USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1072 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -0.264 X(o=1.2,f=1.5) USER MOD Set 1.2: A 129 HIS : no HD1:sc= 0.921 K(o=1.2,f=-8.1!) USER MOD Set 1.3: A 130 SER OG : rot 10:sc= 0.569 USER MOD Set 2.1: A 13 SER OG : rot 155:sc= -0.671 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 160:sc= 1.31 (180deg=0.995) USER MOD Set 3.1: A 20 SER OG : rot 152:sc= 1.25 USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 3 LYS NZ :NH3+ -135:sc= 0.439 (180deg=-1.24) USER MOD Single : A 7 CYS SG : rot -32:sc= 0.083 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 10 SER OG : rot -32:sc= 0.0463 USER MOD Single : A 19 THR OG1 : rot -60:sc= 1 USER MOD Single : A 21 SER OG : rot -130:sc= -2.96! USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0116 (180deg=-0.15) USER MOD Single : A 25 HIS : no HD1:sc= 0.945 K(o=0.94,f=-4.7!) USER MOD Single : A 34 ASN : amide:sc= 1.1 K(o=1.1,f=-0.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 40 THR OG1 : rot 48:sc= 0.861 USER MOD Single : A 41 THR OG1 : rot 97:sc= -0.304 USER MOD Single : A 44 MET CE :methyl 144:sc= -2.61! (180deg=-5.55!) USER MOD Single : A 47 GLN : amide:sc= -0.271 K(o=-0.27,f=-3.6!) USER MOD Single : A 52 CYS SG : rot -6:sc= 1.29 USER MOD Single : A 54 HIS : no HE2:sc= -0.128 K(o=-0.13,f=-0.94) USER MOD Single : A 56 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-3.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 SER OG : rot 180:sc= -0.423 USER MOD Single : A 67 TYR OH : rot 0:sc= -1.29 USER MOD Single : A 70 GLN : amide:sc= -0.971 K(o=-0.97,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0.512 (180deg=0.376) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 95:sc= 0.0676 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= -0.0513 (180deg=-0.316) USER MOD Single : A 87 GLN : amide:sc=-0.00496 K(o=-0.005,f=-0.96) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0335 (180deg=-0.26) USER MOD Single : A 95 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.05) USER MOD Single : A 96 THR OG1 : rot 99:sc= 1.02 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 101 GLN : amide:sc= -1.32 K(o=-1.3,f=-7.2!) USER MOD Single : A 102 ASN : amide:sc= -0.555 K(o=-0.56,f=-4.3!) USER MOD Single : A 108 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-0.88) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 160:sc= 1.25 USER MOD Single : A 113 TYR OH : rot 55:sc= 0.0281 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -109:sc= 1.06 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.209 -13.275 5.351 1.00 0.00 N ATOM 19 CA ARG A 2 0.457 -13.571 4.143 1.00 0.00 C ATOM 20 C ARG A 2 0.307 -12.331 3.269 1.00 0.00 C ATOM 21 O ARG A 2 -0.430 -12.350 2.284 1.00 0.00 O ATOM 22 CB ARG A 2 -0.924 -14.143 4.481 1.00 0.00 C ATOM 23 CG ARG A 2 -1.904 -13.123 5.042 1.00 0.00 C ATOM 24 CD ARG A 2 -3.265 -13.754 5.278 1.00 0.00 C ATOM 25 NE ARG A 2 -4.279 -12.769 5.645 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.104 -12.896 6.679 1.00 0.00 C ATOM 27 NH1 ARG A 2 -5.008 -13.941 7.499 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.028 -11.969 6.893 1.00 0.00 N ATOM 0 HA ARG A 2 1.019 -14.321 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.352 -14.584 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.803 -14.949 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.519 -12.719 5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.001 -12.287 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.581 -14.278 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.184 -14.500 6.068 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.359 -11.930 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.296 -14.653 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.646 -14.029 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.101 -11.167 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.666 -12.058 7.684 1.00 0.00 H new ATOM 42 N LYS A 3 1.004 -11.259 3.628 1.00 0.00 N ATOM 43 CA LYS A 3 0.984 -10.048 2.827 1.00 0.00 C ATOM 44 C LYS A 3 2.400 -9.487 2.662 1.00 0.00 C ATOM 45 O LYS A 3 3.004 -8.963 3.597 1.00 0.00 O ATOM 46 CB LYS A 3 0.023 -9.002 3.422 1.00 0.00 C ATOM 47 CG LYS A 3 0.455 -8.407 4.754 1.00 0.00 C ATOM 48 CD LYS A 3 -0.536 -7.362 5.239 1.00 0.00 C ATOM 49 CE LYS A 3 0.054 -6.518 6.357 1.00 0.00 C ATOM 50 NZ LYS A 3 1.166 -5.656 5.872 1.00 0.00 N ATOM 0 H LYS A 3 1.586 -11.207 4.464 1.00 0.00 H new ATOM 0 HA LYS A 3 0.609 -10.301 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.097 -8.192 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.956 -9.463 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.544 -9.200 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.442 -7.955 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.825 -6.718 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.443 -7.854 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.727 -5.894 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.419 -7.170 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.961 -5.706 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.479 -5.986 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.836 -4.672 5.799 1.00 0.00 H new ATOM 64 N ILE A 4 2.938 -9.671 1.471 1.00 0.00 N ATOM 65 CA ILE A 4 4.237 -9.131 1.107 1.00 0.00 C ATOM 66 C ILE A 4 4.048 -8.029 0.068 1.00 0.00 C ATOM 67 O ILE A 4 3.040 -8.023 -0.640 1.00 0.00 O ATOM 68 CB ILE A 4 5.153 -10.250 0.546 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.551 -9.714 0.221 1.00 0.00 C ATOM 70 CG2 ILE A 4 4.527 -10.889 -0.688 1.00 0.00 C ATOM 71 CD1 ILE A 4 7.471 -10.760 -0.371 1.00 0.00 C ATOM 0 H ILE A 4 2.486 -10.201 0.726 1.00 0.00 H new ATOM 0 HA ILE A 4 4.715 -8.715 1.994 1.00 0.00 H new ATOM 0 HB ILE A 4 5.257 -11.012 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.460 -8.883 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.001 -9.318 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.185 -11.671 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.563 -11.323 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.385 -10.131 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.444 -10.314 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.591 -11.581 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.042 -11.139 -1.298 1.00 0.00 H new ATOM 83 N ASP A 5 4.984 -7.089 -0.005 1.00 0.00 N ATOM 84 CA ASP A 5 4.900 -6.015 -0.990 1.00 0.00 C ATOM 85 C ASP A 5 5.180 -6.565 -2.387 1.00 0.00 C ATOM 86 O ASP A 5 6.323 -6.866 -2.731 1.00 0.00 O ATOM 87 CB ASP A 5 5.882 -4.887 -0.662 1.00 0.00 C ATOM 88 CG ASP A 5 5.584 -3.620 -1.445 1.00 0.00 C ATOM 89 OD1 ASP A 5 5.567 -3.673 -2.690 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.362 -2.564 -0.808 1.00 0.00 O ATOM 0 H ASP A 5 5.804 -7.048 0.601 1.00 0.00 H new ATOM 0 HA ASP A 5 3.891 -5.604 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.840 -4.670 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.898 -5.217 -0.881 1.00 0.00 H new ATOM 95 N LEU A 6 4.123 -6.705 -3.176 1.00 0.00 N ATOM 96 CA LEU A 6 4.216 -7.303 -4.503 1.00 0.00 C ATOM 97 C LEU A 6 4.485 -6.257 -5.590 1.00 0.00 C ATOM 98 O LEU A 6 4.401 -6.552 -6.781 1.00 0.00 O ATOM 99 CB LEU A 6 2.932 -8.089 -4.805 1.00 0.00 C ATOM 100 CG LEU A 6 2.669 -9.275 -3.862 1.00 0.00 C ATOM 101 CD1 LEU A 6 1.220 -9.729 -3.935 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.592 -10.434 -4.190 1.00 0.00 C ATOM 0 H LEU A 6 3.182 -6.409 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 6 5.066 -7.985 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.084 -7.406 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.981 -8.460 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 6 2.871 -8.938 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.067 -10.569 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.566 -8.906 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.987 -10.038 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.390 -11.263 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.421 -10.756 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.629 -10.117 -4.077 1.00 0.00 H new ATOM 114 N CYS A 7 4.823 -5.040 -5.176 1.00 0.00 N ATOM 115 CA CYS A 7 5.038 -3.943 -6.116 1.00 0.00 C ATOM 116 C CYS A 7 6.513 -3.827 -6.512 1.00 0.00 C ATOM 117 O CYS A 7 6.875 -3.007 -7.348 1.00 0.00 O ATOM 118 CB CYS A 7 4.555 -2.625 -5.497 1.00 0.00 C ATOM 119 SG CYS A 7 4.674 -1.186 -6.591 1.00 0.00 S ATOM 0 H CYS A 7 4.954 -4.788 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 7 4.464 -4.153 -7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.517 -2.744 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.136 -2.428 -4.596 1.00 0.00 H new ATOM 0 HG CYS A 7 5.692 -1.328 -7.386 1.00 0.00 H new ATOM 125 N LEU A 8 7.361 -4.651 -5.918 1.00 0.00 N ATOM 126 CA LEU A 8 8.800 -4.521 -6.100 1.00 0.00 C ATOM 127 C LEU A 8 9.279 -5.302 -7.318 1.00 0.00 C ATOM 128 O LEU A 8 8.790 -6.392 -7.612 1.00 0.00 O ATOM 129 CB LEU A 8 9.514 -5.026 -4.846 1.00 0.00 C ATOM 130 CG LEU A 8 8.967 -4.465 -3.533 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.635 -5.137 -2.345 1.00 0.00 C ATOM 132 CD2 LEU A 8 9.161 -2.961 -3.482 1.00 0.00 C ATOM 0 H LEU A 8 7.079 -5.417 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 8 9.033 -3.469 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.445 -6.113 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.572 -4.775 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 8 7.899 -4.675 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.233 -4.724 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.443 -6.209 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.710 -4.960 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.767 -2.575 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.224 -2.729 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.632 -2.497 -4.315 1.00 0.00 H new ATOM 144 N SER A 9 10.256 -4.739 -8.009 1.00 0.00 N ATOM 145 CA SER A 9 10.852 -5.380 -9.167 1.00 0.00 C ATOM 146 C SER A 9 11.747 -6.536 -8.730 1.00 0.00 C ATOM 147 O SER A 9 12.074 -7.419 -9.521 1.00 0.00 O ATOM 148 CB SER A 9 11.649 -4.351 -9.970 1.00 0.00 C ATOM 149 OG SER A 9 12.611 -3.694 -9.155 1.00 0.00 O ATOM 0 H SER A 9 10.656 -3.828 -7.784 1.00 0.00 H new ATOM 0 HA SER A 9 10.062 -5.784 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.150 -4.845 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.969 -3.615 -10.399 1.00 0.00 H new ATOM 0 HG SER A 9 13.107 -3.043 -9.694 1.00 0.00 H new ATOM 155 N SER A 10 12.114 -6.539 -7.454 1.00 0.00 N ATOM 156 CA SER A 10 12.964 -7.588 -6.908 1.00 0.00 C ATOM 157 C SER A 10 12.084 -8.702 -6.354 1.00 0.00 C ATOM 158 O SER A 10 12.552 -9.794 -6.031 1.00 0.00 O ATOM 159 CB SER A 10 13.880 -7.027 -5.814 1.00 0.00 C ATOM 160 OG SER A 10 14.834 -7.988 -5.393 1.00 0.00 O ATOM 0 H SER A 10 11.836 -5.827 -6.779 1.00 0.00 H new ATOM 0 HA SER A 10 13.599 -7.988 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.394 -6.141 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.279 -6.711 -4.961 1.00 0.00 H new ATOM 0 HG SER A 10 14.447 -8.886 -5.464 1.00 0.00 H new ATOM 166 N GLU A 11 10.797 -8.401 -6.259 1.00 0.00 N ATOM 167 CA GLU A 11 9.801 -9.366 -5.836 1.00 0.00 C ATOM 168 C GLU A 11 9.529 -10.315 -7.000 1.00 0.00 C ATOM 169 O GLU A 11 9.300 -11.511 -6.817 1.00 0.00 O ATOM 170 CB GLU A 11 8.533 -8.612 -5.404 1.00 0.00 C ATOM 171 CG GLU A 11 7.524 -9.431 -4.613 1.00 0.00 C ATOM 172 CD GLU A 11 6.747 -10.407 -5.472 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.076 -9.957 -6.426 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.805 -11.624 -5.202 1.00 0.00 O ATOM 0 H GLU A 11 10.417 -7.479 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 11 10.148 -9.953 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.829 -7.753 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.041 -8.223 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.046 -9.981 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.826 -8.756 -4.118 1.00 0.00 H new ATOM 181 N GLY A 12 9.615 -9.768 -8.207 1.00 0.00 N ATOM 182 CA GLY A 12 9.399 -10.557 -9.401 1.00 0.00 C ATOM 183 C GLY A 12 8.305 -9.987 -10.278 1.00 0.00 C ATOM 184 O GLY A 12 7.784 -10.681 -11.148 1.00 0.00 O ATOM 0 H GLY A 12 9.832 -8.786 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.327 -10.611 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.139 -11.577 -9.117 1.00 0.00 H new ATOM 188 N SER A 13 7.950 -8.730 -10.046 1.00 0.00 N ATOM 189 CA SER A 13 6.918 -8.070 -10.829 1.00 0.00 C ATOM 190 C SER A 13 7.530 -6.983 -11.710 1.00 0.00 C ATOM 191 O SER A 13 8.522 -6.356 -11.333 1.00 0.00 O ATOM 192 CB SER A 13 5.855 -7.476 -9.900 1.00 0.00 C ATOM 193 OG SER A 13 5.312 -8.476 -9.048 1.00 0.00 O ATOM 0 H SER A 13 8.364 -8.147 -9.319 1.00 0.00 H new ATOM 0 HA SER A 13 6.443 -8.806 -11.477 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.295 -6.680 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.059 -7.025 -10.493 1.00 0.00 H new ATOM 0 HG SER A 13 4.971 -8.058 -8.230 1.00 0.00 H new ATOM 199 N GLU A 14 6.944 -6.769 -12.882 1.00 0.00 N ATOM 200 CA GLU A 14 7.462 -5.786 -13.825 1.00 0.00 C ATOM 201 C GLU A 14 6.369 -4.804 -14.234 1.00 0.00 C ATOM 202 O GLU A 14 5.180 -5.132 -14.210 1.00 0.00 O ATOM 203 CB GLU A 14 8.022 -6.466 -15.080 1.00 0.00 C ATOM 204 CG GLU A 14 9.175 -7.419 -14.813 1.00 0.00 C ATOM 205 CD GLU A 14 9.817 -7.917 -16.092 1.00 0.00 C ATOM 206 OE1 GLU A 14 9.239 -8.806 -16.750 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.905 -7.411 -16.455 1.00 0.00 O ATOM 0 H GLU A 14 6.111 -7.263 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 14 8.266 -5.246 -13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.218 -7.015 -15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.355 -5.697 -15.777 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.926 -6.916 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.814 -8.270 -14.235 1.00 0.00 H new ATOM 214 N VAL A 15 6.778 -3.605 -14.616 1.00 0.00 N ATOM 215 CA VAL A 15 5.846 -2.596 -15.092 1.00 0.00 C ATOM 216 C VAL A 15 5.866 -2.549 -16.621 1.00 0.00 C ATOM 217 O VAL A 15 6.925 -2.664 -17.240 1.00 0.00 O ATOM 218 CB VAL A 15 6.169 -1.200 -14.502 1.00 0.00 C ATOM 219 CG1 VAL A 15 7.567 -0.744 -14.891 1.00 0.00 C ATOM 220 CG2 VAL A 15 5.132 -0.171 -14.929 1.00 0.00 C ATOM 0 H VAL A 15 7.753 -3.306 -14.605 1.00 0.00 H new ATOM 0 HA VAL A 15 4.847 -2.871 -14.755 1.00 0.00 H new ATOM 0 HB VAL A 15 6.134 -1.289 -13.416 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.762 0.239 -14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.300 -1.457 -14.514 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.642 -0.686 -15.977 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.384 0.799 -14.500 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.121 -0.095 -16.016 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.148 -0.479 -14.577 1.00 0.00 H new ATOM 230 N ILE A 16 4.695 -2.413 -17.219 1.00 0.00 N ATOM 231 CA ILE A 16 4.567 -2.396 -18.665 1.00 0.00 C ATOM 232 C ILE A 16 3.581 -1.313 -19.102 1.00 0.00 C ATOM 233 O ILE A 16 2.507 -1.172 -18.517 1.00 0.00 O ATOM 234 CB ILE A 16 4.113 -3.779 -19.202 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.871 -3.725 -20.717 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.868 -4.264 -18.472 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.386 -5.035 -21.304 1.00 0.00 C ATOM 0 H ILE A 16 3.812 -2.312 -16.719 1.00 0.00 H new ATOM 0 HA ILE A 16 5.547 -2.172 -19.085 1.00 0.00 H new ATOM 0 HB ILE A 16 4.915 -4.493 -19.013 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.138 -2.948 -20.931 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.797 -3.435 -21.214 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.570 -5.235 -18.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.083 -4.355 -17.407 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.059 -3.549 -18.619 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.237 -4.920 -22.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.128 -5.812 -21.122 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.443 -5.317 -20.835 1.00 0.00 H new ATOM 249 N LEU A 17 3.976 -0.540 -20.112 1.00 0.00 N ATOM 250 CA LEU A 17 3.123 0.492 -20.701 1.00 0.00 C ATOM 251 C LEU A 17 2.875 1.632 -19.709 1.00 0.00 C ATOM 252 O LEU A 17 1.977 1.562 -18.871 1.00 0.00 O ATOM 253 CB LEU A 17 1.791 -0.122 -21.175 1.00 0.00 C ATOM 254 CG LEU A 17 1.054 0.623 -22.298 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.116 -0.211 -22.794 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.557 1.987 -21.838 1.00 0.00 C ATOM 0 H LEU A 17 4.897 -0.611 -20.546 1.00 0.00 H new ATOM 0 HA LEU A 17 3.638 0.910 -21.566 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.985 -1.140 -21.512 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.123 -0.192 -20.317 1.00 0.00 H new ATOM 0 HG LEU A 17 1.763 0.782 -23.111 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.633 0.325 -23.590 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.252 -1.163 -23.