7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.090 -3.651 -5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.413 -4.720 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.455 -1.031 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.367 -2.047 -4.078 1.00 0.00 H new ATOM 1378 N CYS A 89 1.536 -5.951 -6.225 1.00 0.00 N ATOM 1379 CA CYS A 89 0.991 -7.292 -6.047 1.00 0.00 C ATOM 1380 C CYS A 89 0.792 -7.981 -7.394 1.00 0.00 C ATOM 1381 O CYS A 89 1.441 -8.984 -7.691 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.337 -7.229 -5.292 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.291 -8.764 -5.347 1.00 0.00 S ATOM 0 H CYS A 89 1.014 -5.217 -5.746 1.00 0.00 H new ATOM 0 HA CYS A 89 1.705 -7.873 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.139 -6.974 -4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.941 -6.423 -5.708 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.139 -8.713 -6.331 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.109 -7.436 -8.203 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.397 -8.001 -9.517 1.00 0.00 C ATOM 1391 C TYR A 90 0.845 -7.976 -10.404 1.00 0.00 C ATOM 1392 O TYR A 90 0.990 -8.794 -11.312 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.533 -7.228 -10.189 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.643 -6.836 -9.240 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.145 -7.742 -8.315 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.188 -5.558 -9.269 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.160 -7.387 -7.447 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.201 -5.194 -8.404 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.684 -6.112 -7.495 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.694 -5.755 -6.631 1.00 0.00 O ATOM 0 H TYR A 90 -0.653 -6.604 -7.973 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.703 -9.038 -9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.126 -6.328 -10.650 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.950 -7.836 -10.991 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.735 -8.740 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.813 -4.837 -9.980 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.541 -8.104 -6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.613 -4.196 -8.439 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.950 -4.823 -6.794 1.00 0.00 H new ATOM 1410 N LYS A 91 1.739 -7.032 -10.132 1.00 0.00 N ATOM 1411 CA LYS A 91 2.970 -6.899 -10.902 1.00 0.00 C ATOM 1412 C LYS A 91 3.864 -8.121 -10.714 1.00 0.00 C ATOM 1413 O LYS A 91 4.431 -8.641 -11.675 1.00 0.00 O ATOM 1414 CB LYS A 91 3.723 -5.634 -10.485 1.00 0.00 C ATOM 1415 CG LYS A 91 4.995 -5.393 -11.280 1.00 0.00 C ATOM 1416 CD LYS A 91 5.565 -4.010 -11.013 1.00 0.00 C ATOM 1417 CE LYS A 91 6.380 -3.506 -12.195 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.641 -2.043 -12.104 1.00 0.00 N ATOM 0 H LYS A 91 1.634 -6.347 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 91 2.703 -6.824 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.064 -4.774 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.974 -5.703 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.736 -6.149 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.786 -5.502 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.752 -3.314 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.193 -4.040 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.328 -4.042 -12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.849 -3.723 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.199 -1.738 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.737 -1.529 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.170 -1.838 -11.232 1.00 0.00 H new ATOM 1432 N TYR A 92 3.983 -8.575 -9.472 1.00 0.00 N ATOM 1433 CA TYR A 92 4.809 -9.735 -9.158 1.00 0.00 C ATOM 1434 C TYR A 92 3.980 -11.015 -9.180 1.00 0.00 C ATOM 1435 O TYR A 92 4.202 -11.898 -10.008 1.00 0.00 O ATOM 1436 CB TYR A 92 5.467 -9.564 -7.788 1.00 0.00 C ATOM 1437 CG TYR A 92 6.651 -10.477 -7.566 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.858 -10.251 -8.217 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.564 -11.566 -6.708 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.943 -11.083 -8.018 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.644 -12.402 -6.502 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.831 -12.157 -7.159 1.00 0.00 C ATOM 1443 OH TYR A 92 9.909 -12.988 -6.958 1.00 0.00 O ATOM 0 H TYR A 92 3.518 -8.158 -8.666 1.00 0.00 H new ATOM 0 HA TYR A 92 5.586 -9.813 -9.919 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.791 -8.529 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.725 -9.751 -7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.949 -9.411 -8.890 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.635 -11.762 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.874 -10.894 -8.532 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.559 -13.243 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 92 10.739 -12.479 -7.068 1.00 0.00 H new ATOM 1453 N ASN A 93 3.022 -11.108 -8.263 1.00 0.00 N ATOM 1454 CA ASN A 93 2.158 -12.280 -8.176 1.00 0.00 C ATOM 1455 C ASN A 93 1.390 -12.488 -9.478 1.00 0.00 C ATOM 