USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 23 HIS : no HD1:sc= -2.64 K(o=-2.8,f=-7.7!) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.128 X(o=-2.8,f=-2.9) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 44:sc= 0.026 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -91:sc= 1.15 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.494 F(o=-1.2,f=-0.49) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.49 F(o=-2.4,f=-1.5) USER MOD Single : A 15 MET CE :methyl 143:sc= -9.8! (180deg=-13.2!) USER MOD Single : A 20 MET CE :methyl 154:sc= -3.45! (180deg=-5.66!) USER MOD Single : A 22 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.16) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.231 K(o=-0.23,f=-2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -3.84 K(o=-3.8,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 53 MET CE :methyl -173:sc= -0.24 (180deg=-0.356) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -0.0883 (180deg=-0.68) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 169:sc= 0 (180deg=-0.195) USER MOD Single : A 70 MET CE :methyl -116:sc= -7.37! (180deg=-11!) USER MOD Single : A 72 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.5) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -179:sc= -4.7! (180deg=-4.7!) USER MOD Single : A 82 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.056) USER MOD Single : A 84 MET CE :methyl -144:sc= -0.144 (180deg=-1.78!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-8.4!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.689 F(o=-3!,f=-0.69) USER MOD Single : A 95 ASN : amide:sc= 0.948 K(o=0.95,f=-0.18) USER MOD Single : A 97 MET CE :methyl 151:sc= -2.29 (180deg=-7.54!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.6!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 14.603 14.931 4.171 1.00 0.00 N ATOM 2 CA PRO A 1 14.874 14.192 2.897 1.00 0.00 C ATOM 3 C PRO A 1 13.598 13.640 2.233 1.00 0.00 C ATOM 4 O PRO A 1 12.724 13.083 2.898 1.00 0.00 O ATOM 5 CB PRO A 1 15.906 13.079 3.141 1.00 0.00 C ATOM 6 CG PRO A 1 15.815 12.797 4.645 1.00 0.00 C ATOM 7 CD PRO A 1 15.011 13.960 5.234 1.00 0.00 C ATOM 0 H2 PRO A 1 13.619 15.187 4.254 1.00 0.00 H new ATOM 0 H3 PRO A 1 15.142 15.795 4.225 1.00 0.00 H new ATOM 0 HA PRO A 1 15.287 14.912 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 1 15.676 12.189 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 1 16.909 13.398 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 1 15.322 11.844 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.807 12.739 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 1 14.124 13.574 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.608 14.473 5.988 1.00 0.00 H new ATOM 15 N TYR A 2 13.510 13.822 0.910 1.00 0.00 N ATOM 16 CA TYR A 2 12.373 13.351 0.127 1.00 0.00 C ATOM 17 C TYR A 2 12.341 11.825 0.048 1.00 0.00 C ATOM 18 O TYR A 2 11.286 11.217 0.194 1.00 0.00 O ATOM 19 CB TYR A 2 12.508 13.926 -1.282 1.00 0.00 C ATOM 20 CG TYR A 2 12.051 15.362 -1.406 1.00 0.00 C ATOM 21 CD1 TYR A 2 10.677 15.648 -1.492 1.00 0.00 C ATOM 22 CD2 TYR A 2 12.995 16.405 -1.436 1.00 0.00 C ATOM 23 CE1 TYR A 2 10.244 16.986 -1.623 1.00 0.00 C ATOM 24 CE2 TYR A 2 12.559 17.746 -1.562 1.00 0.00 C ATOM 25 CZ TYR A 2 11.184 18.028 -1.669 1.00 0.00 C ATOM 26 OH TYR A 2 10.752 19.311 -1.757 1.00 0.00 O ATOM 0 H TYR A 2 14.224 14.298 0.359 1.00 0.00 H new ATOM 0 HA TYR A 2 11.449 13.677 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 2 13.551 13.859 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 2 11.930 13.311 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.954 14.846 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 2 14.049 16.183 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.189 17.208 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 2 13.279 18.551 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 2 11.523 19.915 -1.778 1.00 0.00 H new ATOM 36 N GLY A 3 13.518 11.217 -0.097 1.00 0.00 N ATOM 37 CA GLY A 3 13.650 9.778 -0.230 1.00 0.00 C ATOM 38 C GLY A 3 14.173 9.381 -1.601 1.00 0.00 C ATOM 39 O GLY A 3 14.048 10.123 -2.574 1.00 0.00 O ATOM 0 H GLY A 3 14.407 11.717 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.325 9.403 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.682 9.307 -0.061 1.00 0.00 H new ATOM 43 N ARG A 4 14.853 8.235 -1.647 1.00 0.00 N ATOM 44 CA ARG A 4 15.380 7.709 -2.899 1.00 0.00 C ATOM 45 C ARG A 4 14.280 7.052 -3.728 1.00 0.00 C ATOM 46 O ARG A 4 13.164 6.890 -3.256 1.00 0.00 O ATOM 47 CB ARG A 4 16.510 6.718 -2.593 1.00 0.00 C ATOM 48 CG ARG A 4 17.522 6.718 -3.736 1.00 0.00 C ATOM 49 CD ARG A 4 18.948 6.478 -3.225 1.00 0.00 C ATOM 50 NE ARG A 4 19.744 7.720 -3.262 1.00 0.00 N ATOM 51 CZ ARG A 4 19.994 8.444 -4.345 1.00 0.00 C ATOM 52 NH1 ARG A 4 19.543 8.090 -5.521 1.00 0.00 N ATOM 53 NH2 ARG A 4 20.672 9.551 -4.262 1.00 0.00 N ATOM 0 H ARG A 4 15.050 7.656 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 4 15.778 8.532 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 4 17.002 6.991 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.101 5.717 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 4 17.258 5.944 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 4 17.479 7.672 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 4 18.912 6.096 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 4 19.432 5.715 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 4 20.135 8.050 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 4 18.986 7.241 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 4 19.748 8.663 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 4 21.018 9.871 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 4 20.858 10.099 -5.102 1.00 0.00 H new ATOM 67 N GLY A 5 14.634 6.597 -4.922 1.00 0.00 N ATOM 68 CA GLY A 5 13.723 5.894 -5.805 1.00 0.00 C ATOM 69 C GLY A 5 14.182 4.470 -6.028 1.00 0.00 C ATOM 70 O GLY A 5 15.358 4.234 -6.313 1.00 0.00 O ATOM 0 H GLY A 5 15.572 6.708 