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.807 -0.394 -21.971 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.041 2.483 -22.660 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.131 1.861 -21.002 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.404 2.595 -21.522 1.00 0.00 H new ATOM 268 N ALA A 18 3.693 2.670 -19.796 1.00 0.00 N ATOM 269 CA ALA A 18 3.478 3.872 -19.007 1.00 0.00 C ATOM 270 C ALA A 18 3.152 5.039 -19.930 1.00 0.00 C ATOM 271 O ALA A 18 3.865 5.284 -20.904 1.00 0.00 O ATOM 272 CB ALA A 18 4.687 4.176 -18.133 1.00 0.00 C ATOM 0 H ALA A 18 4.511 2.704 -20.405 1.00 0.00 H new ATOM 0 HA ALA A 18 2.632 3.710 -18.339 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.499 5.080 -17.554 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.865 3.341 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.564 4.325 -18.764 1.00 0.00 H new ATOM 278 N THR A 19 2.070 5.744 -19.615 1.00 0.00 N ATOM 279 CA THR A 19 1.533 6.801 -20.472 1.00 0.00 C ATOM 280 C THR A 19 2.582 7.866 -20.821 1.00 0.00 C ATOM 281 O THR A 19 2.606 8.381 -21.939 1.00 0.00 O ATOM 282 CB THR A 19 0.328 7.469 -19.789 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.506 6.456 -19.208 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.481 8.289 -20.785 1.00 0.00 C ATOM 0 H THR A 19 1.538 5.600 -18.757 1.00 0.00 H new ATOM 0 HA THR A 19 1.223 6.330 -21.405 1.00 0.00 H new ATOM 0 HB THR A 19 0.696 8.142 -19.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.822 5.850 -19.910 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.327 8.750 -20.275 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.151 9.066 -21.215 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.847 7.639 -21.579 1.00 0.00 H new ATOM 292 N SER A 20 3.445 8.189 -19.873 1.00 0.00 N ATOM 293 CA SER A 20 4.501 9.162 -20.105 1.00 0.00 C ATOM 294 C SER A 20 5.678 8.852 -19.194 1.00 0.00 C ATOM 295 O SER A 20 5.519 8.125 -18.213 1.00 0.00 O ATOM 296 CB SER A 20 3.982 10.583 -19.856 1.00 0.00 C ATOM 297 OG SER A 20 4.915 11.560 -20.292 1.00 0.00 O ATOM 0 H SER A 20 3.436 7.792 -18.934 1.00 0.00 H new ATOM 0 HA SER A 20 4.828 9.101 -21.143 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.036 10.723 -20.379 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.782 10.718 -18.793 1.00 0.00 H new ATOM 0 HG SER A 20 4.438 12.377 -20.549 1.00 0.00 H new ATOM 303 N SER A 21 6.848 9.386 -19.517 1.00 0.00 N ATOM 304 CA SER A 21 8.043 9.103 -18.743 1.00 0.00 C ATOM 305 C SER A 21 9.183 10.037 -19.123 1.00 0.00 C ATOM 306 O SER A 21 9.250 10.531 -20.253 1.00 0.00 O ATOM 307 CB SER A 21 8.474 7.652 -18.967 1.00 0.00 C ATOM 308 OG SER A 21 9.643 7.342 -18.231 1.00 0.00 O ATOM 0 H SER A 21 6.992 10.015 -20.307 1.00 0.00 H new ATOM 0 HA SER A 21 7.808 9.261 -17.690 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.667 6.981 -18.671 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.655 7.484 -20.029 1.00 0.00 H new ATOM 0 HG SER A 21 10.299 6.918 -18.823 1.00 0.00 H new ATOM 314 N ASP A 22 10.066 10.281 -18.166 1.00 0.00 N ATOM 315 CA ASP A 22 11.311 10.975 -18.426 1.00 0.00 C ATOM 316 C ASP A 22 12.463 10.038 -18.090 1.00 0.00 C ATOM 317 O ASP A 22 12.393 9.275 -17.128 1.00 0.00 O ATOM 318 CB ASP A 22 11.411 12.280 -17.624 1.00 0.00 C ATOM 319 CG ASP A 22 11.602 12.068 -16.136 1.00 0.00 C ATOM 320 OD1 ASP A 22 10.595 11.904 -15.418 1.00 0.00 O ATOM 321 OD2 ASP A 22 12.764 12.102 -15.671 1.00 0.00 O ATOM 0 H ASP A 22 9.937 10.004 -17.193 1.00 0.00 H new ATOM 0 HA ASP A 22 11.354 11.254 -19.479 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.244 12.869 -18.008 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.506 12.865 -17.785 1.00 0.00 H new ATOM 326 N GLU A 23 13.507 10.081 -18.897 1.00 0.00 N ATOM 327 CA GLU A 23 14.610 9.134 -18.784 1.00 0.00 C ATOM 328 C GLU A 23 15.458 9.391 -17.541 1.00 0.00 C ATOM 329 O GLU A 23 16.338 8.595 -17.208 1.00 0.00 O ATOM 330 CB GLU A 23 15.496 9.192 -20.031 1.00 0.00 C ATOM 331 CG GLU A 23 14.720 9.177 -21.340 1.00 0.00 C ATOM 332 CD GLU A 23 14.372 10.569 -21.831 1.00 0.00 C ATOM 333 OE1 GLU A 23 13.441 11.192 -21.280 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.045 11.054 -22.762 1.00 0.00 O ATOM 0 H GLU A 23 13.618 10.766 -19.645 1.00 0.00 H new ATOM 0 HA GLU A 23 14.171 8.140 -18.694 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.104 10.096 -19.991 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.182 8.345 -20.017 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.309 8.665 -22.101 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.803 8.603 -21.207 1.00 0.00 H new ATOM 341 N LYS A 24 15.200 10.500 -16.861 1.00 0.00 N ATOM 342 CA LYS A 24 15.945 10.846 -15.663 1.00 0.00 C ATOM 343 C LYS A 24 15.432 10.027 -14.482 1.00 0.00 C ATOM 344 O LYS A 24 16.188 9.687 -13.572 1.00 0.00 O ATOM 345 CB LYS A 24 15.838 12.347 -15.388 1.00 0.00 C ATOM 346 CG LYS A 24 16.793 12.846 -14.316 1.00 0.00 C ATOM 347 CD LYS A 24 16.832 14.366 -14.273 1.00 0.00 C ATOM 348 CE LYS A 24 17.329 14.955 -15.591 1.00 0.00 C ATOM 349 NZ LYS A 24 18.707 14.507 -15.924 1.00 0.00 N ATOM 0 H LYS A 24 14.480 11.174 -17.120 1.00 0.00 H new ATOM 0 HA LYS A 24 16.999 10.609 -15.811 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.030 12.891 -16.313 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.816 12.580 -15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.485 12.461 -13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.794 12.460 -14.510 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.835 14.750 -14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.483 14.691 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.651 14.666 -16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.307 16.043 -15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.066 15.058 -16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.327 14.652 -15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.693 13.497 -16.173 1.00 0.00 H new ATOM 363 N HIS A 25 14.144 9.715 -14.506 1.00 0.00 N ATOM 364 CA HIS A 25 13.553 8.785 -13.550 1.00 0.00 C ATOM 365 C HIS A 25 12.511 7.921 -14.244 1.00 0.00 C ATOM 366 O HIS A 25 11.336 8.275 -14.310 1.00 0.00 O ATOM 367 CB HIS A 25 12.939 9.512 -12.349 1.00 0.00 C ATOM 368 CG HIS A 25 13.946 9.882 -11.303 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.379 11.173 -11.096 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.609 9.116 -10.403 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.266 11.186 -10.116 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.423 9.951 -9.677 1.00 0.00 N ATOM 0 H HIS A 25 13.482 10.095 -15.183 1.00 0.00 H new ATOM 0 HA HIS A 25 14.350 8.148 -13.166 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.438 10.415 -12.697 1.00 0.00 H new ATOM 0 HB3 HIS A 25 12.175 8.877 -11.900 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.515 8.047 -10.279 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.776 12.060 -9.738 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.046 9.664 -8.923 1.00 0.00 H new ATOM 380 N PRO A 26 12.954 6.780 -14.790 1.00 0.00 N ATOM 381 CA PRO A 26 12.100 5.884 -15.577 1.00 0.00 C ATOM 382 C PRO A 26 11.056 5.153 -14.725 1.00 0.00 C ATOM 383 O PRO A 26 11.218 5.008 -13.511 1.00 0.00 O ATOM 384 CB PRO A 26 13.102 4.897 -16.184 1.00 0.00 C ATOM 385 CG PRO A 26 14.247 4.882 -15.234 1.00 0.00 C ATOM 386 CD PRO A 26 14.336 6.275 -14.681 1.00 0.00 C ATOM 0 HA PRO A 26 11.510 6.426 -16.316 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.664 3.905 -16.291 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.417 5.215 -17.178 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.086 4.155 -14.438 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.171 4.602 -15.739 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.683 6.275 -13.648 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.033 6.889 -15.251 1.00 0.00 H new ATOM 394 N PRO A 27 9.972 4.672 -15.367 1.00 0.00 N ATOM 395 CA PRO A 27 8.845 4.018 -14.687 1.00 0.00 C ATOM 396 C PRO A 27 9.250 2.792 -13.877 1.00 0.00 C ATOM 397 O PRO A 27 8.563 2.427 -12.930 1.00 0.00 O ATOM 398 CB PRO A 27 7.914 3.608 -15.832 1.00 0.00 C ATOM 399 CG PRO A 27 8.280 4.507 -16.956 1.00 0.00 C ATOM 400 CD PRO A 27 9.754 4.739 -16.820 1.00 0.00 C ATOM 0 HA PRO A 27 8.390 4.690 -13.959 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.054 2.561 -16.101 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.867 3.728 -15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.042 4.051 -17.917 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.729 5.446 -16.903 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.331 3.981 -17.349 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.049 5.706 -17.227 1.00 0.00 H new ATOM 408 N GLU A 28 10.360 2.154 -14.238 1.00 0.00 N ATOM 409 CA GLU A 28 10.849 1.000 -13.482 1.00 0.00 C ATOM 410 C GLU A 28 11.185 1.376 -12.037 1.00 0.00 C ATOM 411 O GLU A 28 11.332 0.504 -11.188 1.00 0.00 O ATOM 412 CB GLU A 28 12.064 0.339 -14.154 1.00 0.00 C ATOM 413 CG GLU A 28 12.915 1.270 -15.001 1.00 0.00 C ATOM 414 CD GLU A 28 12.389 1.404 -16.417 1.00 0.00 C ATOM 415 OE1 GLU A 28 11.544 2.287 -16.660 1.00 0.00 O ATOM 416 OE2 GLU A 28 12.819 0.627 -17.291 1.00 0.00 O ATOM 0 H GLU A 28 10.934 2.411 -15.041 1.00 0.00 H new ATOM 0 HA GLU A 28 10.037 0.273 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.693 -0.101 -13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.712 -0.479 -14.782 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.948 2.254 -14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.939 0.897 -15.030 1.00 0.00 H new ATOM 423 N ASN A 29 11.285 2.671 -11.758 1.00 0.00 N ATOM 424 CA ASN A 29 11.506 3.145 -10.392 1.00 0.00 C ATOM 425 C ASN A 29 10.266 2.891 -9.529 1.00 0.00 C ATOM 426 O ASN A 29 10.359 2.777 -8.304 1.00 0.00 O ATOM 427 CB ASN A 29 11.850 4.640 -10.394 1.00 0.00 C ATOM 428 CG ASN A 29 12.055 5.205 -8.999 1.00 0.00 C ATOM 429 OD1 ASN A 29 11.119 5.698 -8.369 1.00 0.00 O ATOM 430 ND2 ASN A 29 13.280 5.137 -8.502 1.00 0.00 N ATOM 0 H ASN A 29 11.217 3.412 -12.456 1.00 0.00 H new ATOM 0 HA ASN A 29 12.345 2.593 -9.968 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.755 4.798 -10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.050 5.190 -10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.472 5.500 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.031 4.722 -9.053 1.00 0.00 H new ATOM 437 N ILE A 30 9.118 2.763 -10.191 1.00 0.00 N ATOM 438 CA ILE A 30 7.842 2.557 -9.511 1.00 0.00 C ATOM 439 C ILE A 30 7.815 1.186 -8.830 1.00 0.00 C ATOM 440 O ILE A 30 7.118 0.983 -7.839 1.00 0.00 O ATOM 441 CB ILE A 30 6.658 2.694 -10.512 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.404 3.214 -9.811 1.00 0.00 C ATOM 443 CG2 ILE A 30 6.354 1.369 -11.203 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.284 3.552 -10.777 1.00 0.00 C ATOM 0 H ILE A 30 9.046 2.799 -11.208 1.00 0.00 H new ATOM 0 HA ILE A 30 7.732 3.325 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 30 6.961 3.415 -11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.052 2.464 -9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.659 4.102 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.522 1.502 -11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.234 1.035 -11.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.089 0.621 -10.456 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.421 3.916 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.621 4.324 -11.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.005 2.659 -11.337 1.00 0.00 H new ATOM 456 N ILE A 31 8.599 0.255 -9.367 1.00 0.00 N ATOM 457 CA ILE A 31 8.707 -1.085 -8.800 1.00 0.00 C ATOM 458 C ILE A 31 10.061 -1.268 -8.117 1.00 0.00 C ATOM 459 O ILE A 31 10.256 -2.178 -7.316 1.00 0.00 O ATOM 460 CB ILE A 31 8.529 -2.177 -9.883 1.00 0.00 C ATOM 461 CG1 ILE A 31 9.458 -1.921 -11.075 1.00 0.00 C ATOM 462 CG2 ILE A 31 7.082 -2.245 -10.346 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.320 -2.940 -12.189 1.00 0.00 C ATOM 0 H ILE A 31 9.171 0.406 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 31 7.908 -1.192 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 31 8.796 -3.136 -9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.254 -0.928 -11.476 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.490 -1.917 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.979 -3.019 -11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.439 -2.482 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.789 -1.283 -10.765 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.009 -2.692 -12.996 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.554 -3.933 -11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.298 -2.929 -12.568 1.00 0.00 H new ATOM 475 N ASP A 32 10.982 -0.383 -8.446 1.00 0.00 N ATOM 476 CA ASP A 32 12.351 -0.446 -7.946 1.00 0.00 C ATOM 477 C ASP A 32 12.402 -0.224 -6.439 1.00 0.00 C ATOM 478 O ASP A 32 13.002 -1.014 -5.711 1.00 0.00 O ATOM 479 CB ASP A 32 13.217 0.590 -8.661 1.00 0.00 C ATOM 480 CG ASP A 32 14.614 0.674 -8.092 1.00 0.00 C ATOM 481 OD1 ASP A 32 15.363 -0.323 -8.184 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.968 1.740 -7.551 1.00 0.00 O ATOM 0 H ASP A 32 10.806 0.405 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 32 12.740 -1.443 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.275 0.340 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.740 1.568 -8.589 1.00 0.00 H new ATOM 487 N GLY A 33 11.767 0.843 -5.976 1.00 0.00 N ATOM 488 CA GLY A 33 11.705 1.092 -4.549 1.00 0.00 C ATOM 489 C GLY A 33 12.566 2.257 -4.098 1.00 0.00 C ATOM 490 O GLY A 33 12.686 2.511 -2.903 1.00 0.00 O ATOM 0 H GLY A 33 11.297 1.537 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.670 1.285 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.018 0.193 -4.018 1.00 0.00 H new ATOM 494 N ASN A 34 13.169 2.975 -5.038 1.00 0.00 N ATOM 495 CA ASN A 34 13.931 4.171 -4.687 1.00 0.00 C ATOM 496 C ASN A 34 12.996 5.367 -4.561 1.00 0.00 C ATOM 497 O ASN A 34 12.346 5.766 -5.527 1.00 0.00 O ATOM 498 CB ASN A 34 15.034 4.464 -5.710 1.00 0.00 C ATOM 499 CG ASN A 34 16.374 3.873 -5.305 1.00 0.00 C ATOM 500 OD1 ASN A 34 17.158 4.509 -4.599 1.00 0.00 O ATOM 501 ND2 ASN A 34 16.656 2.662 -5.756 1.00 0.00 N ATOM 0 H ASN A 34 13.148 2.756 -6.034 1.00 0.00 H new ATOM 0 HA ASN A 34 14.414 3.988 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.742 4.062 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.137 5.542 -5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.547 2.225 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.982 2.165 -6.338 1.00 0.00 H new ATOM 508 N PRO A 35 12.919 5.942 -3.353 1.00 0.00 N ATOM 509 CA PRO A 35 11.975 7.012 -3.025 1.00 0.00 C ATOM 510 C PRO A 35 12.460 8.404 -3.427 1.00 0.00 C ATOM 511 O PRO A 35 11.963 9.406 -2.910 1.00 0.00 O ATOM 512 CB PRO A 35 11.862 6.903 -1.508 1.00 0.00 C ATOM 513 CG PRO A 35 13.191 6.394 -1.058 1.00 0.00 C ATOM 514 CD PRO A 35 13.760 5.584 -2.195 1.00 0.00 C ATOM 0 HA PRO A 35 11.034 6.897 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.637 7.870 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.060 6.223 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.854 7.220 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.086 5.781 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.807 5.829 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.714 4.515 -1.985 1.00 0.00 H new ATOM 522 N GLU A 36 13.425 8.452 -4.343 1.00 0.00 N ATOM 523 CA GLU A 36 13.957 9.715 -4.854 1.00 0.00 C ATOM 524 C GLU A 36 12.829 10.653 -5.262 1.00 0.00 C ATOM 525 O GLU A 36 12.699 11.766 -4.749 1.00 0.00 O ATOM 526 CB GLU A 36 14.833 9.466 -6.079 1.00 0.00 C ATOM 527 CG GLU A 36 15.991 8.517 -5.849 1.00 0.00 C ATOM 528 CD GLU A 36 16.749 8.252 -7.130 1.00 0.00 C ATOM 529 OE1 GLU A 36 17.217 9.231 -7.756 1.00 0.00 O ATOM 530 OE2 GLU A 36 16.851 7.080 -7.539 1.00 0.00 O ATOM 0 H GLU A 36 13.858 7.623 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 36 14.544 10.169 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.209 9.069 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.227 10.421 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.667 8.939 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.618 7.576 -5.444 1.00 0.00 H new ATOM 537 N THR A 37 12.035 10.192 -6.209 1.00 0.00 N ATOM 538 CA THR A 37 10.904 10.941 -6.713 1.00 0.00 C ATOM 539 C THR A 37 9.850 9.949 -7.202 1.00 0.00 C ATOM 540 O THR A 37 10.152 8.769 -7.386 1.00 0.00 O ATOM 541 CB THR A 37 11.338 11.882 -7.863 1.00 0.00 C ATOM 542 OG1 THR A 37 12.516 12.603 -7.478 1.00 0.00 O ATOM 543 CG2 THR A 37 10.243 12.880 -8.215 1.00 0.00 C ATOM 0 H THR A 37 12.159 9.282 -6.652 1.00 0.00 H new ATOM 0 HA THR A 37 10.490 11.562 -5.919 1.00 0.00 H new ATOM 0 HB THR A 37 11.538 11.264 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.789 13.197 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.584 13.523 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.348 12.343 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.012 13.489 -7.341 1.00 0.00 H new ATOM 551 N PHE A 38 8.627 10.409 -7.397 1.00 0.00 N ATOM 552 CA PHE A 38 7.558 9.544 -7.872 1.00 0.00 C ATOM 553 C PHE A 38 7.444 9.632 -9.387 1.00 0.00 C ATOM 554 O PHE A 38 8.089 10.473 -10.017 1.00 0.00 O ATOM 555 CB PHE A 38 6.216 9.921 -7.229 1.00 0.00 C ATOM 556 CG PHE A 38 6.257 11.156 -6.368 1.00 0.00 C ATOM 557 CD1 PHE A 38 6.200 12.420 -6.936 1.00 0.00 C ATOM 558 CD2 PHE A 38 6.347 11.049 -4.989 1.00 0.00 C ATOM 559 CE1 PHE A 38 6.236 13.552 -6.145 1.00 0.00 C ATOM 560 CE2 PHE A 38 6.381 12.178 -4.194 1.00 0.00 C ATOM 561 CZ PHE A 38 6.325 13.431 -4.772 1.00 0.00 C ATOM 0 H PHE A 38 8.348 11.376 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 38 7.802 8.521 -7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.479 10.069 -8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.871 9.083 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.127 12.520 -8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.391 10.072 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.195 14.531 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.451 12.081 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.351 14.315 -4.152 1.00 0.00 H new ATOM 571 N TRP A 39 6.621 8.771 -9.963 1.00 0.00 N ATOM 572 CA TRP A 39 6.381 8.807 -11.391 1.00 0.00 C ATOM 573 C TRP A 39 5.284 9.813 -11.689 1.00 0.00 C ATOM 574 O TRP A 39 4.197 9.754 -11.109 1.00 0.00 O ATOM 575 CB TRP A 39 5.991 7.422 -11.926 1.00 0.00 C ATOM 576 CG TRP A 39 5.493 7.464 -13.342 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.244 7.563 -14.477 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.126 7.420 -13.768 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.425 7.600 -15.580 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.122 7.510 -15.171 1.00 0.00 C ATOM 581 CE3 TRP A 39 2.904 7.315 -13.098 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.942 7.501 -15.914 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.738 7.304 -13.835 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.765 7.398 -15.230 1.00 0.00 C ATOM 0 H TRP A 39 6.111 8.042 -9.464 1.00 0.00 H new ATOM 0 HA TRP A 39 7.302 9.107 -11.892 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.854 6.759 -11.869 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.218 6.995 -11.287 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.323 7.606 -14.504 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.738 7.681 -16.547 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.873 7.244 -12.