1456 O ASN A 93 0.933 -11.539 -10.116 1.00 0.00 O ATOM 1457 CB ASN A 93 1.178 -12.132 -7.011 1.00 0.00 C ATOM 1458 CG ASN A 93 1.884 -11.953 -5.681 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.027 -12.377 -5.510 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.204 -11.322 -4.731 1.00 0.00 N ATOM 0 H ASN A 93 2.825 -10.386 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 93 2.788 -13.152 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.529 -11.276 -7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.538 -13.013 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.627 -11.172 -3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.259 -10.987 -4.917 1.00 0.00 H new ATOM 1467 N PRO A 94 1.244 -13.758 -9.883 1.00 0.00 N ATOM 1468 CA PRO A 94 0.531 -14.120 -11.111 1.00 0.00 C ATOM 1469 C PRO A 94 -0.971 -13.879 -11.002 1.00 0.00 C ATOM 1470 O PRO A 94 -1.510 -13.649 -9.920 1.00 0.00 O ATOM 1471 CB PRO A 94 0.823 -15.615 -11.263 1.00 0.00 C ATOM 1472 CG PRO A 94 1.102 -16.089 -9.879 1.00 0.00 C ATOM 1473 CD PRO A 94 1.763 -14.939 -9.172 1.00 0.00 C ATOM 0 HA PRO A 94 0.854 -13.520 -11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.026 -16.142 -11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.676 -15.787 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.181 -16.380 -9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.751 -16.965 -9.890 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.505 -14.916 -8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.850 -15.000 -9.234 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.665 -13.934 -12.149 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.115 -13.725 -12.208 1.00 0.00 C ATOM 1483 C PRO A 95 -3.892 -14.871 -11.569 1.00 0.00 C ATOM 1484 O PRO A 95 -5.113 -14.805 -11.432 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.402 -13.655 -13.710 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.296 -14.426 -14.343 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.087 -14.204 -13.476 1.00 0.00 C ATOM 0 HA PRO A 95 -3.422 -12.834 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.373 -14.088 -13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.418 -12.624 -14.062 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.544 -15.486 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.114 -14.083 -15.361 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.437 -15.079 -13.461 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.486 -13.367 -13.831 1.00 0.00 H new ATOM 1495 N ASP A 96 -3.176 -15.920 -11.179 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.799 -17.080 -10.553 1.00 0.00 C ATOM 1497 C ASP A 96 -3.669 -17.014 -9.035 1.00 0.00 C ATOM 1498 O ASP A 96 -4.578 -17.411 -8.305 1.00 0.00 O ATOM 1499 CB ASP A 96 -3.164 -18.370 -11.075 1.00 0.00 C ATOM 1500 CG ASP A 96 -1.684 -18.213 -11.361 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -0.898 -18.130 -10.394 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.310 -18.171 -12.553 1.00 0.00 O ATOM 0 H ASP A 96 -2.164 -15.991 -11.285 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.858 -17.075 -10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.307 -19.164 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.676 -18.681 -11.986 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.533 -16.509 -8.564 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.284 -16.391 -7.132 1.00 0.00 C ATOM 1509 C HIS A 97 -3.568 -16.044 -6.384 1.00 0.00 C ATOM 1510 O HIS A 97 -4.256 -15.084 -6.728 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.220 -15.325 -6.864 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.477 -15.530 -5.580 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -1.007 -16.211 -4.504 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.763 -15.141 -5.203 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.126 -16.230 -3.521 1.00 0.00 C ATOM 1516 NE2 HIS A 97 0.958 -15.588 -3.919 1.00 0.00 N ATOM 0 H HIS A 97 -1.770 -16.175 -9.153 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.923 -17.354 -6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.508 -15.319 -7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.696 -14.345 -6.846 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.468 -14.583 -5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.267 -16.692 -2.555 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.802 -15.447 -3.363 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.883 -16.833 -5.362 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.085 -16.609 -4.568 1.00 0.00 C ATOM 1526 C GLU A 98 -5.019 -15.265 -3.848 1.00 0.00 C ATOM 1527 O GLU A 98 -6.020 -14.557 -3.738 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.268 -17.737 -3.550 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.493 -17.524 -2.260 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.497 -18.751 -1.368 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -4.259 -19.862 -1.887 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -4.738 -18.600 -0.153 1.00 0.00 O ATOM 0 H GLU A 98 -3.323 -17.632 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.940 -16.598 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.328 -17.835 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.953 -18.678 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.464 -17.256 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.923 -16.683 -1.717 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.832 -14.920 -3.358 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.634 -13.662 -2.649 1.00 0.00 C ATOM 1541 C VAL A 99 -4.167 -12.485 -3.459 1.00 0.00 C ATOM 1542 O VAL A 99 -4.690 -11.520 -2.902 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.146 -13.423 -2.335 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.441 -12.798 -3.529 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.996 -12.548 -1.099 1.00 0.00 C ATOM 0 H VAL A 99 -2.993 -15.495 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.188 -13.736 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.677 -14.386 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.390 -12.637 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.518 -13.466 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.909 -11.843 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.938 -12.389 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.480 -11.587 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.463 -13.040 -0.246 1.00 0.00 H new ATOM 1555 N VAL A 100 -4.031 -12.572 -4.778 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.499 -11.515 -5.666 1.00 0.00 C ATOM 1557 C VAL A 100 -5.973 -11.207 -5.424 1.00 0.00 C ATOM 1558 O VAL A 100 -6.350 -10.055 -5.211 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.302 -11.896 -7.146 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -5.131 -10.992 -8.045 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.829 -11.829 -7.521 1.00 0.00 C ATOM 0 H VAL A 100 -3.600 -13.364 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.904 -10.629 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.644 -12.921 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.979 -11.276 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.186 -11.095 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.823 -9.956 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.708 -12.101 -8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.459 -10.816 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.263 -12.522 -6.899 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.802 -12.245 -5.458 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.234 -12.086 -5.240 1.00 0.00 C ATOM 1573 C ALA A 101 -8.513 -11.370 -3.923 1.00 0.00 C ATOM 1574 O ALA A 101 -9.548 -10.723 -3.764 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.925 -13.441 -5.263 1.00 0.00 C ATOM 0 H ALA A 101 -6.506 -13.205 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.633 -11.473 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.994 -13.307 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.763 -13.916 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.513 -14.073 -4.476 1.00 0.00 H new ATOM 1581 N MET A 102 -7.583 -11.490 -2.981 1.00 0.00 N ATOM 1582 CA MET A 102 -7.729 -10.853 -1.678 1.00 0.00 C ATOM 1583 C MET A 102 -7.384 -9.369 -1.756 1.00 0.00 C ATOM 1584 O MET A 102 -8.113 -8.525 -1.236 1.00 0.00 O ATOM 1585 CB MET A 102 -6.834 -11.543 -0.646 1.00 0.00 C ATOM 1586 CG MET A 102 -7.217 -12.990 -0.380 1.00 0.00 C ATOM 1587 SD MET A 102 -6.747 -13.540 1.272 1.00 0.00 S ATOM 1588 CE MET A 102 -5.004 -13.129 1.282 1.00 0.00 C ATOM 0 H MET A 102 -6.721 -12.022 -3.096 1.00 0.00 H new ATOM 0 HA MET A 102 -8.770 -10.950 -1.369 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.801 -11.507 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.877 -10.986 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.294 -13.106 -0.505 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.740 -13.630 -1.122 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.427 -13.999 1.596 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.695 -12.831 0.280 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.828 -12.307 1.976 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.269 -9.059 -2.408 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.830 -7.677 -2.556 1.00 0.00 C ATOM 1600 C ALA A 103 -6.920 -6.818 -3.187 1.00 0.00 C ATOM 1601 O ALA A 103 -7.097 -5.656 -2.822 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.558 -7.614 -3.388 1.00 0.00 C ATOM 0 H ALA A 103 -5.653 -9.746 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.622 -7.280 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.241 -6.576 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.772 -8.186 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.748 -8.035 -4.375 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.648 -7.398 -4.136 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.721 -6.684 -4.818 1.00 0.00 C ATOM 1610 C ARG A 104 -9.765 -6.188 -3.822 1.00 0.00 C ATOM 1611 O ARG A 104 -10.169 -5.026 -3.856 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.383 -7.589 -5.859 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.585 -7.723 -7.146 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.121 -8.846 -8.020 1.00 0.00 C ATOM 1615 NE ARG A 104 -8.320 -9.031 -9.226 1.00 0.00 N ATOM 1616 CZ ARG A 104 -8.385 -8.227 -10.282 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -9.210 -7.189 -10.279 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -7.624 -8.461 -11.343 1.00 0.00 N ATOM 0 H ARG A 104 -7.514 -8.359 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.286 -5.820 -5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.529 -8.579 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.372 -7.195 -6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.621 -6.783 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.538 -7.914 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.136 -9.774 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.152 -8.627 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.675 -9.821 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.797 -7.006 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.258 -6.573 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.988 -9.259 -11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.675 -7.843 -12.153 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.198 -7.078 -2.935 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.194 -6.733 -1.928 1.00 0.00 C ATOM 1634 C LYS A 105 -10.851 -5.407 -1.255 1.00 0.00 C ATOM 1635 O LYS A 105 -11.724 -4.568 -1.033 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.292 -7.840 -0.877 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.187 -8.995 -1.291 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.762 -10.295 -0.630 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.913 -11.288 -0.561 1.00 0.00 C ATOM 1640 NZ LYS A 105 -13.273 -11.813 -1.908 1.00 0.00 N ATOM 0 H LYS A 105 -9.874 -8.044 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.157 -6.629 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.292 -8.222 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.669 -7.414 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.219 -8.770 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.156 -9.110 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.934 -10.734 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.396 -10.090 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.639 -12.117 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.783 -10.806 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.061 -12.486 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.559 -11.024 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.451 -12.295 -2.324 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.574 -5.225 -0.935 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.115 -4.000 -0.289 1.00 0.00 C ATOM 1656 C LEU A 106 -9.227 -2.810 -1.236 1.00 0.00 C ATOM 1657 O LEU A 106 -9.860 -1.806 -0.913 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.668 -4.159 0.180 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.173 -3.126 1.192 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.949 -3.240 2.495 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.681 -3.296 1.442 1.00 0.00 C ATOM 0 H LEU A 106 -8.839 -5.910 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.752 -3.814 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.556 -5.150 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.018 -4.122 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.341 -2.132 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.582 -2.497 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.008 -3.068 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.813 -4.237 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.346 -2.552 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.489 -4.295 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.138 -3.163 0.506 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.610 -2.932 -2.407 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.642 -1.866 -3.401 1.00 0.00 C ATOM 1675 C GLN A 107 -10.072 -1.397 -3.651 1.00 0.00 C ATOM 1676 O GLN A 107 -10.305 -0.238 -3.993 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.013 -2.343 -4.711 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.092 -1.319 -5.832 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.212 -1.678 -7.013 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -5.994 -1.499 -6.971 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -7.824 -2.187 -8.076 1.00 0.00 N ATOM 0 H GLN A 107 -8.082 -3.758 -2.690 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.066 -1.025 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.967 -2.594 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.510 -3.259 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.126 -1.232 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.798 -0.342 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.835 -2.318 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.283 -2.447 -8.901 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.025 -2.306 -3.478 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.433 -1.986 -3.684 1.00 0.00 C ATOM 1692 C ASP A 108 -12.928 -1.006 -2.625 1.00 0.00 C ATOM 1693 O ASP A 108 -13.403 0.084 -2.945 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.278 -3.260 -3.653 1.00 0.00 C ATOM 1695 CG ASP A 108 -13.482 -3.854 -5.033 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -12.611 -4.630 -5.479 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -14.511 -3.542 -5.667 1.00 0.00 O ATOM 0 H ASP A 108 -10.848 -3.270 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.534 -1.517 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.795 -3.997 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.249 -3.038 -3.209 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.815 -1.402 -1.361 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.251 -0.559 -0.254 1.00 0.00 C ATOM 1704 C VAL A 109 -12.378 0.685 -0.133 1.00 0.00 C ATOM 1705 O VAL A 109 -12.820 1.721 0.363 1.00 0.00 O ATOM 1706 CB VAL A 109 -13.219 -1.326 1.082 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -11.833 -1.897 1.337 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.651 -0.422 2.226 1.00 0.00 C ATOM 0 H VAL A 109 -12.425 -2.301 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.277 -0.260 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.922 -2.157 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.830 -2.435 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.567 -2.581 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.107 -1.085 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.622 -0.980 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.975 0.430 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.666 -0.067 2.046 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.135 0.575 -0.591 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.199 1.692 -0.534 1.00 0.00 C ATOM 1720 C PHE A 110 -10.547 2.747 -1.579 1.00 0.00 C ATOM 1721 O PHE A 110 -10.950 3.860 -1.242 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.767 1.196 -0.751 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.802 2.289 -1.110 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.305 3.140 -0.135 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.391 2.467 -2.421 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.417 4.147 -0.462 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.503 3.472 -2.754 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.015 4.313 -1.773 1.00 0.00 C ATOM 0 H PHE A 110 -10.753 -0.275 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.274 2.146 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.421 0.701 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.766 0.447 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.615 3.015 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.769 1.812 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.038 4.804 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.191 3.600 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.320 5.099 -2.031 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.387 2.389 -2.850 1.00 0.00 N ATOM 1739 CA GLU A 111 -10.684 3.306 -3.944 1.00 0.00 C ATOM 1740 C GLU A 111 -12.021 4.006 -3.721 1.00 0.00 C ATOM 1741 O GLU A 111 -12.141 5.215 -3.916 1.00 0.00 O ATOM 1742 CB GLU A 111 -10.705 2.555 -5.277 1.00 0.00 C ATOM 1743 CG GLU A 111 -11.807 1.513 -5.370 1.00 0.00 C ATOM 1744 CD GLU A 111 -13.103 2.082 -5.914 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -13.222 3.323 -5.990 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -14.000 1.286 -6.264 1.00 0.00 O ATOM 0 H GLU A 111 -10.054 1.472 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.899 4.062 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.826 3.274 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.742 2.067 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.476 0.696 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.987 1.090 -4.381 1.00 0.00 H new ATOM 1753 N MET A 112 -13.024 3.236 -3.310 1.00 0.00 N ATOM 1754 CA MET A 112 -14.353 3.782 -3.060 1.00 0.00 C ATOM 1755 C MET A 112 -14.336 4.723 -1.859 1.00 0.00 C ATOM 1756 O MET A 112 -14.880 5.826 -1.916 1.00 0.00 O ATOM 1757 CB MET A 112 -15.355 2.651 -2.822 1.00 0.00 C ATOM 1758 CG MET A 112 -15.463 2.231 -1.365 1.00 0.00 C ATOM 1759 SD MET A 112 -16.703 0.949 -1.103 1.00 0.00 S ATOM 1760 CE MET A 112 -18.201 1.930 -1.057 1.00 0.00 C ATOM 0 H MET A 112 -12.942 2.233 -3.143 1.00 0.00 H new ATOM 0 HA MET A 112 -14.658 4.349 -3.940 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.337 2.967 -3.174 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.064 1.787 -3.420 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.494 1.869 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.711 3.101 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.059 1.276 -0.901 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.140 2.650 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.317 2.461 -2.002 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.709 4.281 -0.774 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.624 5.083 0.440 1.00 0.00 C ATOM 1772 C ARG A 113 -13.038 6.460 0.141 1.00 0.00 C ATOM 1773 O ARG A 113 -13.503 7.472 0.667 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.769 4.370 1.489 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.558 3.419 2.373 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.413 4.173 3.379 1.00 0.00 C ATOM 1777 NE ARG A 113 -13.688 4.448 4.617 1.00 0.00 N ATOM 1778 CZ ARG A 113 -14.201 5.134 5.632 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.436 5.612 5.557 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -13.479 