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.721 5.895 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.661 6.415 -6.761 1.00 0.00 H new ATOM 74 N ARG A 6 13.266 3.526 -5.865 1.00 0.00 N ATOM 75 CA ARG A 6 13.565 2.118 -6.090 1.00 0.00 C ATOM 76 C ARG A 6 12.349 1.432 -6.615 1.00 0.00 C ATOM 77 O ARG A 6 11.284 1.899 -6.266 1.00 0.00 O ATOM 78 CB ARG A 6 13.973 1.452 -4.773 1.00 0.00 C ATOM 79 CG ARG A 6 15.431 1.011 -4.859 1.00 0.00 C ATOM 80 CD ARG A 6 15.601 -0.155 -5.840 1.00 0.00 C ATOM 81 NE ARG A 6 16.823 -0.920 -5.554 1.00 0.00 N ATOM 82 CZ ARG A 6 17.125 -2.106 -6.053 1.00 0.00 C ATOM 83 NH1 ARG A 6 16.343 -2.687 -6.918 1.00 0.00 N ATOM 84 NH2 ARG A 6 18.245 -2.688 -5.725 1.00 0.00 N ATOM 0 H ARG A 6 12.305 3.710 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 6 14.382 2.040 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.840 2.148 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.333 0.593 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.049 1.850 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.782 0.713 -3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.735 -0.814 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.639 0.228 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 6 17.497 -0.499 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.484 -2.226 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.590 -3.602 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.890 -2.228 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.476 -3.603 -6.111 1.00 0.00 H new ATOM 98 N THR A 7 12.526 0.349 -7.370 1.00 0.00 N ATOM 99 CA THR A 7 11.431 -0.362 -8.033 1.00 0.00 C ATOM 100 C THR A 7 11.821 -1.809 -8.282 1.00 0.00 C ATOM 101 O THR A 7 12.692 -2.098 -9.100 1.00 0.00 O ATOM 102 CB THR A 7 11.020 0.348 -9.331 1.00 0.00 C ATOM 103 OG1 THR A 7 12.196 0.764 -9.996 1.00 0.00 O ATOM 104 CG2 THR A 7 10.241 1.638 -9.044 1.00 0.00 C ATOM 0 H THR A 7 13.442 -0.065 -7.541 1.00 0.00 H new ATOM 0 HA THR A 7 10.561 -0.357 -7.376 1.00 0.00 H new ATOM 0 HB THR A 7 10.410 -0.345 -9.910 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.856 0.040 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.966 2.114 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.339 1.400 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.864 2.317 -8.462 1.00 0.00 H new ATOM 112 N GLU A 8 11.382 -2.692 -7.388 1.00 0.00 N ATOM 113 CA GLU A 8 11.686 -4.116 -7.511 1.00 0.00 C ATOM 114 C GLU A 8 10.799 -4.796 -8.552 1.00 0.00 C ATOM 115 O GLU A 8 10.004 -4.159 -9.230 1.00 0.00 O ATOM 116 CB GLU A 8 11.561 -4.806 -6.152 1.00 0.00 C ATOM 117 CG GLU A 8 12.582 -4.251 -5.164 1.00 0.00 C ATOM 118 CD GLU A 8 13.721 -5.246 -4.946 1.00 0.00 C ATOM 119 OE1 GLU A 8 14.163 -5.861 -5.948 1.00 0.00 O ATOM 120 OE2 GLU A 8 14.188 -5.317 -3.792 1.00 0.00 O ATOM 0 H GLU A 8 10.817 -2.449 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 8 12.716 -4.208 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.554 -4.664 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.709 -5.879 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.983 -3.309 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.095 -4.035 -4.213 1.00 0.00 H new ATOM 127 N SER A 9 10.933 -6.112 -8.684 1.00 0.00 N ATOM 128 CA SER A 9 10.118 -6.906 -9.589 1.00 0.00 C ATOM 129 C SER A 9 9.121 -7.786 -8.835 1.00 0.00 C ATOM 130 O SER A 9 8.906 -7.650 -7.628 1.00 0.00 O ATOM 131 CB SER A 9 11.040 -7.741 -10.479 1.00 0.00 C ATOM 132 OG SER A 9 11.056 -7.248 -11.800 1.00 0.00 O ATOM 0 H SER A 9 11.616 -6.659 -8.161 1.00 0.00 H new ATOM 0 HA SER A 9 9.523 -6.236 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.051 -7.730 -10.072 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.708 -8.779 -10.479 1.00 0.00 H new ATOM 0 HG SER A 9 11.654 -7.798 -12.347 1.00 0.00 H new ATOM 138 N GLY A 10 8.515 -8.735 -9.543 1.00 0.00 N ATOM 139 CA GLY A 10 7.578 -9.674 -8.966 1.00 0.00 C ATOM 140 C GLY A 10 6.440 -8.926 -8.331 1.00 0.00 C ATOM 141 O GLY A 10 5.898 -8.027 -8.949 1.00 0.00 O ATOM 0 H GLY A 10 8.667 -8.869 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.200 -10.346 -9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.080 -10.293 -8.222 1.00 0.00 H new ATOM 145 N CYS A 11 6.053 -9.267 -7.106 1.00 0.00 N ATOM 146 CA CYS A 11 4.938 -8.637 -6.418 1.00 0.00 C ATOM 147 C CYS A 11 4.997 -7.122 -6.548 1.00 0.00 C ATOM 148 O CYS A 11 4.050 -6.519 -7.026 1.00 0.00 O ATOM 149 CB CYS A 11 4.965 -9.024 -4.961 1.00 0.00 C ATOM 150 SG CYS A 11 5.284 -10.745 -4.502 1.00 0.00 S ATOM 0 H CYS A 11 6.511 -9.996 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 11 4.011 -8.981 -6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.723 -8.410 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.003 -8.744 -4.531 1.00 0.00 H new ATOM 155 N TYR A 12 6.143 -6.534 -6.209 1.00 0.00 N ATOM 156 CA TYR A 12 6.417 -5.130 -6.419 1.00 0.00 C ATOM 157 C TYR A 12 6.038 -4.659 -7.818 1.00 0.00 C ATOM 158 O TYR A 12 5.298 -3.700 -7.962 1.00 0.00 O ATOM 159 CB TYR A 12 7.903 -4.902 -6.206 1.00 0.00 C ATOM 160 CG TYR A 12 8.280 -3.459 -5.990 1.00 0.00 C ATOM 161 CD1 TYR A 12 8.002 -2.477 -6.950 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.982 -3.108 -4.838 1.00 0.00 C ATOM 163 CE1 TYR A 12 8.339 -1.139 -6.705 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.350 -1.780 -4.588 1.00 0.00 C ATOM 165 CZ TYR A 12 8.974 -0.799 -5.501 1.00 0.00 C ATOM 166 OH TYR A 12 9.298 0.476 -5.234 1.00 0.00 O ATOM 0 H TYR A 12 6.916 -7.037 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 12 5.814 -4.559 -5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.229 -5.484 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.446 -5.282 -7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.527 -2.752 -7.880 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.247 -3.875 -4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.112 -0.377 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.914 -1.522 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 