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.959 7.573 -16.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.789 7.221 -13.326 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.835 7.389 -15.778 1.00 0.00 H new ATOM 595 N THR A 40 5.582 10.748 -12.569 1.00 0.00 N ATOM 596 CA THR A 40 4.627 11.769 -12.936 1.00 0.00 C ATOM 597 C THR A 40 4.558 11.903 -14.454 1.00 0.00 C ATOM 598 O THR A 40 5.561 11.741 -15.150 1.00 0.00 O ATOM 599 CB THR A 40 4.980 13.126 -12.282 1.00 0.00 C ATOM 600 OG1 THR A 40 3.984 14.109 -12.596 1.00 0.00 O ATOM 601 CG2 THR A 40 6.350 13.619 -12.729 1.00 0.00 C ATOM 0 H THR A 40 6.482 10.820 -13.044 1.00 0.00 H new ATOM 0 HA THR A 40 3.647 11.469 -12.566 1.00 0.00 H new ATOM 0 HB THR A 40 5.007 12.974 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.092 13.731 -12.444 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.567 14.574 -12.251 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.109 12.891 -12.445 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.356 13.745 -13.812 1.00 0.00 H new ATOM 609 N THR A 41 3.365 12.163 -14.959 1.00 0.00 N ATOM 610 CA THR A 41 3.153 12.301 -16.390 1.00 0.00 C ATOM 611 C THR A 41 3.410 13.742 -16.826 1.00 0.00 C ATOM 612 O THR A 41 3.350 14.662 -16.015 1.00 0.00 O ATOM 613 CB THR A 41 1.717 11.875 -16.777 1.00 0.00 C ATOM 614 OG1 THR A 41 1.517 11.965 -18.195 1.00 0.00 O ATOM 615 CG2 THR A 41 0.685 12.732 -16.065 1.00 0.00 C ATOM 0 H THR A 41 2.523 12.284 -14.396 1.00 0.00 H new ATOM 0 HA THR A 41 3.856 11.645 -16.904 1.00 0.00 H new ATOM 0 HB THR A 41 1.591 10.837 -16.467 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.650 11.083 -18.601 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.316 12.412 -16.354 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.803 12.623 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.826 13.777 -16.342 1.00 0.00 H new ATOM 623 N THR A 42 3.681 13.932 -18.109 1.00 0.00 N ATOM 624 CA THR A 42 3.954 15.256 -18.653 1.00 0.00 C ATOM 625 C THR A 42 2.660 16.011 -18.961 1.00 0.00 C ATOM 626 O THR A 42 2.652 16.968 -19.737 1.00 0.00 O ATOM 627 CB THR A 42 4.798 15.141 -19.934 1.00 0.00 C ATOM 628 OG1 THR A 42 4.244 14.132 -20.789 1.00 0.00 O ATOM 629 CG2 THR A 42 6.243 14.800 -19.603 1.00 0.00 C ATOM 0 H THR A 42 3.718 13.181 -18.798 1.00 0.00 H new ATOM 0 HA THR A 42 4.507 15.815 -17.899 1.00 0.00 H new ATOM 0 HB THR A 42 4.781 16.103 -20.446 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.783 14.062 -21.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.819 14.724 -20.525 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.667 15.583 -18.974 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.280 13.848 -19.073 1.00 0.00 H new ATOM 637 N GLY A 43 1.576 15.594 -18.323 1.00 0.00 N ATOM 638 CA GLY A 43 0.278 16.178 -18.599 1.00 0.00 C ATOM 639 C GLY A 43 -0.522 15.328 -19.561 1.00 0.00 C ATOM 640 O GLY A 43 -1.553 15.755 -20.079 1.00 0.00 O ATOM 0 H GLY A 43 1.572 14.859 -17.616 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.276 16.293 -17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.409 17.176 -19.017 1.00 0.00 H new ATOM 644 N MET A 44 -0.039 14.116 -19.801 1.00 0.00 N ATOM 645 CA MET A 44 -0.711 13.191 -20.702 1.00 0.00 C ATOM 646 C MET A 44 -1.865 12.496 -19.992 1.00 0.00 C ATOM 647 O MET A 44 -1.681 11.458 -19.358 1.00 0.00 O ATOM 648 CB MET A 44 0.273 12.150 -21.249 1.00 0.00 C ATOM 649 CG MET A 44 1.361 12.722 -22.151 1.00 0.00 C ATOM 650 SD MET A 44 0.781 13.124 -23.817 1.00 0.00 S ATOM 651 CE MET A 44 -0.195 14.599 -23.525 1.00 0.00 C ATOM 0 H MET A 44 0.817 13.751 -19.383 1.00 0.00 H new ATOM 0 HA MET A 44 -1.108 13.765 -21.539 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.745 11.639 -20.410 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.286 11.398 -21.806 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.768 13.622 -21.690 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.177 12.003 -22.223 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.079 15.284 -24.365 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.245 14.326 -23.421 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.145 15.085 -22.611 1.00 0.00 H new ATOM 661 N PHE A 45 -3.032 13.120 -20.053 1.00 0.00 N ATOM 662 CA PHE A 45 -4.255 12.527 -19.535 1.00 0.00 C ATOM 663 C PHE A 45 -5.147 12.090 -20.692 1.00 0.00 C ATOM 664 O PHE A 45 -5.148 12.722 -21.750 1.00 0.00 O ATOM 665 CB PHE A 45 -5.002 13.520 -18.637 1.00 0.00 C ATOM 666 CG PHE A 45 -4.351 13.732 -17.300 1.00 0.00 C ATOM 667 CD1 PHE A 45 -3.311 14.636 -17.151 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.784 13.027 -16.190 1.00 0.00 C ATOM 669 CE1 PHE A 45 -2.715 14.830 -15.922 1.00 0.00 C ATOM 670 CE2 PHE A 45 -4.192 13.218 -14.957 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.155 14.120 -14.823 1.00 0.00 C ATOM 0 H PHE A 45 -3.157 14.047 -20.461 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.993 11.655 -18.935 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.075 14.478 -19.152 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.020 13.162 -18.483 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.963 15.195 -18.007 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.594 12.320 -16.289 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.905 15.537 -15.820 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.540 12.663 -14.099 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.689 14.270 -13.860 1.00 0.00 H new ATOM 681 N PRO A 46 -5.906 10.998 -20.518 1.00 0.00 N ATOM 682 CA PRO A 46 -5.908 10.216 -19.283 1.00 0.00 C ATOM 683 C PRO A 46 -4.674 9.329 -19.164 1.00 0.00 C ATOM 684 O PRO A 46 -3.938 9.130 -20.132 1.00 0.00 O ATOM 685 CB PRO A 46 -7.171 9.363 -19.410 1.00 0.00 C ATOM 686 CG PRO A 46 -7.359 9.187 -20.877 1.00 0.00 C ATOM 687 CD PRO A 46 -6.825 10.438 -21.526 1.00 0.00 C ATOM 0 HA PRO A 46 -5.892 10.848 -18.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.053 8.403 -18.907 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.030 9.857 -18.957 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.826 8.306 -21.234 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.412 9.042 -21.119 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.306 10.214 -22.458 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.627 11.136 -21.767 1.00 0.00 H new ATOM 695 N GLN A 47 -4.459 8.798 -17.977 1.00 0.00 N ATOM 696 CA GLN A 47 -3.315 7.947 -17.720 1.00 0.00 C ATOM 697 C GLN A 47 -3.753 6.504 -17.582 1.00 0.00 C ATOM 698 O GLN A 47 -4.866 6.223 -17.148 1.00 0.00 O ATOM 699 CB GLN A 47 -2.614 8.367 -16.429 1.00 0.00 C ATOM 700 CG GLN A 47 -1.996 9.750 -16.474 1.00 0.00 C ATOM 701 CD GLN A 47 -1.463 10.177 -15.122 1.00 0.00 C ATOM 702 OE1 GLN A 47 -2.158 10.810 -14.336 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.223 9.816 -14.833 1.00 0.00 N ATOM 0 H GLN A 47 -5.066 8.942 -17.170 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.628 8.047 -18.560 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.333 8.330 -15.611 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.834 7.641 -16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.186 9.762 -17.203 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.741 10.469 -16.814 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.326 9.289 -15.512 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.183 10.064 -13.931 1.00 0.00 H new ATOM 712 N GLU A 48 -2.880 5.599 -17.973 1.00 0.00 N ATOM 713 CA GLU A 48 -3.059 4.192 -17.681 1.00 0.00 C ATOM 714 C GLU A 48 -1.720 3.478 -17.755 1.00 0.00 C ATOM 715 O GLU A 48 -1.015 3.548 -18.765 1.00 0.00 O ATOM 716 CB GLU A 48 -4.094 3.527 -18.604 1.00 0.00 C ATOM 717 CG GLU A 48 -3.746 3.537 -20.084 1.00 0.00 C ATOM 718 CD GLU A 48 -4.675 2.647 -20.885 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.525 1.410 -20.817 1.00 0.00 O ATOM 720 OE2 GLU A 48 -5.573 3.169 -21.576 1.00 0.00 O ATOM 0 H GLU A 48 -2.033 5.815 -18.498 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.454 4.110 -16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.229 2.493 -18.286 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.052 4.029 -18.469 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.802 4.557 -20.464 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.717 3.203 -20.218 1.00 0.00 H new ATOM 727 N PHE A 49 -1.351 2.847 -16.660 1.00 0.00 N ATOM 728 CA PHE A 49 -0.131 2.067 -16.608 1.00 0.00 C ATOM 729 C PHE A 49 -0.439 0.684 -16.068 1.00 0.00 C ATOM 730 O PHE A 49 -1.275 0.526 -15.171 1.00 0.00 O ATOM 731 CB PHE A 49 0.953 2.771 -15.773 1.00 0.00 C ATOM 732 CG PHE A 49 0.564 3.084 -14.351 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.168 4.223 -14.052 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.949 2.250 -13.314 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.511 4.521 -12.747 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.611 2.545 -12.005 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.120 3.682 -11.723 1.00 0.00 C ATOM 0 H PHE A 49 -1.882 2.859 -15.789 1.00 0.00 H new ATOM 0 HA PHE A 49 0.268 1.969 -17.618 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.844 2.143 -15.759 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.226 3.701 -16.271 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.474 4.885 -14.849 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.520 1.359 -13.530 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.085 5.410 -12.528 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.918 1.887 -11.205 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.386 3.915 -10.702 1.00 0.00 H new ATOM 747 N ILE A 50 0.209 -0.317 -16.633 1.00 0.00 N ATOM 748 CA ILE A 50 -0.082 -1.695 -16.289 1.00 0.00 C ATOM 749 C ILE A 50 1.067 -2.307 -15.499 1.00 0.00 C ATOM 750 O ILE A 50 2.208 -2.321 -15.950 1.00 0.00 O ATOM 751 CB ILE A 50 -0.344 -2.537 -17.558 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.468 -1.907 -18.391 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.696 -3.971 -17.191 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.733 -2.625 -19.698 1.00 0.00 C ATOM 0 H ILE A 50 0.941 -0.201 -17.333 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.980 -1.699 -15.672 1.00 0.00 H new ATOM 0 HB ILE A 50 0.568 -2.552 -18.155 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.384 -1.897 -17.800 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.213 -0.868 -18.602 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.876 -4.545 -18.100 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.130 -4.418 -16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.594 -3.978 -16.573 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.540 -2.123 -20.232 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.831 -2.613 -20.309 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.020 -3.657 -19.495 1.00 0.00 H new ATOM 766 N ILE A 51 0.771 -2.795 -14.311 1.00 0.00 N ATOM 767 CA ILE A 51 1.766 -3.494 -13.523 1.00 0.00 C ATOM 768 C ILE A 51 1.448 -4.981 -13.508 1.00 0.00 C ATOM 769 O ILE A 51 0.368 -5.392 -13.082 1.00 0.00 O ATOM 770 CB ILE A 51 1.851 -2.958 -12.078 1.00 0.00 C ATOM 771 CG1 ILE A 51 2.212 -1.468 -12.087 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.878 -3.751 -11.275 1.00 0.00 C ATOM 773 CD1 ILE A 51 2.339 -0.866 -10.705 1.00 0.00 C ATOM 0 H ILE A 51 -0.146 -2.721 -13.872 1.00 0.00 H new ATOM 0 HA ILE A 51 2.737 -3.323 -13.988 1.00 0.00 H new ATOM 0 HB ILE A 51 0.877 -3.078 -11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.153 -1.334 -12.620 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.450 -0.922 -12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.926 -3.360 -10.259 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.586 -4.801 -11.247 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.857 -3.659 -11.745 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.596 0.190 -10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.392 -0.967 -10.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.121 -1.386 -10.152 1.00 0.00 H new ATOM 785 N CYS A 52 2.375 -5.778 -14.002 1.00 0.00 N ATOM 786 CA CYS A 52 2.186 -7.212 -14.060 1.00 0.00 C ATOM 787 C CYS A 52 3.042 -7.904 -13.012 1.00 0.00 C ATOM 788 O CYS A 52 4.253 -7.689 -12.943 1.00 0.00 O ATOM 789 CB CYS A 52 2.512 -7.740 -15.459 1.00 0.00 C ATOM 790 SG CYS A 52 4.148 -7.279 -16.075 1.00 0.00 S ATOM 0 H CYS A 52 3.269 -5.454 -14.370 1.00 0.00 H new ATOM 0 HA CYS A 52 1.140 -7.432 -13.847 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.435 -8.827 -15.450 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.759 -7.373 -16.156 1.00 0.00 H new ATOM 0 HG CYS A 52 4.714 -6.463 -15.236 1.00 0.00 H new ATOM 796 N PHE A 53 2.406 -8.741 -12.205 1.00 0.00 N ATOM 797 CA PHE A 53 3.101 -9.457 -11.143 1.00 0.00 C ATOM 798 C PHE A 53 4.017 -10.522 -11.722 1.00 0.00 C ATOM 799 O PHE A 53 4.852 -11.084 -11.012 1.00 0.00 O ATOM 800 CB PHE A 53 2.098 -10.096 -10.184 1.00 0.00 C ATOM 801 CG PHE A 53 1.211 -9.098 -9.504 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.659 -8.396 -8.399 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.070 -8.856 -9.976 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.847 -7.472 -7.773 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.885 -7.933 -9.356 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.427 -7.241 -8.253 1.00 0.00 C ATOM 0 H PHE A 53 1.408 -8.942 -12.265 1.00 0.00 H new ATOM 0 HA PHE A 53 3.708 -8.739 -10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.480 -10.805 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.640 -10.665 -9.428 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.655 -8.573 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.433 -9.396 -10.838 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.207 -6.931 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.881 -7.752 -9.733 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.065 -6.519 -7.765 1.00 0.00 H new ATOM 816 N HIS A 54 3.826 -10.810 -13.012 1.00 0.00 N ATOM 817 CA HIS A 54 4.669 -11.754 -13.751 1.00 0.00 C ATOM 818 C HIS A 54 4.486 -13.172 -13.204 1.00 0.00 C ATOM 819 O HIS A 54 5.264 -14.075 -13.503 1.00 0.00 O ATOM 820 CB HIS A 54 6.139 -11.322 -13.660 1.00 0.00 C ATOM 821 CG HIS A 54 7.009 -11.828 -14.771 1.00 0.00 C ATOM 822 ND1 HIS A 54 7.567 -13.085 -14.786 1.00 0.00 N ATOM 823 CD2 HIS A 54 7.432 -11.217 -15.899 1.00 0.00 C ATOM 824 CE1 HIS A 54 8.296 -13.226 -15.877 1.00 0.00 C ATOM 825 NE2 HIS A 54 8.232 -12.106 -16.572 1.00 0.00 N ATOM 0 H HIS A 54 3.083 -10.395 -13.574 1.00 0.00 H new ATOM 0 HA HIS A 54 4.370 -11.753 -14.799 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.184 -10.233 -13.649 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.547 -11.668 -12.710 1.00 0.00 H new ATOM 0 HD1 HIS A 54 7.438 -13.797 -14.067 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.186 -10.214 -16.213 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.852 -14.110 -16.154 1.00 0.00 H new ATOM 833 N LYS A 55 3.441 -13.349 -12.405 1.00 0.00 N ATOM 834 CA LYS A 55 3.141 -14.620 -11.764 1.00 0.00 C ATOM 835 C LYS A 55 1.750 -14.550 -11.148 1.00 0.00 C ATOM 836 