5.343 6.725 1.00 0.00 N ATOM 0 H ARG A 113 -13.252 3.371 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.633 5.213 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.979 3.813 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.282 5.116 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.195 2.788 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.871 2.757 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.747 5.112 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.306 3.591 3.604 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.736 4.094 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.994 5.453 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.827 6.138 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.529 4.977 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.874 5.870 7.504 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.015 6.491 -0.706 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.364 7.743 -1.074 1.00 0.00 C ATOM 1796 C PHE A 114 -12.357 8.701 -1.726 1.00 0.00 C ATOM 1797 O PHE A 114 -12.396 9.887 -1.401 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.196 7.476 -2.026 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.224 8.617 -2.117 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.484 9.004 -1.011 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.050 9.302 -3.308 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.588 10.053 -1.092 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.155 10.352 -3.395 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.424 10.729 -2.285 1.00 0.00 C ATOM 0 H PHE A 114 -11.619 5.663 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.983 8.206 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.666 6.583 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.589 7.264 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.609 8.480 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.620 9.013 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.016 10.344 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.027 10.877 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.726 11.550 -2.350 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.158 8.177 -2.648 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.152 8.984 -3.344 1.00 0.00 C ATOM 1816 C ALA A 115 -15.197 9.525 -2.375 1.00 0.00 C ATOM 1817 O ALA A 115 -15.644 10.665 -2.501 1.00 0.00 O ATOM 1818 CB ALA A 115 -14.819 8.167 -4.441 1.00 0.00 C ATOM 0 H ALA A 115 -13.138 7.197 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.642 9.834 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.559 8.781 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.066 7.835 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.310 7.299 -4.001 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.583 8.700 -1.408 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.576 9.096 -0.416 1.00 0.00 C ATOM 1826 C LYS A 116 -16.217 10.440 0.208 1.00 0.00 C ATOM 1827 O LYS A 116 -17.093 11.251 0.505 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.689 8.029 0.676 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.301 6.726 0.193 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.819 6.773 0.235 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.434 5.565 -0.454 1.00 0.00 C ATOM 1832 NZ LYS A 116 -18.848 5.338 -1.805 1.00 0.00 N ATOM 0 H LYS A 116 -15.223 7.753 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.537 9.195 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.696 7.827 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.291 8.422 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.971 6.524 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.944 5.904 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.154 6.812 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.169 7.686 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.281 4.679 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.511 5.708 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.509 4.778 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.676 6.254 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.949 4.823 -1.712 1.00 0.00 H new ATOM 1846 N MET A 117 -14.922 10.671 0.401 1.00 0.00 N ATOM 1847 CA MET A 117 -14.447 11.919 0.987 1.00 0.00 C ATOM 1848 C MET A 117 -15.102 13.120 0.311 1.00 0.00 C ATOM 1849 O MET A 117 -15.376 13.097 -0.890 1.00 0.00 O ATOM 1850 CB MET A 117 -12.926 12.018 0.866 1.00 0.00 C ATOM 1851 CG MET A 117 -12.296 12.970 1.870 1.00 0.00 C ATOM 1852 SD MET A 117 -10.497 12.865 1.894 1.00 0.00 S ATOM 1853 CE MET A 117 -10.173 12.229 0.250 1.00 0.00 C ATOM 0 H MET A 117 -14.183 10.010 0.160 1.00 0.00 H new ATOM 0 HA MET A 117 -14.721 11.924 2.042 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.494 11.026 0.998 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.671 12.345 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.593 13.991 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.682 12.750 2.865 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.101 12.259 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.526 11.200 0.182 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.695 12.841 -0.486 1.00 0.00 H new TER 1863 MET A 117