12 10.206 0.657 -5.555 1.00 0.00 H new ATOM 176 N GLN A 13 6.522 -5.349 -8.842 1.00 0.00 N ATOM 177 CA GLN A 13 6.176 -5.030 -10.208 1.00 0.00 C ATOM 178 C GLN A 13 4.658 -5.044 -10.398 1.00 0.00 C ATOM 179 O GLN A 13 4.098 -4.174 -11.041 1.00 0.00 O ATOM 180 CB GLN A 13 6.855 -6.015 -11.167 1.00 0.00 C ATOM 181 CG GLN A 13 6.241 -5.977 -12.564 1.00 0.00 C ATOM 182 CD GLN A 13 5.234 -7.108 -12.748 1.00 0.00 C ATOM 183 OE1 GLN A 13 4.004 -6.749 -13.004 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 5.531 -8.286 -12.601 1.00 0.00 N flip ATOM 0 H GLN A 13 7.160 -6.139 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 13 6.533 -4.025 -10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.918 -5.781 -11.233 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.775 -7.025 -10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.749 -5.017 -12.723 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.028 -6.060 -13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.497 -8.547 -12.402 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.813 -9.006 -12.678 1.00 0.00 H new ATOM 193 N GLN A 14 3.976 -6.045 -9.861 1.00 0.00 N ATOM 194 CA GLN A 14 2.544 -6.113 -9.974 1.00 0.00 C ATOM 195 C GLN A 14 1.887 -4.893 -9.379 1.00 0.00 C ATOM 196 O GLN A 14 0.895 -4.449 -9.911 1.00 0.00 O ATOM 197 CB GLN A 14 2.003 -7.360 -9.312 1.00 0.00 C ATOM 198 CG GLN A 14 1.948 -8.555 -10.263 1.00 0.00 C ATOM 199 CD GLN A 14 2.631 -9.779 -9.679 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.790 -9.601 -9.120 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 2.150 -10.887 -9.659 1.00 0.00 N flip ATOM 0 H GLN A 14 4.399 -6.816 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 14 2.308 -6.150 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.627 -7.611 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.002 -7.159 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.908 -8.792 -10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.425 -8.290 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.241 -11.056 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.653 -11.653 -9.211 1.00 0.00 H new ATOM 210 N MET A 15 2.419 -4.366 -8.290 1.00 0.00 N ATOM 211 CA MET A 15 1.932 -3.184 -7.639 1.00 0.00 C ATOM 212 C MET A 15 1.836 -2.022 -8.585 1.00 0.00 C ATOM 213 O MET A 15 0.728 -1.596 -8.816 1.00 0.00 O ATOM 214 CB MET A 15 2.813 -2.748 -6.492 1.00 0.00 C ATOM 215 CG MET A 15 3.045 -3.894 -5.542 1.00 0.00 C ATOM 216 SD MET A 15 3.658 -3.243 -4.022 1.00 0.00 S ATOM 217 CE MET A 15 4.297 -4.724 -3.321 1.00 0.00 C ATOM 0 H MET A 15 3.231 -4.772 -7.826 1.00 0.00 H new ATOM 0 HA MET A 15 0.945 -3.458 -7.266 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.767 -2.386 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.347 -1.917 -5.962 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.117 -4.441 -5.374 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.758 -4.600 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.217 -4.503 -2.780 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.564 -5.147 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.507 -5.441 -4.115 1.00 0.00 H new ATOM 227 N GLU A 16 2.944 -1.504 -9.098 1.00 0.00 N ATOM 228 CA GLU A 16 2.915 -0.407 -10.056 1.00 0.00 C ATOM 229 C GLU A 16 2.054 -0.755 -11.277 1.00 0.00 C ATOM 230 O GLU A 16 1.411 0.118 -11.855 1.00 0.00 O ATOM 231 CB GLU A 16 4.356 -0.076 -10.471 1.00 0.00 C ATOM 232 CG GLU A 16 4.814 -0.907 -11.676 1.00 0.00 C ATOM 233 CD GLU A 16 6.323 -0.900 -11.850 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.003 -1.576 -11.041 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.797 -0.204 -12.773 1.00 0.00 O ATOM 0 H GLU A 16 3.882 -1.830 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 16 2.461 0.467 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.429 0.984 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.026 -0.257 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.470 -1.934 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.346 -0.518 -12.580 1.00 0.00 H new ATOM 242 N GLU A 17 2.028 -2.042 -11.641 1.00 0.00 N ATOM 243 CA GLU A 17 1.255 -2.514 -12.770 1.00 0.00 C ATOM 244 C GLU A 17 -0.237 -2.573 -12.423 1.00 0.00 C ATOM 245 O GLU A 17 -1.102 -2.620 -13.293 1.00 0.00 O ATOM 246 CB GLU A 17 1.760 -3.892 -13.220 1.00 0.00 C ATOM 247 CG GLU A 17 1.438 -4.104 -14.701 1.00 0.00 C ATOM 248 CD GLU A 17 1.120 -5.573 -15.000 1.00 0.00 C ATOM 249 OE1 GLU A 17 1.993 -6.426 -14.736 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.014 -5.865 -15.509 1.00 0.00 O ATOM 0 H GLU A 17 2.545 -2.775 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 17 1.382 -1.810 -13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.835 -3.966 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.293 -4.674 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.589 -3.482 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.284 -3.782 -15.308 1.00 0.00 H new ATOM 257 N ALA A 18 -0.560 -2.532 -11.138 1.00 0.00 N ATOM 258 CA ALA A 18 -1.890 -2.621 -10.624 1.00 0.00 C ATOM 259 C ALA A 18 -2.013 -1.761 -9.389 1.00 0.00 C ATOM 260 O ALA A 18 -2.449 -2.244 -8.347 1.00 0.00 O ATOM 261 CB ALA A 18 -2.259 -4.091 -10.351 1.00 0.00 C ATOM 0 H ALA A 18 0.141 -2.431 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.599 -2.246 -11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.275 -4.144 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.197 -4.660 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.567 -4.510 -9.621 1.00 0.00 H new ATOM 267 N GLU A 19 -1.633 -0.486 -9.482 1.00 0.00 N ATOM 268 CA GLU A 19 -1.598 0.466 -8.371 1.00 0.00 C ATOM 269 C GLU A 19 -2.899 0.394 -7.572 1.00 0.00 C ATOM 270 O GLU A 19 -3.928 1.008 -7.872 1.00 0.00 O ATOM 271 CB GLU A 19 -1.351 1.892 -8.872 1.00 0.00 C ATOM 272 CG GLU A 19 -1.864 2.078 -10.309 1.00 0.00 C ATOM 273 CD GLU A 19 -2.185 3.537 -10.608 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.960 4.110 -9.804 1.00 0.00 O ATOM 275 OE2 GLU