O LYS A 55 1.178 -13.465 -11.035 1.00 0.00 O ATOM 837 CB LYS A 55 4.193 -14.937 -10.693 1.00 0.00 C ATOM 838 CG LYS A 55 4.359 -13.835 -9.662 1.00 0.00 C ATOM 839 CD LYS A 55 5.602 -14.045 -8.813 1.00 0.00 C ATOM 840 CE LYS A 55 5.784 -12.923 -7.803 1.00 0.00 C ATOM 841 NZ LYS A 55 6.002 -11.599 -8.448 1.00 0.00 N ATOM 0 H LYS A 55 2.775 -12.609 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 55 3.165 -15.419 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.916 -15.860 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.152 -15.116 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.421 -12.871 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.480 -13.802 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.530 -14.998 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.479 -14.101 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.904 -12.870 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.633 -13.153 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.785 -10.842 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.994 -11.519 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.380 -11.510 -9.276 1.00 0.00 H new ATOM 855 N HIS A 56 1.206 -15.689 -10.754 1.00 0.00 N ATOM 856 CA HIS A 56 -0.139 -15.728 -10.192 1.00 0.00 C ATOM 857 C HIS A 56 -0.092 -15.483 -8.689 1.00 0.00 C ATOM 858 O HIS A 56 0.340 -16.348 -7.925 1.00 0.00 O ATOM 859 CB HIS A 56 -0.796 -17.079 -10.482 1.00 0.00 C ATOM 860 CG HIS A 56 -2.267 -17.115 -10.200 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.795 -17.467 -8.976 1.00 0.00 N ATOM 862 CD2 HIS A 56 -3.327 -16.856 -10.999 1.00 0.00 C ATOM 863 CE1 HIS A 56 -4.112 -17.422 -9.038 1.00 0.00 C ATOM 864 NE2 HIS A 56 -4.463 -17.054 -10.255 1.00 0.00 N ATOM 0 H HIS A 56 1.670 -16.596 -10.811 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.732 -14.941 -10.658 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.631 -17.334 -11.529 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.303 -17.847 -9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.287 -16.549 -12.034 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.789 -17.649 -8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.420 -16.936 -10.588 1.00 0.00 H new ATOM 872 N VAL A 57 -0.527 -14.304 -8.267 1.00 0.00 N ATOM 873 CA VAL A 57 -0.515 -13.948 -6.853 1.00 0.00 C ATOM 874 C VAL A 57 -1.930 -13.720 -6.332 1.00 0.00 C ATOM 875 O VAL A 57 -2.887 -13.650 -7.108 1.00 0.00 O ATOM 876 CB VAL A 57 0.317 -12.672 -6.589 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.743 -12.843 -7.085 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.340 -11.457 -7.231 1.00 0.00 C ATOM 0 H VAL A 57 -0.893 -13.577 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.058 -14.787 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 57 0.353 -12.508 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.308 -11.932 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.211 -13.680 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.734 -13.040 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.262 -10.570 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.416 -11.611 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.337 -11.319 -6.813 1.00 0.00 H new ATOM 888 N ARG A 58 -2.050 -13.622 -5.017 1.00 0.00 N ATOM 889 CA ARG A 58 -3.303 -13.259 -4.379 1.00 0.00 C ATOM 890 C ARG A 58 -3.127 -11.951 -3.623 1.00 0.00 C ATOM 891 O ARG A 58 -2.198 -11.805 -2.827 1.00 0.00 O ATOM 892 CB ARG A 58 -3.775 -14.353 -3.419 1.00 0.00 C ATOM 893 CG ARG A 58 -5.016 -13.960 -2.633 1.00 0.00 C ATOM 894 CD ARG A 58 -5.426 -15.030 -1.637 1.00 0.00 C ATOM 895 NE ARG A 58 -5.866 -16.258 -2.295 1.00 0.00 N ATOM 896 CZ ARG A 58 -7.081 -16.784 -2.147 1.00 0.00 C ATOM 897 NH1 ARG A 58 -7.994 -16.164 -1.411 1.00 0.00 N ATOM 898 NH2 ARG A 58 -7.385 -17.922 -2.751 1.00 0.00 N ATOM 0 H ARG A 58 -1.284 -13.791 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.061 -13.140 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.983 -15.261 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.970 -14.589 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.828 -13.026 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.838 -13.775 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.586 -15.253 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.230 -14.649 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.204 -16.741 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.767 -15.280 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.923 -16.571 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.690 -18.395 -3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.315 -18.326 -2.639 1.00 0.00 H new ATOM 912 N ILE A 59 -4.014 -11.007 -3.880 1.00 0.00 N ATOM 913 CA ILE A 59 -3.950 -9.702 -3.244 1.00 0.00 C ATOM 914 C ILE A 59 -4.974 -9.612 -2.117 1.00 0.00 C ATOM 915 O ILE A 59 -6.129 -10.012 -2.289 1.00 0.00 O ATOM 916 CB ILE A 59 -4.221 -8.575 -4.265 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.242 -8.674 -5.437 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.119 -7.207 -3.599 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.530 -7.693 -6.552 1.00 0.00 C ATOM 0 H ILE A 59 -4.793 -11.120 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.946 -9.579 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.235 -8.693 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.230 -8.506 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.271 -9.687 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.313 -6.428 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.853 -7.138 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.118 -7.076 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.796 -7.821 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.529 -7.875 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.472 -6.676 -6.165 1.00 0.00 H new ATOM 931 N GLU A 60 -4.542 -9.119 -0.964 1.00 0.00 N ATOM 932 CA GLU A 60 -5.454 -8.867 0.139 1.00 0.00 C ATOM 933 C GLU A 60 -5.701 -7.372 0.279 1.00 0.00 C ATOM 934 O GLU A 60 -6.826 -6.936 0.526 1.00 0.00 O ATOM 935 CB GLU A 60 -4.904 -9.419 1.460 1.00 0.00 C ATOM 936 CG GLU A 60 -5.802 -9.105 2.650 1.00 0.00 C ATOM 937 CD GLU A 60 -5.224 -9.543 3.982 1.00 0.00 C ATOM 938 OE1 GLU A 60 -4.504 -8.745 4.615 1.00 0.00 O ATOM 939 OE2 GLU A 60 -5.517 -10.679 4.412 1.00 0.00 O ATOM 0 H GLU A 60 -3.568 -8.887 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.391 -9.378 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.785 -10.499 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.913 -9.002 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.988 -8.031 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.766 -9.592 2.505 1.00 0.00 H new ATOM 946 N ARG A 61 -4.644 -6.586 0.121 1.00 0.00 N ATOM 947 CA ARG A 61 -4.735 -5.150 0.326 1.00 0.00 C ATOM 948 C ARG A 61 -3.906 -4.386 -0.691 1.00 0.00 C ATOM 949 O ARG A 61 -2.859 -4.851 -1.138 1.00 0.00 O ATOM 950 CB ARG A 61 -4.273 -4.785 1.735 1.00 0.00 C ATOM 951 CG ARG A 61 -5.039 -5.514 2.816 1.00 0.00 C ATOM 952 CD ARG A 61 -4.480 -5.229 4.188 1.00 0.00 C ATOM 953 NE ARG A 61 -5.036 -6.138 5.180 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.907 -5.776 6.115 1.00 0.00 C ATOM 955 NH1 ARG A 61 -6.368 -4.528 6.153 1.00 0.00 N ATOM 956 NH2 ARG A 61 -6.341 -6.670 6.994 1.00 0.00 N ATOM 0 H ARG A 61 -3.718 -6.919 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.780 -4.868 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.212 -5.012 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.384 -3.710 1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.087 -5.217 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.005 -6.587 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.395 -5.326 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.703 -4.200 4.468 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.738 -7.113 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.052 -3.847 5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.037 -4.253 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.006 -7.632 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.010 -6.395 7.713 1.00 0.00 H new ATOM 970 N LEU A 62 -4.398 -3.216 -1.049 1.00 0.00 N ATOM 971 CA LEU A 62 -3.692 -2.311 -1.930 1.00 0.00 C ATOM 972 C LEU A 62 -3.340 -1.045 -1.166 1.00 0.00 C ATOM 973 O LEU A 62 -4.215 -0.238 -0.857 1.00 0.00 O ATOM 974 CB LEU A 62 -4.559 -1.965 -3.145 1.00 0.00 C ATOM 975 CG LEU A 62 -4.955 -3.155 -4.019 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.045 -2.758 -4.996 1.00 0.00 C ATOM 977 CD2 LEU A 62 -3.747 -3.701 -4.768 1.00 0.00 C ATOM 0 H LEU A 62 -5.303 -2.866 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.780 -2.792 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.467 -1.473 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.022 -1.244 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.340 -3.941 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.314 -3.618 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.921 -2.417 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.684 -1.953 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.052 -4.547 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.331 -2.921 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.992 -4.027 -4.052 1.00 0.00 H new ATOM 989 N VAL A 63 -2.072 -0.907 -0.819 1.00 0.00 N ATOM 990 CA VAL A 63 -1.588 0.288 -0.150 1.00 0.00 C ATOM 991 C VAL A 63 -1.114 1.277 -1.200 1.00 0.00 C ATOM 992 O VAL A 63 0.005 1.180 -1.705 1.00 0.00 O ATOM 993 CB VAL A 63 -0.440 -0.022 0.836 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.008 1.242 1.556 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.862 -1.088 1.838 1.00 0.00 C ATOM 0 H VAL A 63 -1.355 -1.612 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.407 0.710 0.433 1.00 0.00 H new ATOM 0 HB VAL A 63 0.404 -0.407 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.817 1.001 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.359 1.972 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.831 1.660 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.038 -1.290 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.725 -0.735 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.126 -2.003 1.307 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.990 2.194 -1.561 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.725 3.106 -2.659 1.00 0.00 C ATOM 1007 C ILE A 64 -1.447 4.514 -2.149 1.00 0.00 C ATOM 1008 O ILE A 64 -2.308 5.146 -1.540 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.909 3.133 -3.653 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.215 1.713 -4.143 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -2.609 4.056 -4.827 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -4.272 1.649 -5.223 1.00 0.00 C ATOM 0 H ILE A 64 -2.894 2.328 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.838 2.743 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.787 3.522 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.296 1.264 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.539 1.109 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.456 4.059 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.436 5.068 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.720 3.703 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.431 0.611 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.205 2.066 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.943 2.224 -6.089 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.231 4.985 -2.386 1.00 0.00 N ATOM 1025 CA GLN A 65 0.157 6.335 -2.011 1.00 0.00 C ATOM 1026 C GLN A 65 0.327 7.190 -3.260 1.00 0.00 C ATOM 1027 O GLN A 65 1.257 6.981 -4.048 1.00 0.00 O ATOM 1028 CB GLN A 65 1.453 6.318 -1.196 1.00 0.00 C ATOM 1029 CG GLN A 65 1.333 5.561 0.115 1.00 0.00 C ATOM 1030 CD GLN A 65 2.583 5.656 0.967 1.00 0.00 C ATOM 1031 OE1 GLN A 65 2.729 6.575 1.768 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.484 4.698 0.818 1.00 0.00 N ATOM 0 H GLN A 65 0.508 4.447 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.629 6.765 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.244 5.868 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.756 7.344 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.485 5.951 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.121 4.513 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.327 3.951 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.335 4.707 1.379 1.00 0.00 H new ATOM 1041 N SER A 66 -0.581 8.138 -3.451 1.00 0.00 N ATOM 1042 CA SER A 66 -0.590 8.953 -4.658 1.00 0.00 C ATOM 1043 C SER A 66 -0.822 10.425 -4.331 1.00 0.00 C ATOM 1044 O SER A 66 -1.182 10.774 -3.207 1.00 0.00 O ATOM 1045 CB SER A 66 -1.682 8.455 -5.608 1.00 0.00 C ATOM 1046 OG SER A 66 -1.548 7.067 -5.850 1.00 0.00 O ATOM 0 H SER A 66 -1.321 8.361 -2.785 1.00 0.00 H new ATOM 0 HA SER A 66 0.385 8.862 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.663 8.660 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.625 8.999 -6.551 1.00 0.00 H new ATOM 0 HG SER A 66 -2.257 6.771 -6.458 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.601 11.283 -5.319 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.864 12.708 -5.179 1.00 0.00 C ATOM 1054 C TYR A 67 -1.565 13.251 -6.418 1.00 0.00 C ATOM 1055 O TYR A 67 -1.303 12.797 -7.533 1.00 0.00 O ATOM 1056 CB TYR A 67 0.435 13.486 -4.945 1.00 0.00 C ATOM 1057 CG TYR A 67 0.895 13.518 -3.504 1.00 0.00 C ATOM 1058 CD1 TYR A 67 0.195 14.249 -2.552 1.00 0.00 C ATOM 1059 CD2 TYR A 67 2.036 12.836 -3.099 1.00 0.00 C ATOM 1060 CE1 TYR A 67 0.617 14.298 -1.238 1.00 0.00 C ATOM 1061 CE2 TYR A 67 2.466 12.884 -1.787 1.00 0.00 C ATOM 1062 CZ TYR A 67 1.751 13.616 -0.860 1.00 0.00 C ATOM 1063 OH TYR A 67 2.179 13.671 0.446 1.00 0.00 O ATOM 0 H TYR A 67 -0.237 11.013 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.514 12.839 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.223 13.045 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.298 14.510 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.694 14.788 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.595 12.260 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.060 14.869 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.357 12.352 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 67 1.569 14.234 0.967 1.00 0.00 H new ATOM 1073 N PHE A 68 -2.474 14.208 -6.197 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.166 14.946 -7.269 1.00 0.00 C ATOM 1075 C PHE A 68 -4.253 14.119 -7.958 1.00 0.00 C ATOM 1076 O PHE A 68 -5.181 14.685 -8.539 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.177 15.477 -8.316 1.00 0.00 C ATOM 1078 CG PHE A 68 -1.174 16.453 -7.769 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -1.568 17.719 -7.370 1.00 0.00 C ATOM 1080 CD2 PHE A 68 0.161 16.103 -7.654 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -0.647 18.620 -6.867 1.00 0.00 C ATOM 1082 CE2 PHE A 68 1.085 16.998 -7.151 1.00 0.00 C ATOM 1083 CZ PHE A 68 0.680 18.259 -6.757 1.00 0.00 C ATOM 0 H PHE A 68 -2.755 14.497 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.654 15.788 -6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.645 14.635 -8.759 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.736 15.958 -9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.606 18.006 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.483 15.119 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.966 19.605 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.123 16.712 -7.066 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.401 18.961 -6.364 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.138 12.797 -7.889 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.085 11.892 -8.542 1.00 0.00 C ATOM 1095 C VAL A 69 -6.524 12.179 -8.112 1.00 0.00 C ATOM 1096 O VAL A 69 -6.796 12.401 -6.932 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.749 10.415 -8.233 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.705 9.472 -8.954 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.308 10.104 -8.606 1.00 0.00 C ATOM 0 H VAL A 69 -3.391 12.322 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.996 12.065 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.869 10.261 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.445 8.440 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.726 9.672 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.628 9.629 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.091 9.060 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.161 10.284 -9.671 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.638 10.745 -8.034 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.432 12.190 -9.082 1.00 0.00 N ATOM 1110 CA GLN A 70 -8.847 12.416 -8.812 1.00 0.00 C ATOM 1111 C GLN A 70 -9.662 11.172 -9.152 1.00 0.00 C ATOM 1112 O GLN A 70 -10.451 10.695 -8.342 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.354 13.617 -9.616 1.00 0.00 C ATOM 1114 CG GLN A 70 -10.845 13.885 -9.460 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.309 15.105 -10.237 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.257 15.781 -9.844 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -10.646 15.396 -11.347 1.00 0.00 N ATOM 0 H GLN A 70 -7.211 12.044 -10.067 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.967 12.628 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.802 14.505 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.134 13.454 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.404 13.012 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.076 14.023 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.864 14.812 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.918 16.204 -11.906 1.00 0.00 H new ATOM 1126 N THR A 71 -9.467 10.644 -10.351 1.00 0.00 N ATOM 1127 CA THR A 71 -10.204 9.469 -10.788 1.00 0.00 C ATOM 1128 C THR A 71 -9.250 8.322 -11.116 1.00 0.00 C ATOM 1129 O THR A 71 -8.468 8.415 -12.062 1.00 0.00 O ATOM 1130 CB THR A 71 -11.059 9.793 -12.027 1.00 0.00 C ATOM 1131 OG1 THR A 71 -11.728 11.047 -11.839 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.090 8.704 -12.277 1.00 0.00 C ATOM 0 H THR A 71 -8.806 11.010 -11.037 1.00 0.00 H new ATOM 0 HA THR A 71 -10.859 9.165 -9.971 1.00 0.00 H new ATOM 0 HB THR A 71 -10.398 9.851 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.270 11.251 -12.