A 19 -1.728 4.049 -11.650 1.00 0.00 O ATOM 0 H GLU A 19 -1.330 -0.073 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.769 0.195 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.848 2.603 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.284 2.113 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.113 1.719 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.757 1.471 -10.458 1.00 0.00 H new ATOM 282 N MET A 20 -2.904 -0.462 -6.558 1.00 0.00 N ATOM 283 CA MET A 20 -4.120 -0.777 -5.828 1.00 0.00 C ATOM 284 C MET A 20 -4.132 0.101 -4.599 1.00 0.00 C ATOM 285 O MET A 20 -5.188 0.478 -4.084 1.00 0.00 O ATOM 286 CB MET A 20 -4.157 -2.249 -5.414 1.00 0.00 C ATOM 287 CG MET A 20 -3.036 -2.581 -4.441 1.00 0.00 C ATOM 288 SD MET A 20 -1.980 -3.854 -5.054 1.00 0.00 S ATOM 289 CE MET A 20 -0.510 -2.898 -5.390 1.00 0.00 C ATOM 0 H MET A 20 -2.074 -0.951 -6.223 1.00 0.00 H new ATOM 0 HA MET A 20 -4.991 -0.599 -6.458 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.119 -2.475 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.071 -2.880 -6.299 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.447 -1.684 -4.247 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.464 -2.893 -3.488 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.365 -3.545 -5.336 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.579 -2.463 -6.387 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.418 -2.101 -4.652 1.00 0.00 H new ATOM 299 N LEU A 21 -2.935 0.506 -4.165 1.00 0.00 N ATOM 300 CA LEU A 21 -2.780 1.385 -3.065 1.00 0.00 C ATOM 301 C LEU A 21 -3.075 2.818 -3.499 1.00 0.00 C ATOM 302 O LEU A 21 -3.198 3.717 -2.694 1.00 0.00 O ATOM 303 CB LEU A 21 -1.379 1.232 -2.462 1.00 0.00 C ATOM 304 CG LEU A 21 -1.381 1.145 -0.936 1.00 0.00 C ATOM 305 CD1 LEU A 21 -0.191 1.852 -0.322 1.00 0.00 C ATOM 306 CD2 LEU A 21 -2.651 1.603 -0.224 1.00 0.00 C ATOM 0 H LEU A 21 -2.055 0.215 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.495 1.129 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.912 0.335 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.765 2.078 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.322 0.069 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.235 1.763 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.730 1.397 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.210 2.906 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.525 1.491 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.843 2.650 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.493 0.996 -0.555 1.00 0.00 H new ATOM 318 N ASN A 22 -3.389 3.035 -4.765 1.00 0.00 N ATOM 319 CA ASN A 22 -3.820 4.338 -5.243 1.00 0.00 C ATOM 320 C ASN A 22 -5.290 4.606 -4.850 1.00 0.00 C ATOM 321 O ASN A 22 -5.825 5.708 -4.950 1.00 0.00 O ATOM 322 CB ASN A 22 -3.611 4.389 -6.766 1.00 0.00 C ATOM 323 CG ASN A 22 -4.319 5.571 -7.409 1.00 0.00 C ATOM 324 OD1 ASN A 22 -5.272 5.422 -8.157 1.00 0.00 O ATOM 325 ND2 ASN A 22 -4.078 6.749 -6.864 1.00 0.00 N ATOM 0 H ASN A 22 -3.353 2.316 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.227 5.126 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.544 4.447 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.977 3.464 -7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.689 7.540 -7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.280 6.868 -6.240 1.00 0.00 H new ATOM 332 N HIS A 23 -5.981 3.589 -4.345 1.00 0.00 N ATOM 333 CA HIS A 23 -7.377 3.721 -4.016 1.00 0.00 C ATOM 334 C HIS A 23 -7.524 3.689 -2.512 1.00 0.00 C ATOM 335 O HIS A 23 -7.981 4.642 -1.895 1.00 0.00 O ATOM 336 CB HIS A 23 -8.185 2.634 -4.712 1.00 0.00 C ATOM 337 CG HIS A 23 -8.013 2.590 -6.214 1.00 0.00 C ATOM 338 ND1 HIS A 23 -9.025 2.821 -7.128 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.867 2.310 -6.917 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.517 2.647 -8.361 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.196 2.368 -8.254 1.00 0.00 N ATOM 0 H HIS A 23 -5.587 2.667 -4.158 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.770 4.673 -4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.901 1.666 -4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.241 2.781 -4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.895 2.087 -6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.072 2.718 -9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.553 2.225 -9.032 1.00 0.00 H new ATOM 350 N CYS A 24 -7.136 2.575 -1.903 1.00 0.00 N ATOM 351 CA CYS A 24 -7.171 2.473 -0.458 1.00 0.00 C ATOM 352 C CYS A 24 -6.191 3.458 0.167 1.00 0.00 C ATOM 353 O CYS A 24 -6.438 3.940 1.255 1.00 0.00 O ATOM 354 CB CYS A 24 -6.842 1.050 -0.030 1.00 0.00 C ATOM 355 SG CYS A 24 -8.278 -0.031 0.018 1.00 0.00 S ATOM 0 H CYS A 24 -6.798 1.742 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.174 2.721 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.105 0.633 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.380 1.073 0.957 1.00 0.00 H new ATOM 360 N GLY A 25 -5.147 3.830 -0.555 1.00 0.00 N ATOM 361 CA GLY A 25 -4.165 4.766 -0.103 1.00 0.00 C ATOM 362 C GLY A 25 -4.734 6.129 0.026 1.00 0.00 C ATOM 363 O GLY A 25 -4.659 6.622 1.127 1.00 0.00 O ATOM 0 H GLY A 25 -4.966 3.473 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.769 4.443 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.329 4.784 -0.802 1.00 0.00 H new ATOM 367 N MET A 26 -5.334 6.692 -1.021 1.00 0.00 N ATOM 368 CA MET A 26 -5.928 8.015 -0.986 1.00 0.00 C ATOM 369 C MET A 26 -6.795 8.192 0.235 1.00 0.00 C ATOM 370 O MET A 26 -6.688 9.219 0.849 1.00 0.00 O ATOM 371 CB MET A 26 -6.831 8.198 -2.181 1.00 0.00 C ATOM 372 CG MET A 26 -6.217 9.063 -3.259 1.00 0.00 C ATOM 373 SD MET A 26 -7.482 9.722 -4.363 1.00 0.00 S ATOM 374 CE MET A 26 -6.431 10.504 -5.587 1.00 0.00 C ATOM 0 H MET A 26 -5.419 6.231 -1.927 1.00 0.00 H new ATOM 0 HA MET A 26 -5.110 8.736 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.072 7.221 -2.600 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.770 8.645 -1.855 