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.681 8.957 -13.157 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.583 7.753 -12.441 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.747 8.619 -11.411 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.314 7.255 -10.332 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.448 6.104 -10.535 1.00 0.00 C ATOM 1142 C LEU A 72 -9.265 4.833 -10.745 1.00 0.00 C ATOM 1143 O LEU A 72 -9.870 4.307 -9.816 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.500 5.938 -9.342 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.643 4.670 -9.356 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.866 4.561 -10.657 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.693 4.665 -8.170 1.00 0.00 C ATOM 0 H LEU A 72 -9.959 7.163 -9.547 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.857 6.277 -11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.838 6.803 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.091 5.947 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.304 3.807 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.263 3.653 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.562 4.524 -11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.214 5.428 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.089 3.758 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.041 5.537 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.267 4.697 -7.244 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.278 4.351 -11.973 1.00 0.00 N ATOM 1160 CA LYS A 73 -10.008 3.145 -12.320 1.00 0.00 C ATOM 1161 C LYS A 73 -9.040 1.968 -12.423 1.00 0.00 C ATOM 1162 O LYS A 73 -8.217 1.904 -13.336 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.747 3.358 -13.643 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.833 2.335 -13.927 1.00 0.00 C ATOM 1165 CD LYS A 73 -12.564 2.668 -15.219 1.00 0.00 C ATOM 1166 CE LYS A 73 -13.795 1.799 -15.422 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.460 0.354 -15.481 1.00 0.00 N ATOM 0 H LYS A 73 -8.785 4.781 -12.756 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.740 2.922 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.193 4.352 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.023 3.336 -14.457 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.392 1.341 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.541 2.311 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.860 3.717 -15.207 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.886 2.537 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.499 1.974 -14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.296 2.092 -16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.305 -0.187 -15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.708 0.200 -16.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.132 0.035 -14.547 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.117 1.060 -11.461 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.217 -0.084 -11.409 1.00 0.00 C ATOM 1183 C ILE A 74 -8.854 -1.309 -12.057 1.00 0.00 C ATOM 1184 O ILE A 74 -9.824 -1.867 -11.534 1.00 0.00 O ATOM 1185 CB ILE A 74 -7.833 -0.431 -9.953 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.273 0.803 -9.240 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -6.818 -1.569 -9.927 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.037 0.596 -7.759 1.00 0.00 C ATOM 0 H ILE A 74 -9.797 1.094 -10.702 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.318 0.193 -11.959 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.730 -0.757 -9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.333 1.089 -9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.964 1.635 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.558 -1.801 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.249 -2.452 -10.400 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.921 -1.269 -10.468 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.640 1.512 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.978 0.340 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.322 -0.214 -7.614 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.304 -1.717 -13.190 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.783 -2.895 -13.899 1.00 0.00 C ATOM 1202 C GLU A 75 -7.891 -4.103 -13.622 1.00 0.00 C ATOM 1203 O GLU A 75 -6.694 -3.960 -13.358 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.838 -2.625 -15.403 1.00 0.00 C ATOM 1205 CG GLU A 75 -10.248 -2.495 -15.956 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.978 -1.262 -15.465 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -11.577 -1.309 -14.368 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.993 -0.249 -16.196 1.00 0.00 O ATOM 0 H GLU A 75 -7.520 -1.246 -13.641 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.787 -3.118 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.288 -1.708 -15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.327 -3.433 -15.926 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.202 -2.471 -17.045 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.821 -3.381 -15.681 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.480 -5.289 -13.697 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.770 -6.537 -13.437 1.00 0.00 C ATOM 1217 C LYS A 76 -7.744 -7.413 -14.686 1.00 0.00 C ATOM 1218 O LYS A 76 -8.658 -7.360 -15.505 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.460 -7.314 -12.309 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.929 -7.592 -12.601 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.513 -8.680 -11.713 1.00 0.00 C ATOM 1222 CE LYS A 76 -10.412 -8.331 -10.241 1.00 0.00 C ATOM 1223 NZ LYS A 76 -11.331 -9.155 -9.416 1.00 0.00 N ATOM 0 H LYS A 76 -9.463 -5.414 -13.940 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.750 -6.287 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.940 -8.259 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.379 -6.748 -11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.501 -6.674 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.038 -7.885 -13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.559 -8.840 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.991 -9.618 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.387 -8.479 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.645 -7.275 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.234 -8.888 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.312 -8.995 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.093 -10.161 -9.530 1.00 0.00 H new ATOM 1237 N SER A 77 -6.697 -8.203 -14.834 1.00 0.00 N ATOM 1238 CA SER A 77 -6.654 -9.222 -15.872 1.00 0.00 C ATOM 1239 C SER A 77 -5.941 -10.460 -15.338 1.00 0.00 C ATOM 1240 O SER A 77 -5.001 -10.347 -14.545 1.00 0.00 O ATOM 1241 CB SER A 77 -5.953 -8.694 -17.126 1.00 0.00 C ATOM 1242 OG SER A 77 -6.158 -9.561 -18.230 1.00 0.00 O ATOM 0 H SER A 77 -5.863 -8.160 -14.249 1.00 0.00 H new ATOM 0 HA SER A 77 -7.674 -9.488 -16.150 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.330 -7.700 -17.366 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.885 -8.592 -16.933 1.00 0.00 H new ATOM 0 HG SER A 77 -6.920 -9.243 -18.758 1.00 0.00 H new ATOM 1248 N THR A 78 -6.400 -11.634 -15.748 1.00 0.00 N ATOM 1249 CA THR A 78 -5.817 -12.882 -15.279 1.00 0.00 C ATOM 1250 C THR A 78 -5.117 -13.630 -16.410 1.00 0.00 C ATOM 1251 O THR A 78 -4.678 -14.768 -16.241 1.00 0.00 O ATOM 1252 CB THR A 78 -6.886 -13.794 -14.649 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.994 -13.950 -15.549 1.00 0.00 O ATOM 1254 CG2 THR A 78 -7.382 -13.218 -13.332 1.00 0.00 C ATOM 0 H THR A 78 -7.173 -11.748 -16.403 1.00 0.00 H new ATOM 0 HA THR A 78 -5.079 -12.621 -14.520 1.00 0.00 H new ATOM 0 HB THR A 78 -6.431 -14.766 -14.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.668 -14.533 -15.141 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.136 -13.880 -12.906 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.547 -13.126 -12.638 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.819 -12.235 -13.506 1.00 0.00 H new ATOM 1262 N SER A 79 -5.005 -12.982 -17.560 1.00 0.00 N ATOM 1263 CA SER A 79 -4.354 -13.586 -18.711 1.00 0.00 C ATOM 1264 C SER A 79 -2.871 -13.233 -18.736 1.00 0.00 C ATOM 1265 O SER A 79 -2.380 -12.514 -17.864 1.00 0.00 O ATOM 1266 CB SER A 79 -5.035 -13.122 -20.000 1.00 0.00 C ATOM 1267 OG SER A 79 -6.389 -13.540 -20.034 1.00 0.00 O ATOM 0 H SER A 79 -5.357 -12.038 -17.720 1.00 0.00 H new ATOM 0 HA SER A 79 -4.445 -14.669 -18.634 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.983 -12.036 -20.073 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.504 -13.525 -20.862 1.00 0.00 H new ATOM 0 HG SER A 79 -6.806 -13.231 -20.866 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.156 -13.743 -19.730 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.739 -13.442 -19.878 1.00 0.00 C ATOM 1275 C LYS A 80 -0.556 -12.427 -21.004 1.00 0.00 C ATOM 1276 O LYS A 80 0.558 -12.136 -21.444 1.00 0.00 O ATOM 1277 CB LYS A 80 0.049 -14.726 -20.165 1.00 0.00 C ATOM 1278 CG LYS A 80 1.550 -14.563 -20.010 1.00 0.00 C ATOM 1279 CD LYS A 80 2.293 -15.846 -20.326 1.00 0.00 C ATOM 1280 CE LYS A 80 3.794 -15.654 -20.187 1.00 0.00 C ATOM 1281 NZ LYS A 80 4.308 -14.625 -21.131 1.00 0.00 N ATOM 0 H LYS A 80 -2.533 -14.366 -20.444 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.357 -13.015 -18.951 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.294 -15.512 -19.492 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.170 -15.058 -21.180 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.899 -13.769 -20.670 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.778 -14.253 -18.990 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.960 -16.638 -19.655 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.056 -16.167 -21.340 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.030 -15.360 -19.164 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.300 -16.602 -20.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.344 -14.697 -21.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.893 -14.779 -22.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.047 -13.678 -20.788 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.679 -11.895 -21.458 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.703 -10.909 -22.523 1.00 0.00 C ATOM 1297 C GLU A 81 -2.319 -9.614 -22.006 1.00 0.00 C ATOM 1298 O GLU A 81 -3.290 -9.653 -21.248 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.517 -11.447 -23.700 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.961 -12.735 -24.284 1.00 0.00 C ATOM 1301 CD GLU A 81 -2.969 -13.469 -25.140 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -3.067 -13.174 -26.350 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -3.665 -14.355 -24.606 1.00 0.00 O ATOM 0 H GLU A 81 -2.602 -12.136 -21.096 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.685 -10.708 -22.858 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.543 -11.619 -23.374 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.554 -10.689 -24.482 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.079 -12.507 -24.883 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.636 -13.387 -23.473 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.767 -8.454 -22.396 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.278 -7.142 -21.980 1.00 0.00 C ATOM 1312 C PRO A 82 -3.573 -6.762 -22.703 1.00 0.00 C ATOM 1313 O PRO A 82 -3.726 -5.632 -23.167 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.150 -6.169 -22.369 1.00 0.00 C ATOM 1315 CG PRO A 82 0.004 -7.026 -22.776 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.586 -8.317 -23.253 1.00 0.00 C ATOM 0 HA PRO A 82 -2.525 -7.128 -20.919 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.460 -5.517 -23.186 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.883 -5.525 -21.531 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.585 -6.548 -23.565 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.680 -7.193 -21.938 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.852 -8.277 -24.309 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.105 -9.151 -23.130 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.507 -7.703 -22.778 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.766 -7.482 -23.472 1.00 0.00 C ATOM 1326 C VAL A 83 -6.947 -7.902 -22.601 1.00 0.00 C ATOM 1327 O VAL A 83 -6.853 -8.872 -21.845 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.832 -8.254 -24.815 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.771 -7.755 -25.783 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.681 -9.752 -24.592 1.00 0.00 C ATOM 0 H VAL A 83 -4.413 -8.630 -22.364 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.823 -6.414 -23.682 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.812 -8.069 -25.254 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.839 -8.313 -26.717 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.929 -6.695 -25.981 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.783 -7.899 -25.346 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.731 -10.269 -25.550 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.720 -9.954 -24.120 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.484 -10.106 -23.946 1.00 0.00 H new ATOM 1340 N ASP A 84 -8.039 -7.146 -22.703 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.300 -7.471 -22.029 1.00 0.00 C ATOM 1342 C ASP A 84 -9.158 -7.440 -20.509 1.00 0.00 C ATOM 1343 O ASP A 84 -8.690 -8.395 -19.884 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.827 -8.834 -22.489 1.00 0.00 C ATOM 1345 CG ASP A 84 -11.165 -9.189 -21.869 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -12.189 -8.594 -22.269 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -11.205 -10.092 -21.006 1.00 0.00 O ATOM 0 H ASP A 84 -8.077 -6.289 -23.255 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.022 -6.703 -22.308 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.924 -8.833 -23.575 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.099 -9.604 -22.235 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.551 -6.320 -19.926 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.495 -6.140 -18.484 1.00 0.00 C ATOM 1354 C PHE A 85 -10.900 -6.042 -17.895 1.00 0.00 C ATOM 1355 O PHE A 85 -11.815 -5.508 -18.524 1.00 0.00 O ATOM 1356 CB PHE A 85 -8.695 -4.881 -18.136 1.00 0.00 C ATOM 1357 CG PHE A 85 -7.226 -4.974 -18.454 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -6.764 -4.792 -19.749 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.305 -5.236 -17.451 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -5.415 -4.875 -20.037 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -4.954 -5.317 -17.734 1.00 0.00 C ATOM 1362 CZ PHE A 85 -4.509 -5.137 -19.029 1.00 0.00 C ATOM 0 H PHE A 85 -9.916 -5.514 -20.434 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.998 -7.009 -18.053 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.119 -4.034 -18.676 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.812 -4.672 -17.073 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.467 -4.583 -20.542 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.647 -5.379 -16.437 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.070 -4.735 -21.051 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.247 -5.521 -16.943 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.454 -5.201 -19.253 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.060 -6.571 -16.694 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.326 -6.516 -15.977 1.00 0.00 C ATOM 1374 C GLU A 86 -12.260 -5.435 -14.902 1.00 0.00 C ATOM 1375 O GLU A 86 -11.210 -5.231 -14.295 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.623 -7.881 -15.340 1.00 0.00 C ATOM 1377 CG GLU A 86 -13.876 -7.909 -14.478 1.00 0.00 C ATOM 1378 CD GLU A 86 -15.144 -7.678 -15.272 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -15.438 -6.512 -15.609 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -15.859 -8.662 -15.551 1.00 0.00 O ATOM 