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.666 9.884 -2.801 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.498 8.478 -3.833 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.050 10.968 -6.355 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.817 11.266 -5.106 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.786 9.754 -6.045 1.00 0.00 H new ATOM 384 N TYR A 27 -7.599 7.204 0.622 1.00 0.00 N ATOM 385 CA TYR A 27 -8.377 7.232 1.850 1.00 0.00 C ATOM 386 C TYR A 27 -7.548 7.568 3.089 1.00 0.00 C ATOM 387 O TYR A 27 -7.961 8.362 3.927 1.00 0.00 O ATOM 388 CB TYR A 27 -8.999 5.851 2.013 1.00 0.00 C ATOM 389 CG TYR A 27 -9.750 5.632 3.297 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.018 6.196 3.448 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.182 4.879 4.337 1.00 0.00 C ATOM 392 CE1 TYR A 27 -11.722 6.009 4.656 1.00 0.00 C ATOM 393 CE2 TYR A 27 -9.879 4.690 5.549 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.148 5.265 5.702 1.00 0.00 C ATOM 395 OH TYR A 27 -11.837 5.106 6.855 1.00 0.00 O ATOM 0 H TYR A 27 -7.727 6.350 0.080 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.125 8.021 1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.679 5.676 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.209 5.104 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.457 6.771 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.203 4.441 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.705 6.439 4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.441 4.110 6.348 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.309 4.567 7.480 1.00 0.00 H new ATOM 405 N LEU A 28 -6.372 6.973 3.186 1.00 0.00 N ATOM 406 CA LEU A 28 -5.462 7.196 4.277 1.00 0.00 C ATOM 407 C LEU A 28 -4.568 8.393 3.991 1.00 0.00 C ATOM 408 O LEU A 28 -4.126 9.046 4.921 1.00 0.00 O ATOM 409 CB LEU A 28 -4.650 5.945 4.541 1.00 0.00 C ATOM 410 CG LEU A 28 -5.334 4.605 4.275 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.434 3.662 3.477 1.00 0.00 C ATOM 412 CD2 LEU A 28 -5.812 4.016 5.558 1.00 0.00 C ATOM 0 H LEU A 28 -6.024 6.311 2.492 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.034 7.422 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.748 5.992 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.331 5.962 5.583 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.210 4.770 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.954 2.719 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.188 4.118 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.517 3.475 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.299 3.061 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.964 3.860 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.523 4.695 6.028 1.00 0.00 H new ATOM 424 N MET A 29 -4.378 8.740 2.722 1.00 0.00 N ATOM 425 CA MET A 29 -3.634 9.864 2.231 1.00 0.00 C ATOM 426 C MET A 29 -4.505 11.086 2.047 1.00 0.00 C ATOM 427 O MET A 29 -4.041 12.064 1.497 1.00 0.00 O ATOM 428 CB MET A 29 -2.889 9.498 0.941 1.00 0.00 C ATOM 429 CG MET A 29 -1.395 9.790 1.060 1.00 0.00 C ATOM 430 SD MET A 29 -0.771 10.746 -0.329 1.00 0.00 S ATOM 431 CE MET A 29 -0.457 12.308 0.521 1.00 0.00 C ATOM 0 H MET A 29 -4.777 8.190 1.961 1.00 0.00 H new ATOM 0 HA MET A 29 -2.892 10.124 2.986 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.038 8.441 0.720 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.306 10.061 0.106 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.206 10.334 1.986 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.848 8.850 1.125 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.061 13.035 -0.188 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.388 12.685 0.945 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.267 12.148 1.320 1.00 0.00 H new ATOM 441 N LYS A 30 -5.744 11.045 2.522 1.00 0.00 N ATOM 442 CA LYS A 30 -6.694 12.120 2.345 1.00 0.00 C ATOM 443 C LYS A 30 -6.506 13.108 3.471 1.00 0.00 C ATOM 444 O LYS A 30 -6.788 14.283 3.306 1.00 0.00 O ATOM 445 CB LYS A 30 -8.134 11.575 2.310 1.00 0.00 C ATOM 446 CG LYS A 30 -8.953 12.301 1.233 1.00 0.00 C ATOM 447 CD LYS A 30 -9.524 11.313 0.206 1.00 0.00 C ATOM 448 CE LYS A 30 -10.248 12.069 -0.915 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.588 12.511 -0.463 1.00 0.00 N ATOM 0 H LYS A 30 -6.115 10.252 3.046 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.521 12.620 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.120 10.504 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.604 11.707 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.768 12.852 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.324 13.033 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.720 10.709 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.215 10.627 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.657 12.933 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.347 11.426 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.064 13.021 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.155 11.681 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.487 13.141 0.358 1.00 0.00 H new ATOM 463 N ASN A 31 -5.968 12.626 4.596 1.00 0.00 N ATOM 464 CA ASN A 31 -5.612 13.479 5.708 1.00 0.00 C ATOM 465 C ASN A 31 -4.113 13.741 5.770 1.00 0.00 C ATOM 466 O ASN A 31 -3.652 14.484 6.630 1.00 0.00 O ATOM 467 CB ASN A 31 -6.077 12.807 7.008 1.00 0.00 C ATOM 468 CG ASN A 31 -7.000 13.695 7.820 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.528 14.700 7.391 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.237 13.298 9.042 1.00 0.00 N ATOM 0 H ASN A 31 -5.772 11.637 4.750 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.103 14.443 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.591 11.876 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.207 12.545 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.868 13.833 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.791 12.453 9.399 1.00 0.00 H new ATOM 477 N LEU A 32 -3.349 13.040 4.932 1.00 0.00 N ATOM 478 CA LEU A 32 -1.914 13.232 4.871 1.00 0.00 C ATOM 479 C LEU A 32 -1.557 14.374 3.917 1.00 0.00 C ATOM 480 O LEU A 32 -0.435 14.874 3.939 1.00 0.00 O ATOM 481 CB LEU A 32 -1.258 11.921 4.458 1.00 0.00 C ATOM 482 CG LEU A 32 -1.424 10.832 5.518 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.026 9.519 4.888 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.569 11.113 6.751 1.00 0.00 C ATOM 0 H LEU A 32 -3.708 12.335 4.288 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.538 13.517 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.692 11.580 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.197 12.090 4.276 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.460 10.802 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.133 8.718 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.669 9.317 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.011 9.573 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.713 10.318 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.481 11.155 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.864 12.067 7.189 1.00 0.00 H new ATOM 496 N GLY A 33 -2.507 14.807 3.093 1.00 0.00 N ATOM 497 CA GLY A 33 -2.326 15.889 2.150 1.00 0.00 C ATOM 498 C GLY A 33 -3.086 15.636 0.863 1.00 0.00 C ATOM 499 O GLY A 33 -3.307 14.496 0.487 1.00 0.00 O ATOM 0 H GLY A 33 -3.443 14.401 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.666 16.823 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.265 16.008 1.930 1.00 0.00 H new ATOM 503 N GLU A 34 -3.375 16.695 0.123 1.00 0.00 N ATOM 504 CA GLU A 34 -4.115 16.585 -1.130 1.00 0.00 C ATOM 505 C GLU A 34 -3.230 17.064 -2.271 1.00 0.00 C ATOM 506 O GLU A 34 -3.351 18.191 -2.750 1.00 0.00 O ATOM 507 CB GLU A 34 -5.424 17.376 -1.048 1.00 0.00 C ATOM 508 CG GLU A 34 -6.321 17.016 -2.243 1.00 0.00 C ATOM 509 CD GLU A 34 -7.086 15.705 -1.993 1.00 0.00 C ATOM 510 OE1 GLU A 34 -7.627 15.517 -0.882 1.00 0.00 O ATOM 511 OE2 GLU A 34 -7.141 14.875 -2.926 1.00 0.00 O ATOM 0 H GLU A 34 -3.107 17.648 0.369 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.384 15.545 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.938 17.151 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.215 18.446 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.030 17.824 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.712 16.918 -3.141 1.00 0.00 H new ATOM 518 N ARG A 35 -2.247 16.250 -2.645 1.00 0.00 N ATOM 519 CA ARG A 35 -1.348 16.587 -3.745 1.00 0.00 C ATOM 520 C ARG A 35 -1.672 15.745 -4.954 1.00 0.00 C ATOM 521 O ARG A 35 -1.855 14.544 -4.811 1.00 0.00 O ATOM 522 CB ARG A 35 0.102 16.369 -3.309 1.00 0.00 C ATOM 523 CG ARG A 35 0.827 17.713 -3.214 1.00 0.00 C ATOM 524 CD ARG A 35 2.099 17.570 -2.372 1.00 0.00 C ATOM 525 NE ARG A 35 1.841 17.940 -0.967 1.00 0.00 N ATOM 526 CZ ARG A 35 1.819 19.174 -0.491 1.00 0.00 C ATOM 527 NH1 ARG A 35 2.066 20.195 -1.270 1.00 0.00 N ATOM 528 NH2 ARG A 35 1.566 19.397 0.770 1.00 0.00 N ATOM 0 H ARG A 35 -2.052 15.352 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.480 17.636 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.128 15.863 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.612 15.721 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.081 18.069 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.169 18.459 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.460 16.543 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.885 18.204 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 35 1.665 17.181 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.279 20.044 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.046 21.142 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.383 18.616 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.552 20.353 1.126 1.00 0.00 H new ATOM 542 N SER A 36 -1.649 16.356 -6.132 1.00 0.00 N ATOM 543 CA SER A 36 -1.875 15.649 -7.382 1.00 0.00 C ATOM 544 C SER A 36 -1.694 16.610 -8.539 1.00 0.00 C ATOM 545 O SER A 36 -2.069 17.778 -8.448 1.00 0.00 O ATOM 546 CB SER A 36 -3.297 15.070 -7.412 1.00 0.00 C ATOM 547 OG SER A 36 -3.328 13.925 -8.243 1.00 0.00 O ATOM 0 H SER A 36 -1.473 17.354 -6.246 1.00 0.00 H new ATOM 0 HA SER A 36 -1.159 14.831 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.615 14.808 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.997 15.819 -7.782 1.00 0.00 H new ATOM 0 HG SER A 36 -4.236 13.557 -8.259 1.00 0.00 H new ATOM 553 N GLN A 37 -1.129 16.121 -9.633 1.00 0.00 N ATOM 554 CA GLN A 37 -0.913 16.938 -10.813 1.00 0.00 C ATOM 555 C GLN A 37 -1.245 16.136 -12.053 1.00 0.00 C ATOM 556 O GLN A 37 -0.514 15.223 -12.421 1.00 0.00 O ATOM 557 CB GLN A 37 0.532 17.427 -10.853 1.00 0.00 C ATOM 558 CG GLN A 37 0.764 18.314 -12.090 1.00 0.00 C ATOM 559 CD GLN A 37 2.129 18.100 -12.733 1.00 0.00 C ATOM 560 OE1 GLN A 37 2.954 17.297 -12.348 1.00 0.00 O ATOM 561 NE2 GLN A 37 2.405 18.843 -13.775 1.00 0.00 N ATOM 0 H GLN A 37 -0.811 15.156 -9.726 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.566 17.810 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.758 17.989 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.211 16.574 -10.876 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.013 18.110 -12.826 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.665 19.361 -11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.723 19.523 -14.112 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.302 18.742 -14.250 1.00 0.00 H new ATOM 570 N VAL A 38 -2.356 16.476 -12.691 1.00 0.00 N ATOM 571 CA VAL A 38 -2.787 15.825 -13.920 1.00 0.00 C ATOM 572 C VAL A 38 -3.881 16.650 -14.574 1.00 0.00 C ATOM 573 O VAL A 38 -4.414 17.558 -13.939 1.00 0.00 O ATOM 574 CB VAL A 38 -3.229 14.382 -13.590 1.00 0.00 C ATOM 575 CG1 VAL A 38 -4.609 14.326 -12.930 1.00 0.00 C ATOM 576 CG2 VAL A 38 -3.166 13.504 -14.839 1.00 0.00 C ATOM 0 H VAL A 38 -2.985 17.212 -12.370 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.971 15.760 -14.640 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.527 13.987 -12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.870 13.289 -12.