0 H GLU A 86 -10.317 -7.051 -16.187 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.127 -6.273 -16.675 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.723 -8.624 -16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.770 -8.178 -14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.941 -8.872 -13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.795 -7.147 -13.703 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.372 -4.751 -14.666 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.411 -3.688 -13.669 1.00 0.00 C ATOM 1389 C GLN A 87 -13.251 -4.257 -12.262 1.00 0.00 C ATOM 1390 O GLN A 87 -13.906 -5.242 -11.896 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.718 -2.891 -13.770 1.00 0.00 C ATOM 1392 CG GLN A 87 -15.969 -3.749 -13.678 1.00 0.00 C ATOM 1393 CD GLN A 87 -17.237 -2.927 -13.581 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -17.240 -1.825 -13.031 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -18.324 -3.457 -14.116 1.00 0.00 N ATOM 0 H GLN A 87 -14.256 -4.912 -15.149 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.578 -3.014 -13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.741 -2.146 -12.975 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.730 -2.349 -14.715 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.026 -4.395 -14.554 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.895 -4.399 -12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.278 -4.373 -14.562 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.208 -2.950 -14.082 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.365 -3.658 -11.482 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.153 -4.095 -10.112 1.00 0.00 C ATOM 1406 C TRP A 88 -12.478 -2.968 -9.137 1.00 0.00 C ATOM 1407 O TRP A 88 -13.511 -2.997 -8.466 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.709 -4.578 -9.918 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.479 -5.301 -8.618 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.426 -5.880 -7.820 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.218 -5.536 -7.975 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.833 -6.458 -6.724 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.480 -6.260 -6.795 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -7.892 -5.207 -8.279 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.469 -6.656 -5.924 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -6.891 -5.602 -7.410 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.185 -6.322 -6.247 1.00 0.00 C ATOM 0 H TRP A 88 -11.784 -2.872 -11.773 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.823 -4.930 -9.908 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.443 -5.239 -10.743 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.039 -3.720 -9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.487 -5.883 -8.022 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.321 -6.954 -5.978 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.655 -4.655 -9.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.693 -7.209 -5.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.865 -5.350 -7.633 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.380 -6.620 -5.591 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.612 -1.964 -9.081 1.00 0.00 N ATOM 1429 CA ILE A 89 -11.765 -0.886 -8.114 1.00 0.00 C ATOM 1430 C ILE A 89 -11.693 0.477 -8.788 1.00 0.00 C ATOM 1431 O ILE A 89 -10.612 0.968 -9.104 1.00 0.00 O ATOM 1432 CB ILE A 89 -10.686 -0.955 -7.009 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.708 -2.323 -6.324 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -10.899 0.154 -5.984 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.608 -2.501 -5.302 1.00 0.00 C ATOM 0 H ILE A 89 -10.800 -1.874 -9.691 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.748 -1.014 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.710 -0.815 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.673 -2.461 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.619 -3.102 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.130 0.090 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.837 1.123 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.882 0.042 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.683 -3.493 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.638 -2.395 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.708 -1.744 -4.524 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.844 1.076 -9.015 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.905 2.427 -9.539 1.00 0.00 C ATOM 1449 C GLU A 90 -13.063 3.401 -8.380 1.00 0.00 C ATOM 1450 O GLU A 90 -14.154 3.556 -7.830 1.00 0.00 O ATOM 1451 CB GLU A 90 -14.067 2.566 -10.520 1.00 0.00 C ATOM 1452 CG GLU A 90 -14.121 3.912 -11.220 1.00 0.00 C ATOM 1453 CD GLU A 90 -15.364 4.064 -12.068 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.349 3.647 -13.243 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -16.373 4.588 -11.551 1.00 0.00 O ATOM 0 H GLU A 90 -13.754 0.647 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.984 2.652 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.992 1.779 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.003 2.408 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.091 4.708 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.238 4.029 -11.848 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.969 4.035 -7.995 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.960 4.880 -6.813 1.00 0.00 C ATOM 1464 C LYS A 91 -11.709 6.338 -7.176 1.00 0.00 C ATOM 1465 O LYS A 91 -10.905 6.647 -8.056 1.00 0.00 O ATOM 1466 CB LYS A 91 -10.894 4.391 -5.826 1.00 0.00 C ATOM 1467 CG LYS A 91 -10.725 5.283 -4.604 1.00 0.00 C ATOM 1468 CD LYS A 91 -9.680 4.734 -3.648 1.00 0.00 C ATOM 1469 CE LYS A 91 -10.159 3.465 -2.960 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.316 3.724 -2.063 1.00 0.00 N ATOM 0 H LYS A 91 -11.075 3.981 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.942 4.815 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.154 3.385 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.938 4.319 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.437 6.285 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.680 5.375 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.760 4.527 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.442 5.487 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.441 2.728 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.341 3.034 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.442 2.918 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.140 4.587 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.177 3.848 -2.634 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.415 7.225 -6.494 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.194 8.654 -6.636 1.00 0.00 C ATOM 1486 C ASP A 92 -11.423 9.172 -5.431 1.00 0.00 C ATOM 1487 O ASP A 92 -11.719 8.815 -4.288 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.522 9.408 -6.792 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.444 9.246 -5.601 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -15.038 8.156 -5.443 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.604 10.214 -4.829 1.00 0.00 O ATOM 0 H ASP A 92 -13.151 6.978 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.609 8.828 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.315 10.468 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.031 9.053 -7.688 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.419 9.988 -5.690 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.552 10.494 -4.639 1.00 0.00 C ATOM 1498 C LEU A 93 -9.707 12.004 -4.511 1.00 0.00 C ATOM 1499 O LEU A 93 -10.378 12.637 -5.326 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.078 10.144 -4.912 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.717 8.651 -4.886 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -8.189 7.944 -6.150 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.216 8.471 -4.709 1.00 0.00 C ATOM 0 H LEU A 93 -10.181 10.317 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.849 10.018 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.806 10.545 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.462 10.658 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.230 8.198 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.918 6.889 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.272 8.037 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.716 8.399 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.976 7.408 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.692 8.948 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.903 8.928 -3.770 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.089 12.572 -3.487 1.00 0.00 N ATOM 1516 CA VAL A 94 -9.145 14.009 -3.254 1.00 0.00 C ATOM 1517 C VAL A 94 -7.733 14.563 -3.104 1.00 0.00 C ATOM 1518 O VAL A 94 -6.857 13.897 -2.554 1.00 0.00 O ATOM 1519 CB VAL A 94 -9.968 14.354 -1.990 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -10.071 15.861 -1.797 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -11.354 13.732 -2.064 1.00 0.00 C ATOM 0 H VAL A 94 -8.539 12.057 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.638 14.464 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.447 13.937 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.655 16.074 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.072 16.283 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.560 16.306 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.916 13.987 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.878 14.114 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.263 12.648 -2.140 1.00 0.00 H new ATOM 1531 N HIS A 95 -7.513 15.769 -3.612 1.00 0.00 N ATOM 1532 CA HIS A 95 -6.217 16.419 -3.490 1.00 0.00 C ATOM 1533 C HIS A 95 -5.973 16.854 -2.050 1.00 0.00 C ATOM 1534 O HIS A 95 -6.547 17.834 -1.577 1.00 0.00 O ATOM 1535 CB HIS A 95 -6.121 17.630 -4.430 1.00 0.00 C ATOM 1536 CG HIS A 95 -4.798 18.345 -4.382 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -4.588 19.573 -4.967 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -3.612 17.991 -3.829 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -3.335 19.945 -4.775 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -2.722 19.001 -4.087 1.00 0.00 N ATOM 0 H HIS A 95 -8.215 16.315 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.450 15.699 -3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.305 17.298 -5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.912 18.336 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.406 17.081 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.889 20.865 -5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.745 19.020 -3.795 1.00 0.00 H new ATOM 1548 N THR A 96 -5.134 16.107 -1.360 1.00 0.00 N ATOM 1549 CA THR A 96 -4.738 16.450 -0.012 1.00 0.00 C ATOM 1550 C THR A 96 -3.263 16.831 0.028 1.00 0.00 C ATOM 1551 O THR A 96 -2.400 16.059 -0.392 1.00 0.00 O ATOM 1552 CB THR A 96 -5.004 15.275 0.947 1.00 0.00 C ATOM 1553 OG1 THR A 96 -4.432 14.071 0.417 1.00 0.00 O ATOM 1554 CG2 THR A 96 -6.497 15.080 1.153 1.00 0.00 C ATOM 0 H THR A 96 -4.711 15.250 -1.717 1.00 0.00 H new ATOM 0 HA THR A 96 -5.332 17.305 0.311 1.00 0.00 H new ATOM 0 HB THR A 96 -4.543 15.504 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.564 13.907 0.841 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.664 14.245 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.927 15.987 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.972 14.868 0.195 1.00 0.00 H new ATOM 1562 N GLU A 97 -2.983 18.039 0.489 1.00 0.00 N ATOM 1563 CA GLU A 97 -1.612 18.485 0.674 1.00 0.00 C ATOM 1564 C GLU A 97 -1.263 18.436 2.153 1.00 0.00 C ATOM 1565 O GLU A 97 -2.100 18.738 3.005 1.00 0.00 O ATOM 1566 CB GLU A 97 -1.419 19.894 0.119 1.00 0.00 C ATOM 1567 CG GLU A 97 -2.410 20.908 0.661 1.00 0.00 C ATOM 1568 CD GLU A 97 -2.112 22.308 0.182 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -2.457 22.629 -0.974 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -1.519 23.089 0.959 1.00 0.00 O ATOM 0 H GLU A 97 -3.689 18.730 0.743 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.944 17.821 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.408 20.230 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.504 19.861 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.418 20.628 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.390 20.887 1.751 1.00 0.00 H new ATOM 1577 N GLY A 98 -0.041 18.027 2.462 1.00 0.00 N ATOM 1578 CA GLY A 98 0.334 17.820 3.846 1.00 0.00 C ATOM 1579 C GLY A 98 -0.131 16.465 4.339 1.00 0.00 C ATOM 1580 O GLY A 98 0.576 15.772 5.072 1.00 0.00 O ATOM 0 H GLY A 98 0.695 17.835 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.417 17.896 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.100 18.605 4.465 1.00 0.00 H new ATOM 1584 N GLN A 99 -1.336 16.093 3.937 1.00 0.00 N ATOM 1585 CA GLN A 99 -1.861 14.771 4.202 1.00 0.00 C ATOM 1586 C GLN A 99 -1.547 13.861 3.026 1.00 0.00 C ATOM 1587 O GLN A 99 -2.092 14.040 1.936 1.00 0.00 O ATOM 1588 CB GLN A 99 -3.375 14.824 4.427 1.00 0.00 C ATOM 1589 CG GLN A 99 -3.798 15.765 5.542 1.00 0.00 C ATOM 1590 CD GLN A 99 -5.298 15.765 5.761 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -5.971 14.762 5.530 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -5.833 16.890 6.207 1.00 0.00 N ATOM 0 H GLN A 99 -1.973 16.700 3.420 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.393 14.381 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.860 15.133 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.734 13.821 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.299 15.476 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.468 16.776 5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.240 17.700 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.838 16.947 6.371 1.00 0.00 H new ATOM 1601 N LEU A 100 -0.661 12.904 3.240 1.00 0.00 N ATOM 1602 CA LEU A 100 -0.287 11.970 2.191 1.00 0.00 C ATOM 1603 C LEU A 100 -1.467 11.053 1.903 1.00 0.00 C ATOM 1604 O LEU A 100 -1.953 10.367 2.805 1.00 0.00 O ATOM 1605 CB LEU A 100 0.935 11.146 2.628 1.00 0.00 C ATOM 1606 CG LEU A 100 1.872 10.672 1.505 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.040 9.895 2.089 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.137 9.821 0.480 1.00 0.00 C ATOM 0 H LEU A 100 -0.187 12.753 4.130 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.024 12.519 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.517 11.743 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.581 10.270 3.171 1.00 0.00 H new ATOM 0 HG LEU A 100 2.248 11.557 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.696 9.565 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.598 10.535 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.665 9.027 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.833 9.505 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.718 8.942 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.333 10.405 0.032 1.00 0.00 H new ATOM 1620 N GLN A 101 -1.944 11.063 0.666 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.046 10.200 0.284 1.00 0.00 C ATOM 1622 C GLN A 101 -2.564 8.756 0.276 1.00 0.00 C ATOM 1623 O GLN A 101 -1.922 8.301 -0.672 1.00 0.00 O ATOM 1624 CB GLN A 101 -3.608 10.597 -1.086 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.121 10.441 -1.191 1.00 0.00 C ATOM 1626 CD GLN A 101 -5.589 9.008 -1.027 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -4.909 8.069 -1.431 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -6.749 8.833 -0.412 1.00 0.00 N ATOM 0 H GLN A 101 -1.586 11.656 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.854 10.308 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.342 11.634 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -3.134 9.987 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.597 11.061 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.452 10.815 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.283 9.641 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.108 7.891 -0.259 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.842 8.067 1.369 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.414 6.694 1.555 1.00 0.00 C ATOM 1639 C ASN A 102 -3.634 5.808 1.744 1.00 0.00 C ATOM 1640 O ASN A 102 -4.239 5.787 2.819 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.481 6.611 2.774 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.816 5.253 2.961 1.00 0.00 C ATOM 1643 OD1 ASN A 102 -1.375 4.206 2.633 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.394 5.269 3.502 1.00 0.00 N ATOM 0 H ASN A 102 -3.372 8.446 2.154 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.868 6.349 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.707 7.372 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.052 6.850 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.894 4.394 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.825 6.156 3.761 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.997 5.087 0.696 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.177 4.241 0.723 1.00 0.00 C ATOM 1653 C GLU A 103 -4.819 