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.590 14.891 -11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.351 14.758 -13.601 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.481 12.491 -14.588 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.828 13.911 -15.603 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.144 13.483 -15.218 1.00 0.00 H new ATOM 586 N SER A 39 -4.248 16.302 -15.805 1.00 0.00 N ATOM 587 CA SER A 39 -5.315 16.978 -16.536 1.00 0.00 C ATOM 588 C SER A 39 -6.428 15.988 -16.863 1.00 0.00 C ATOM 589 O SER A 39 -6.521 15.477 -17.983 1.00 0.00 O ATOM 590 CB SER A 39 -4.755 17.637 -17.789 1.00 0.00 C ATOM 591 OG SER A 39 -4.379 18.970 -17.511 1.00 0.00 O ATOM 0 H SER A 39 -3.812 15.540 -16.325 1.00 0.00 H new ATOM 0 HA SER A 39 -5.742 17.765 -15.915 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.893 17.076 -18.150 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.502 17.620 -18.583 1.00 0.00 H new ATOM 0 HG SER A 39 -4.019 19.384 -18.323 1.00 0.00 H new ATOM 597 N PRO A 40 -7.265 15.636 -15.870 1.00 0.00 N ATOM 598 CA PRO A 40 -8.353 14.698 -16.058 1.00 0.00 C ATOM 599 C PRO A 40 -9.469 15.370 -16.838 1.00 0.00 C ATOM 600 O PRO A 40 -10.394 15.908 -16.236 1.00 0.00 O ATOM 601 CB PRO A 40 -8.804 14.266 -14.657 1.00 0.00 C ATOM 602 CG PRO A 40 -8.250 15.328 -13.699 1.00 0.00 C ATOM 603 CD PRO A 40 -7.247 16.143 -14.506 1.00 0.00 C ATOM 0 HA PRO A 40 -8.052 13.822 -16.632 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.891 14.211 -14.595 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.420 13.276 -14.409 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.049 15.962 -13.316 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.771 14.863 -12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.509 17.201 -14.487 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.249 16.055 -14.078 1.00 0.00 H new ATOM 611 N ARG A 41 -9.403 15.272 -18.179 1.00 0.00 N ATOM 612 CA ARG A 41 -10.380 15.884 -19.072 1.00 0.00 C ATOM 613 C ARG A 41 -11.770 15.651 -18.522 1.00 0.00 C ATOM 614 O ARG A 41 -12.445 16.606 -18.171 1.00 0.00 O ATOM 615 CB ARG A 41 -10.254 15.308 -20.484 1.00 0.00 C ATOM 616 CG ARG A 41 -10.943 16.231 -21.499 1.00 0.00 C ATOM 617 CD ARG A 41 -9.959 16.645 -22.591 1.00 0.00 C ATOM 618 NE ARG A 41 -10.648 16.883 -23.866 1.00 0.00 N ATOM 619 CZ ARG A 41 -10.111 17.429 -24.941 1.00 0.00 C ATOM 620 NH1 ARG A 41 -8.862 17.809 -24.941 1.00 0.00 N ATOM 621 NH2 ARG A 41 -10.818 17.590 -26.025 1.00 0.00 N ATOM 0 H ARG A 41 -8.665 14.763 -18.666 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.192 16.956 -19.132 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.202 15.191 -20.744 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.703 14.316 -20.521 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.797 15.720 -21.944 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.329 17.116 -20.993 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.432 17.549 -22.285 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.207 15.866 -22.721 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.627 16.602 -23.926 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.291 17.685 -24.105 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.457 18.230 -25.777 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.794 17.293 -26.046 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.395 18.013 -26.851 1.00 0.00 H new ATOM 635 N MET A 42 -12.157 14.375 -18.443 1.00 0.00 N ATOM 636 CA MET A 42 -13.471 14.002 -17.955 1.00 0.00 C ATOM 637 C MET A 42 -13.435 12.660 -17.274 1.00 0.00 C ATOM 638 O MET A 42 -13.439 11.655 -17.981 1.00 0.00 O ATOM 639 CB MET A 42 -14.463 13.942 -19.120 1.00 0.00 C ATOM 640 CG MET A 42 -14.391 15.186 -19.990 1.00 0.00 C ATOM 641 SD MET A 42 -15.824 15.401 -21.041 1.00 0.00 S ATOM 642 CE MET A 42 -15.171 14.668 -22.546 1.00 0.00 C ATOM 0 H MET A 42 -11.570 13.586 -18.714 1.00 0.00 H new ATOM 0 HA MET A 42 -13.787 14.756 -17.233 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.256 13.061 -19.728 1.00 0.00 H new ATOM 0 HB3 MET A 42 -15.475 13.830 -18.730 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.284 16.062 -19.350 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.498 15.134 -20.612 1.00 0.00 H new ATOM 0 HE1 MET A 42 -15.928 14.709 -23.329 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.288 15.221 -22.866 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.900 13.629 -22.357 1.00 0.00 H new ATOM 652 N ARG A 43 -13.314 12.633 -15.955 1.00 0.00 N ATOM 653 CA ARG A 43 -13.305 11.396 -15.184 1.00 0.00 C ATOM 654 C ARG A 43 -13.514 11.712 -13.729 1.00 0.00 C ATOM 655 O ARG A 43 -13.280 12.849 -13.335 1.00 0.00 O ATOM 656 CB ARG A 43 -11.950 10.695 -15.366 1.00 0.00 C ATOM 657 CG ARG A 43 -12.089 9.482 -16.298 1.00 0.00 C ATOM 658 CD ARG A 43 -11.015 9.494 -17.406 1.00 0.00 C ATOM 659 NE ARG A 43 -11.545 9.851 -18.734 1.00 0.00 N ATOM 660 CZ ARG A 43 -12.370 9.118 -19.460 1.00 0.00 C ATOM 661 NH1 ARG A 43 -12.668 7.902 -19.095 1.00 0.00 N ATOM 662 NH2 ARG A 43 -12.885 9.580 -20.569 1.00 0.00 N ATOM 0 H ARG A 43 -13.219 13.473 -15.385 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.105 10.742 -15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.224 11.396 -15.