2.828 1.151 1.00 0.00 C ATOM 1654 O GLU A 103 -3.990 2.173 0.529 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.841 4.192 -0.657 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.679 5.414 -0.991 1.00 0.00 C ATOM 1657 CD GLU A 103 -7.912 5.533 -0.117 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.817 4.678 -0.233 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -7.998 6.492 0.672 1.00 0.00 O ATOM 0 H GLU A 103 -3.488 5.071 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.873 4.670 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.067 4.078 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.474 3.306 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.069 6.310 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.983 5.367 -2.037 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.433 2.387 2.235 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.325 1.007 2.671 1.00 0.00 C ATOM 1668 C GLU A 104 -6.581 0.277 2.211 1.00 0.00 C ATOM 1669 O GLU A 104 -7.601 0.260 2.899 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.149 0.944 4.194 1.00 0.00 C ATOM 1671 CG GLU A 104 -4.747 -0.422 4.738 1.00 0.00 C ATOM 1672 CD GLU A 104 -5.931 -1.328 5.012 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -6.803 -0.943 5.823 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -5.987 -2.435 4.441 1.00 0.00 O ATOM 0 H GLU A 104 -6.017 2.971 2.834 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.449 0.526 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.394 1.673 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.084 1.246 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.083 -0.909 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.181 -0.287 5.659 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.514 -0.268 1.011 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.680 -0.843 0.366 1.00 0.00 C ATOM 1683 C ILE A 105 -7.754 -2.341 0.613 1.00 0.00 C ATOM 1684 O ILE A 105 -6.934 -3.096 0.103 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.647 -0.582 -1.158 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.468 0.911 -1.439 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.918 -1.096 -1.819 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.276 1.235 -2.906 1.00 0.00 C ATOM 0 H ILE A 105 -5.658 -0.325 0.460 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.561 -0.366 0.796 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.798 -1.121 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.341 1.449 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.607 1.276 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.875 -0.903 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.009 -2.169 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.782 -0.586 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.156 2.311 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.387 0.726 -3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.147 0.901 -3.469 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.720 -2.771 1.409 1.00 0.00 N ATOM 1701 CA VAL A 106 -8.941 -4.194 1.611 1.00 0.00 C ATOM 1702 C VAL A 106 -9.605 -4.794 0.364 1.00 0.00 C ATOM 1703 O VAL A 106 -10.831 -4.847 0.236 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.762 -4.478 2.897 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -11.068 -3.693 2.919 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -10.022 -5.971 3.056 1.00 0.00 C ATOM 0 H VAL A 106 -9.358 -2.162 1.921 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.975 -4.677 1.757 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.166 -4.141 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.613 -3.920 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.852 -2.625 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.675 -3.972 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.599 -6.145 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.582 -6.337 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.072 -6.501 3.123 1.00 0.00 H new ATOM 1716 N ALA A 107 -8.767 -5.215 -0.570 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.222 -5.670 -1.871 1.00 0.00 C ATOM 1718 C ALA A 107 -8.737 -7.081 -2.146 1.00 0.00 C ATOM 1719 O ALA A 107 -7.539 -7.316 -2.288 1.00 0.00 O ATOM 1720 CB ALA A 107 -8.730 -4.725 -2.952 1.00 0.00 C ATOM 0 H ALA A 107 -7.755 -5.250 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.312 -5.677 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.076 -5.074 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.120 -3.724 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.640 -4.697 -2.943 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.667 -8.015 -2.230 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.317 -9.408 -2.439 1.00 0.00 C ATOM 1728 C HIS A 108 -9.473 -9.782 -3.901 1.00 0.00 C ATOM 1729 O HIS A 108 -10.549 -9.630 -4.481 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.181 -10.328 -1.577 1.00 0.00 C ATOM 1731 CG HIS A 108 -9.982 -10.143 -0.105 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -10.979 -9.708 0.736 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -8.899 -10.355 0.678 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -10.521 -9.659 1.970 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.261 -10.047 1.965 1.00 0.00 N ATOM 0 H HIS A 108 -10.668 -7.835 -2.157 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.275 -9.536 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.230 -10.155 -1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -9.962 -11.364 -1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -11.926 -9.462 0.449 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -7.930 -10.702 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -11.083 -9.352 2.840 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.393 -10.252 -4.498 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.440 -10.666 -5.878 1.00 0.00 C ATOM 1745 C GLY A 109 -7.216 -11.451 -6.287 1.00 0.00 C ATOM 1746 O GLY A 109 -6.229 -11.516 -5.552 1.00 0.00 O ATOM 0 H GLY A 109 -7.483 -10.354 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.330 -11.274 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.534 -9.787 -6.515 1.00 0.00 H new ATOM 1750 N SER A 110 -7.287 -12.056 -7.456 1.00 0.00 N ATOM 1751 CA SER A 110 -6.164 -12.771 -8.031 1.00 0.00 C ATOM 1752 C SER A 110 -5.983 -12.327 -9.473 1.00 0.00 C ATOM 1753 O SER A 110 -6.858 -12.553 -10.308 1.00 0.00 O ATOM 1754 CB SER A 110 -6.405 -14.280 -7.965 1.00 0.00 C ATOM 1755 OG SER A 110 -6.689 -14.690 -6.637 1.00 0.00 O ATOM 0 H SER A 110 -8.126 -12.066 -8.035 1.00 0.00 H new ATOM 0 HA SER A 110 -5.260 -12.547 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.235 -14.549 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.526 -14.809 -8.333 1.00 0.00 H new ATOM 0 HG SER A 110 -6.841 -15.658 -6.619 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.872 -11.669 -9.757 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.638 -11.128 -11.082 1.00 0.00 C ATOM 1763 C ALA A 111 -3.170 -11.228 -11.461 1.00 0.00 C ATOM 1764 O ALA A 111 -2.306 -11.411 -10.602 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.105 -9.681 -11.153 1.00 0.00 C ATOM 0 H ALA A 111 -4.121 -11.498 -9.089 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.213 -11.719 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.923 -9.289 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.171 -9.632 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.556 -9.085 -10.424 1.00 0.00 H new ATOM 1771 N THR A 112 -2.906 -11.127 -12.749 1.00 0.00 N ATOM 1772 CA THR A 112 -1.553 -11.129 -13.263 1.00 0.00 C ATOM 1773 C THR A 112 -1.171 -9.735 -13.750 1.00 0.00 C ATOM 1774 O THR A 112 -0.014 -9.322 -13.652 1.00 0.00 O ATOM 1775 CB THR A 112 -1.424 -12.140 -14.414 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.609 -12.092 -15.222 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.220 -13.551 -13.880 1.00 0.00 C ATOM 0 H THR A 112 -3.625 -11.041 -13.468 1.00 0.00 H new ATOM 0 HA THR A 112 -0.876 -11.420 -12.460 1.00 0.00 H new ATOM 0 HB THR A 112 -0.554 -11.876 -15.015 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.419 -12.475 -16.104 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.132 -14.247 -14.715 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.310 -13.585 -13.281 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.072 -13.833 -13.261 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.160 -9.017 -14.270 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.968 -7.660 -14.763 1.00 0.00 C ATOM 1787 C TYR A 113 -2.948 -6.706 -14.088 1.00 0.00 C ATOM 1788 O TYR A 113 -4.143 -6.990 -14.011 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.175 -7.604 -16.283 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.071 -8.246 -17.100 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -0.933 -9.627 -17.170 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.174 -7.463 -17.816 1.00 0.00 C ATOM 1793 CE1 TYR A 113 0.068 -10.208 -17.926 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.829 -8.037 -18.573 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.946 -9.409 -18.625 1.00 0.00 C ATOM 1796 OH TYR A 113 1.944 -9.982 -19.380 1.00 0.00 O ATOM 0 H TYR A 113 -3.116 -9.360 -14.361 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.948 -7.357 -14.528 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.118 -8.094 -16.525 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.271 -6.561 -16.584 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.620 -10.257 -16.624 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.262 -6.387 -17.780 1.00 0.00 H new ATOM 0 HE1 TYR A 113 0.161 -11.283 -17.968 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.519 -7.413 -19.122 1.00 0.00 H new ATOM 0 HH TYR A 113 1.551 -10.618 -20.014 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.441 -5.586 -13.593 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.293 -4.541 -13.039 1.00 0.00 C ATOM 1808 C LEU A 114 -3.195 -3.280 -13.884 1.00 0.00 C ATOM 1809 O LEU A 114 -2.100 -2.784 -14.149 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.918 -4.225 -11.589 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.257 -5.314 -10.569 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.898 -4.852 -9.166 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.731 -5.682 -10.646 1.00 0.00 C ATOM 0 H LEU A 114 -1.443 -5.377 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.320 -4.907 -13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.847 -4.030 -11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.423 -3.305 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.670 -6.202 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.144 -5.636 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.831 -4.637 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.461 -3.951 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.951 -6.458 -9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.337 -4.801 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.962 -6.051 -11.645 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.340 -2.772 -14.304 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.391 -1.601 -15.162 1.00 0.00 C ATOM 1827 C ARG A 115 -4.885 -0.391 -14.374 1.00 0.00 C ATOM 1828 O ARG A 115 -6.072 -0.279 -14.080 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.314 -1.880 -16.353 1.00 0.00 C ATOM 1830 CG ARG A 115 -5.380 -0.761 -17.381 1.00 0.00 C ATOM 1831 CD ARG A 115 -6.346 -1.109 -18.508 1.00 0.00 C ATOM 1832 NE ARG A 115 -6.457 -0.040 -19.501 1.00 0.00 N ATOM 1833 CZ ARG A 115 -7.555 0.194 -20.226 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -8.625 -0.585 -20.092 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -7.581 1.208 -21.082 1.00 0.00 N ATOM 0 H ARG A 115 -5.254 -3.155 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.390 -1.381 -15.533 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.980 -2.791 -16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.320 -2.071 -15.979 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.697 0.163 -16.898 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.387 -0.581 -17.792 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.012 -2.023 -18.999 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.331 -1.314 -18.088 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.648 0.563 -19.649 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.609 -1.364 -19.434 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.461 -0.403 -20.647 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.763 1.808 -21.186 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.419 1.387 -21.635 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.968 0.495 -14.011 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.323 1.697 -13.268 1.00 0.00 C ATOM 1851 C PHE A 116 -4.644 2.837 -14.223 1.00 0.00 C ATOM 1852 O PHE A 116 -3.740 3.433 -14.809 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.187 2.117 -12.335 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.013 1.237 -11.129 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.213 0.107 -11.182 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -3.644 1.552 -9.937 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -2.044 -0.691 -10.065 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -3.481 0.758 -8.819 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.680 -0.365 -8.882 1.00 0.00 C ATOM 0 H PHE A 116 -2.973 0.405 -14.218 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.205 1.471 -12.668 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.255 2.126 -12.900 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.367 3.139 -12.001 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.716 -0.153 -12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.271 2.429 -9.881 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.416 -1.568 -10.117 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.980 1.015 -7.896 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.551 -0.987 -8.009 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.926 3.125 -14.388 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.362 4.187 -15.280 1.00 0.00 C ATOM 1871 C ILE A 117 -6.649 5.467 -14.502 1.00 0.00 C ATOM 1872 O ILE A 117 -7.716 5.618 -13.908 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.632 3.788 -16.061 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.443 2.429 -16.737 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.973 4.851 -17.098 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.700 1.904 -17.396 1.00 0.00 C ATOM 0 H ILE A 117 -6.685 2.636 -13.914 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.549 4.358 -15.986 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.459 3.711 -15.355 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.656 2.511 -17.487 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.102 1.707 -15.995 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.871 4.555 -17.641 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.148 5.804 -16.598 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.144 4.956 -17.798 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -8.493 0.937 -17.855 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.483 1.790 -16.647 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -9.030 2.606 -18.161 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.693 6.380 -14.486 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.908 7.683 -13.887 1.00 0.00 C ATOM 1890 C ILE A 118 -6.553 8.601 -14.917 1.00 0.00 C ATOM 1891 O ILE A 118 -5.865 9.250 -15.703 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.598 8.318 -13.374 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.858 7.348 -12.448 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -4.893 9.624 -12.646 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.540 7.890 -11.931 1.00 0.00 C ATOM 0 H ILE A 118 -4.763 6.242 -14.881 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.561 7.551 -13.025 1.00 0.00 H new ATOM 0 HB ILE A 118 -3.959 8.533 -14.231 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.500 7.107 -11.601 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.673 6.417 -12.984 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -3.960 10.061 -12.290 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.381 10.319 -13.329 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.549 9.428 -11.798 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.072 7.150 -11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.880 8.105 -12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.719 8.805 -11.367 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.878 8.613 -14.933 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.631 9.373 -15.922 1.00 0.00 C ATOM 1909 C VAL A 119 -8.310 10.861 -15.826 1.00 0.00 C ATOM 1910 O VAL A 119 -7.742 11.443 -16.749 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.151 9.166 -15.753 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -10.923 9.899 -16.842 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.494 7.684 -15.760 1.00 0.00 C ATOM 0 H VAL A 119 -8.458 8.101 -14.268 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.334 9.004 -16.904 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.444 9.583 -14.790 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -11.992 9.738 -16.701 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.706 10.966 -16.786 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.624 9.519 -17.819 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.570 7.559 -15.640 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.181 7.243 -16.706 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.977 7.187 -14.939 1.00 0.00 H new ATOM 1923 N SER A 120 -8.662 11.463 -14.701 1.00 0.00 N ATOM 1924 CA SER A 120 -8.449 12.884 -14.502 1.00 0.00 C ATOM 1925 C SER A 120 -7.918 13.149 -13.098 1.00 0.00 C ATOM 1926 O SER A 120 -8.077 12.318 -12.198 1.00 0.00 O ATOM 1927 CB SER A 120 -9.756 13.648 -14.739 1.00 0.00 C ATOM 1928 OG SER A 120 -10.227 13.440 -16.061 1.00 0.00 O ATOM 0 H SER A 120 -9.097 10.987 -13.911 1.00 0.00 H new ATOM 0 HA SER A 120 -7.707 13.234 -15.219 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.510 13.319 -14.023 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.597 14.713 -14.568 1.00 0.00 H new ATOM 0 HG SER A 120 -11.063 13.935 -16.192 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.286 14.298 -12.917 1.00 0.00 N ATOM 1935 CA ALA A 121 -6.721 14.671 -11.631 1.00 0.00 C ATOM 1936 C ALA A 121 -7.137 16.090 -11.262 1.00 0.00 C ATOM 1937 O ALA A 121 -7.770 16.778 -12.062 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.203 14.545 -11.670 1.00 0.00 C ATOM 0 H ALA A 121 -7.151 14.993 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.104 13.994 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.790 14.827 -10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.929 13.514 -11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.803 15.204 -12.441 1.00 0.00 H new ATOM 1944 N PHE A 122 -6.793 16.521 -10.056 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.106 17.878 -9.609 1.00 0.00 C ATOM 1946 C PHE A 122 -6.060 18.863 -10.111 1.00 0.00 C ATOM 1947 O PHE A 122 -6.184 20.076 -9.930 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.186 17.948 -8.083 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.400 17.281 -7.505 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.613 17.949 -7.459 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -8.329 15.994 -7.002 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.734 17.343 -6.924 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -9.445 15.384 -6.465 1.00 0.00 C ATOM 1954 CZ PHE A 122 -10.649 16.059 -6.426 1.00 0.00 C ATOM 0 H PHE A 122 -6.298 15.954 -9.368 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.078 18.147 -10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.294 17.485 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.178 18.994 -7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.683 18.955 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.390 15.461 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.674 17.873 -6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.376 14.379 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.523 15.583 -6.006 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.026 18.331 -10.733 1.00 0.00 N ATOM 1965 CA ASP A 123 -3.958 19.145 -11.277 1.00 0.00 C ATOM 1966 C ASP A 123 -3.613 18.637 -12.669 1.00 0.00 C ATOM 1967 O ASP A 123 -4.151 17.620 -13.106 1.00 0.00 O ATOM 1968 CB ASP A 123 -2.735 19.090 -10.358 1.00 0.00 C ATOM 1969 CG ASP A 123 -1.774 20.233 -10.598 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -1.963 21.310 -9.991 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -0.831 20.068 -11.401 1.00 0.00 O ATOM 0 H ASP A 123 -4.903 17.328 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.280 20.184 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.065 19.110 -9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.214 18.145 -10.509 1.00 0.00 H new ATOM 1976 N HIS A 124 -2.719 19.325 -13.362 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.354 18.926 -14.716 1.00 0.00 C ATOM 1978 C HIS A 124 -1.207 17.933 -14.675 1.00 0.00 C ATOM 1979 O HIS A 124 -0.825 17.361 -15.695 1.00 0.00 O ATOM 1980 CB HIS A 124 -1.977 20.141 -15.568 1.00 0.00 C ATOM 1981 CG HIS A 124 -3.102 21.113 -15.743 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -4.058 20.997 -16.729 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -3.432 22.217 -15.036 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -4.922 21.985 -16.620 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -4.567 22.739 -15.600 1.00 0.00 N ATOM 0 H HIS A 124 -2.236 20.154 -13.016 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.220 18.450 -15.176 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -1.133 20.652 -15.106 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.645 19.800 -16.548 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.900 22.614 -14.184 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.777 22.149 -17.259 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -5.057 23.575 -15.282 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.655 17.741 -13.486 1.00 0.00 N ATOM 1994 CA PHE A 125 0.379 16.746 -13.278 1.00 0.00 C ATOM 1995 C PHE A 125 0.001 15.847 -12.112 1.00 0.00 C ATOM 1996 O PHE A 125 -0.229 16.321 -11.002 1.00 0.00 O ATOM 1997 CB PHE A 125 1.729 17.419 -13.005 1.00 0.00 C ATOM 1998 CG PHE A 125 2.223 18.264 -14.143 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.964 17.702 -15.170 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.941 19.621 -14.191 1.00 0.00 C ATOM 2001 CE1 PHE A 125 3.417 18.476 -16.221 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.392 20.399 -15.240 1.00 0.00 C ATOM 2003 CZ PHE A 125 3.130 19.825 -16.257 1.00 0.00 C ATOM 0 H PHE A 125 -0.909 18.265 -12.649 1.00 0.00 H new ATOM 0 HA PHE A 125 0.470 16.144 -14.182 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.641 18.041 -12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.470 16.651 -12.786 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.190 16.646 -15.149 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.363 20.075 -13.400 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.995 18.025 -17.014 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.168 21.455 -15.265 1.00 0.00 H new ATOM 0 HZ PHE A 125 3.482 20.431 -17.079 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.076 14.553 -12.375 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.366 13.581 -11.337 1.00 0.00 C ATOM 2015 C ALA A 126 0.876 12.755 -11.055 1.00 0.00 C ATOM 2016 O ALA A 126 1.705 12.551 -11.946 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.529 12.690 -11.746 1.00 0.00 C ATOM 0 H ALA A 126 0.059 14.151 -13.303 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.655 14.106 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.730 11.968 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.415 13.302 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.276 12.160 -12.664 1.00 0.00 H new ATOM 2023 N SER A 127 1.009 12.285 -9.826 1.00 0.00 N ATOM 2024 CA SER A 127 2.201 11.557 -9.428 1.00 0.00 C ATOM 2025 C SER A 127 1.872 10.409 -8.480 1.00 0.00 C ATOM 2026 O SER A 127 1.105 10.574 -7.528 1.00 0.00 O ATOM 2027 CB SER A 127 3.195 12.516 -8.772 1.00 0.00 C ATOM 2028 OG SER A 127 2.579 13.257 -7.731 1.00 0.00 O ATOM 0 H SER A 127 0.310 12.394 -9.091 1.00 0.00 H new ATOM 0 HA SER A 127 2.647 11.124 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.038 11.953 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.595 13.199 -9.521 1.00 0.00 H new ATOM 0 HG SER A 127 3.236 13.862 -7.327 1.00 0.00 H new ATOM 2034 N VAL A 128 2.452 9.251 -8.758 1.00 0.00 N ATOM 2035 CA VAL A 128 2.317 8.086 -7.898 1.00 0.00 C ATOM 2036 C VAL A 128 3.672 7.388 -7.793 1.00 0.00 C ATOM 2037 O VAL A 128 4.468 7.425 -8.732 1.00 0.00 O ATOM 2038 CB VAL A 128 1.247 7.101 -8.438 1.00 0.00 C ATOM 2039 CG1 VAL A 128 1.660 6.531 -9.785 1.00 0.00 C ATOM 2040 CG2 VAL A 128 0.974 5.980 -7.441 1.00 0.00 C ATOM 0 H VAL A 128 3.028 9.093 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 128 1.989 8.415 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 128 0.323 7.662 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.892 5.844 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.780 7.343 -10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.604 5.997 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.220 5.306 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.894 5.425 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.613 6.406 -6.505 1.00 0.00 H new ATOM 2050 N HIS A 129 3.960 6.789 -6.649 1.00 0.00 N ATOM 2051 CA HIS A 129 5.228 6.094 -6.475 1.00 0.00 C ATOM 2052 C HIS A 129 5.014 4.701 -5.923 1.00 0.00 C ATOM 2053 O HIS A 129 5.538 3.729 -6.453 1.00 0.00 O ATOM 2054 CB HIS A 129 6.163 6.865 -5.539 1.00 0.00 C ATOM 2055 CG HIS A 129 7.512 6.221 -5.381 1.00 0.00 C ATOM 2056 ND1 HIS A 129 7.808 5.312 -4.381 1.00 0.00 N ATOM 2057 CD2 HIS A 129 8.645 6.350 -6.112 1.00 0.00 C ATOM 2058 CE1 HIS A 129 9.061 4.915 -4.508 1.00 0.00 C ATOM 2059 NE2 HIS A 129 9.589 5.531 -5.550 1.00 0.00 N ATOM 0 H HIS A 129 3.344 6.768 -5.836 1.00 0.00 H new ATOM 0 HA HIS A 129 5.690 6.025 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 129 6.294 7.877 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 129 5.693 6.953 -4.559 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.780 6.982 -6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.568 4.207 -3.869 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.546 5.416 -5.883 1.00 0.00 H new ATOM 2067 N SER A 130 4.251 4.611 -4.852 1.00 0.00 N ATOM 2068 CA SER A 130 4.110 3.358 -4.148 1.00 0.00 C ATOM 2069 C SER A 130 2.681 2.842 -4.221 1.00 0.00 C ATOM 2070 O SER A 130 1.776 3.379 -3.578 1.00 0.00 O ATOM 2071 CB SER A 130 4.550 3.535 -2.695 1.00 0.00 C ATOM 2072 OG SER A 130 5.874 4.054 -2.627 1.00 0.00 O ATOM 0 H SER A 130 3.723 5.388 -4.454 1.00 0.00 H new ATOM 0 HA SER A 130 4.749 2.615 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.864 4.209 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.503 2.577 -2.177 1.00 0.00 H new ATOM 0 HG SER A 130 6.160 4.338 -3.520 1.00 0.00 H new ATOM 2078 N VAL A 131 2.484 1.827 -5.042 1.00 0.00 N ATOM 2079 CA VAL A 131 1.231 1.101 -5.082 1.00 0.00 C ATOM 2080 C VAL A 131 1.487 -0.341 -4.665 1.00 0.00 C ATOM 2081 O VAL A 131 1.768 -1.208 -5.489 1.00 0.00 O ATOM 2082 CB VAL A 131 0.567 1.151 -6.480 1.00 0.00 C ATOM 2083 CG1 VAL A 131 -0.089 2.502 -6.714 1.00 0.00 C ATOM 2084 CG2 VAL A 131 1.583 0.870 -7.582 1.00 0.00 C ATOM 0 H VAL A 131 3.187 1.485 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 131 0.536 1.577 -4.390 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.198 0.375 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.550 2.517 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.853 2.672 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.664 3.288 -6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.088 0.912 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.375 1.618 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.013 -0.121 -7.436 1.00 0.00 H new ATOM 2094 N SER A 132 1.369 -0.599 -3.380 1.00 0.00 N ATOM 2095 CA SER A 132 1.791 -1.871 -2.832 1.00 0.00 C ATOM 2096 C SER A 132 0.645 -2.863 -2.839 1.00 0.00 C ATOM 2097 O SER A 132 -0.450 -2.568 -2.367 1.00 0.00 O ATOM 2098 CB SER A 132 2.298 -1.680 -1.398 1.00 0.00 C ATOM 2099 OG SER A 132 3.356 -0.734 -1.349 1.00 0.00 O ATOM 0 H SER A 132 0.985 0.053 -2.696 1.00 0.00 H new ATOM 0 HA SER A 132 2.597 -2.263 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.479 -1.346 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.642 -2.635 -1.001 1.00 0.00 H new ATOM 0 HG SER A 132 4.199 -1.196 -1.158 1.00 0.00 H new ATOM 2105 N ALA A 133 0.896 -4.042 -3.380 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.099 -5.084 -3.367 1.00 0.00 C ATOM 2107 C ALA A 133 0.309 -6.105 -2.332 1.00 0.00 C ATOM 2108 O ALA A 133 1.250 -6.857 -2.543 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.230 -5.720 -4.743 1.00 0.00 C ATOM 0 H ALA A 133 1.776 -4.295 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.075 -4.670 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.986 -6.504 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.524 -4.961 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.727 -6.151 -5.037 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.360 -6.099 -1.199 1.00 0.00 N ATOM 2116 CA GLU A 134 0.023 -6.977 -0.117 1.00 0.00 C ATOM 2117 C GLU A 134 -0.784 -8.257 -0.167 1.00 0.00 C ATOM 2118 O GLU A 134 -2.016 -8.247 -0.178 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.112 -6.281 1.236 1.00 0.00 C ATOM 2120 CG GLU A 134 0.875 -5.137 1.406 1.00 0.00 C ATOM 2121 CD GLU A 134 1.211 -4.860 2.856 1.00 0.00 C ATOM 2122 OE1 GLU A 134 0.514 -4.046 3.495 1.00 0.00 O ATOM 2123 OE2 GLU A 134 2.184 -5.451 3.367 1.00 0.00 O ATOM 0 H GLU A 134 -1.164 -5.502 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 134 1.075 -7.235 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.127 -5.899 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.041 -7.010 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.791 -5.371 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.460 -4.235 0.956 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.053 -9.352 -0.217 1.00 0.00 N ATOM 2131 CA GLY A 135 -0.634 -10.654 -0.402 1.00 0.00 C ATOM 2132 C GLY A 135 0.459 -11.685 -0.511 1.00 0.00 C ATOM 2133 O GLY A 135 1.525 -11.512 0.074 1.00 0.00 O ATOM 0 H GLY A 135 0.963 -9.357 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.290 -10.893 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.249 -10.664 -1.302 1.00 0.00 H new ATOM 2137 N THR A 136 0.229 -12.738 -1.264 1.00 0.00 N ATOM 2138 CA THR A 136 1.226 -13.784 -1.405 1.00 0.00 C ATOM 2139 C THR A 136 1.155 -14.441 -2.772 1.00 0.00 C ATOM 2140 O THR A 136 0.115 -14.418 -3.435 1.00 0.00 O ATOM 2141 CB THR A 136 1.070 -14.857 -0.312 1.00 0.00 C ATOM 2142 OG1 THR A 136 -0.305 -14.959 0.083 1.00 0.00 O ATOM 2143 CG2 THR A 136 1.937 -14.527 0.891 1.00 0.00 C ATOM 0 H THR A 136 -0.633 -12.895 -1.786 1.00 0.00 H new ATOM 0 HA THR A 136 2.200 -13.307 -1.296 1.00 0.00 H new ATOM 0 HB THR A 136 1.396 -15.815 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 136 -0.396 -15.645 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.812 -15.298 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 136 2.982 -14.485 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.639 -13.562 1.300 1.00 0.00 H new ATOM 2151 N VAL A 137 2.273 -15.011 -3.193 1.00 0.00 N ATOM 2152 CA VAL A 137 2.335 -15.725 -4.454 1.00 0.00 C ATOM 2153 C VAL A 137 1.579 -17.044 -4.351 1.00 0.00 C ATOM 2154 O VAL A 137 1.645 -17.735 -3.333 1.00 0.00 O ATOM 2155 CB VAL A 137 3.794 -15.991 -4.888 1.00 0.00 C ATOM 2156 CG1 VAL A 137 4.529 -14.680 -5.108 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.527 -16.840 -3.858 1.00 0.00 C ATOM 0 H VAL A 137 3.152 -14.992 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 137 1.867 -15.096 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 137 3.770 -16.543 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.555 -14.885 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.026 -14.107 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.534 -14.106 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.551 -17.011 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.538 -16.321 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.017 -17.797 -3.746 1.00 0.00 H new ATOM 2167 N VAL A 138 0.834 -17.365 -5.390 1.00 0.00 N ATOM 2168 CA VAL A 138 0.082 -18.605 -5.429 1.00 0.00 C ATOM 2169 C VAL A 138 0.821 -19.631 -6.275 1.00 0.00 C ATOM 2170 O VAL A 138 1.036 -20.765 -5.851 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.335 -18.386 -6.001 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -2.127 -19.684 -6.015 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.069 -17.319 -5.204 1.00 0.00 C ATOM 0 H VAL A 138 0.733 -16.783 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.016 -18.971 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.235 -18.044 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -3.121 -19.499 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.611 -20.418 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.217 -20.066 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.066 -17.176 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.151 -17.634 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.516 -16.381 -5.257 1.00 0.00 H new ATOM 2183 N SER A 139 1.234 -19.208 -7.460 1.00 0.00 N ATOM 2184 CA SER A 139 1.923 -20.085 -8.386 1.00 0.00 C ATOM 2185 C SER A 139 3.101 -19.360 -9.026 1.00 0.00 C ATOM 2186 O SER A 139 2.935 -18.309 -9.654 1.00 0.00 O ATOM 2187 CB SER A 139 0.951 -20.582 -9.461 1.00 0.00 C ATOM 2188 OG SER A 139 1.608 -21.387 -10.428 1.00 0.00 O ATOM 0 H SER A 139 1.101 -18.256 -7.802 1.00 0.00 H new ATOM 0 HA SER A 139 2.306 -20.945 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.151 -21.155 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.485 -19.729 -9.953 1.00 0.00 H new ATOM 0 HG SER A 139 0.959 -21.689 -11.098 1.00 0.00 H new