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.568 10.374 -14.397 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.004 8.564 -15.717 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.080 9.482 -16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.232 10.201 -17.134 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.550 8.510 -17.462 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.248 10.744 -19.128 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.263 7.511 -18.244 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.306 7.342 -19.660 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.652 10.521 -20.887 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.520 9.000 -21.117 1.00 0.00 H new ATOM 676 N GLU A 44 -13.861 10.696 -12.958 1.00 0.00 N ATOM 677 CA GLU A 44 -14.054 10.832 -11.523 1.00 0.00 C ATOM 678 C GLU A 44 -14.393 9.482 -10.927 1.00 0.00 C ATOM 679 O GLU A 44 -14.784 8.587 -11.677 1.00 0.00 O ATOM 680 CB GLU A 44 -15.192 11.817 -11.226 1.00 0.00 C ATOM 681 CG GLU A 44 -15.039 12.423 -9.830 1.00 0.00 C ATOM 682 CD GLU A 44 -15.972 11.740 -8.830 1.00 0.00 C ATOM 683 OE1 GLU A 44 -17.162 11.552 -9.160 1.00 0.00 O ATOM 684 OE2 GLU A 44 -15.458 11.386 -7.753 1.00 0.00 O ATOM 0 H GLU A 44 -14.017 9.751 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.133 11.211 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.195 12.611 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.151 11.304 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.006 12.321 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.258 13.490 -9.867 1.00 0.00 H new ATOM 691 N GLU A 45 -14.192 9.339 -9.621 1.00 0.00 N ATOM 692 CA GLU A 45 -14.532 8.142 -8.878 1.00 0.00 C ATOM 693 C GLU A 45 -14.139 8.304 -7.413 1.00 0.00 C ATOM 694 O GLU A 45 -13.294 9.127 -7.054 1.00 0.00 O ATOM 695 CB GLU A 45 -13.806 6.929 -9.505 1.00 0.00 C ATOM 696 CG GLU A 45 -14.832 5.889 -9.975 1.00 0.00 C ATOM 697 CD GLU A 45 -14.165 4.853 -10.890 1.00 0.00 C ATOM 698 OE1 GLU A 45 -13.412 4.006 -10.338 1.00 0.00 O ATOM 699 OE2 GLU A 45 -14.381 4.909 -12.122 1.00 0.00 O ATOM 0 H GLU A 45 -13.779 10.070 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.608 7.977 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.195 7.256 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.131 6.482 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.274 5.390 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.644 6.385 -10.508 1.00 0.00 H new ATOM 706 N ASP A 46 -14.624 7.392 -6.576 1.00 0.00 N ATOM 707 CA ASP A 46 -14.316 7.404 -5.155 1.00 0.00 C ATOM 708 C ASP A 46 -13.770 6.061 -4.728 1.00 0.00 C ATOM 709 O ASP A 46 -13.998 5.043 -5.373 1.00 0.00 O ATOM 710 CB ASP A 46 -15.572 7.726 -4.341 1.00 0.00 C ATOM 711 CG ASP A 46 -15.259 8.488 -3.045 1.00 0.00 C ATOM 712 OD1 ASP A 46 -14.056 8.607 -2.676 1.00 0.00 O ATOM 713 OD2 ASP A 46 -16.231 8.814 -2.335 1.00 0.00 O ATOM 0 H ASP A 46 -15.237 6.630 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.565 8.173 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.253 8.319 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.089 6.798 -4.096 1.00 0.00 H new ATOM 718 N HIS A 47 -13.027 6.008 -3.632 1.00 0.00 N ATOM 719 CA HIS A 47 -12.526 4.740 -3.106 1.00 0.00 C ATOM 720 C HIS A 47 -13.491 4.183 -2.106 1.00 0.00 C ATOM 721 O HIS A 47 -14.412 4.890 -1.747 1.00 0.00 O ATOM 722 CB HIS A 47 -11.150 4.959 -2.505 1.00 0.00 C ATOM 723 CG HIS A 47 -10.275 5.700 -3.477 1.00 0.00 C ATOM 724 ND1 HIS A 47 -10.215 5.487 -4.843 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.413 6.703 -3.170 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.310 6.338 -5.361 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.788 7.055 -4.348 1.00 0.00 N ATOM 0 H HIS A 47 -12.756 6.827 -3.087 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.434 4.009 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.236 5.524 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.697 4.000 -2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.249 7.139 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.049 6.430 -6.405 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.047 7.750 -4.438 1.00 0.00 H new ATOM 736 N LYS A 48 -13.232 2.966 -1.610 1.00 0.00 N ATOM 737 CA LYS A 48 -14.049 2.253 -0.624 1.00 0.00 C ATOM 738 C LYS A 48 -13.702 0.777 -0.599 1.00 0.00 C ATOM 739 O LYS A 48 -13.463 0.232 0.466 1.00 0.00 O ATOM 740 CB LYS A 48 -15.551 2.462 -0.914 1.00 0.00 C ATOM 741 CG LYS A 48 -16.129 3.500 0.067 1.00 0.00 C ATOM 742 CD LYS A 48 -16.549 2.827 1.372 1.00 0.00 C ATOM 743 CE LYS A 48 -15.676 3.301 2.544 1.00 0.00 C ATOM 744 NZ LYS A 48 -16.425 4.251 3.395 1.00 0.00 N ATOM 0 H LYS A 48 -12.413 2.431 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.831 2.664 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.689 2.801 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.085 1.517 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.385 4.270 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.987 3.998 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.595 3.051 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.469 1.745 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.357 2.444 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.773 3.778 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.821 4.562 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.708 5.076 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.274 3.784 3.773 1.00 0.00 H new ATOM 758 N GLN A 49 -13.557 0.182 -1.780 1.00 0.00 N ATOM 759 CA GLN A 49 -13.187 -1.221 -1.917 1.00 0.00 C ATOM 760 C GLN A 49 -12.542 -1.481 -3.277 1.00 0.00 C ATOM 761 O GLN A 49 -12.577 -2.582 -3.810 1.00 0.00 O ATOM 762 CB GLN A 49 -14.428 -2.102 -1.685 1.00 0.00 C ATOM 763 CG GLN A 49 -14.180 -3.041 -0.500 1.00 0.00 C ATOM 764 CD GLN A 49 -15.236 -4.127 -0.418 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.413 -3.900 -0.618 1.00 0.00 O ATOM 766 NE2 GLN A 49 -14.811 -5.349 -0.179 1.00 0.00 N ATOM 0 H GLN A 49 -13.693 0.661 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.443 -1.478 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.299 -1.476 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.647 -2.682 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.195 -3.497 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.176 -2.466 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.819 -5.521 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.473 -6.125 -0.159 1.00 0.00 H new ATOM 775 N LEU A 50 -11.940 -0.445 -3.860 1.00 0.00 N ATOM 776 CA LEU A 50 -11.303 -0.561 -5.154 1.00 0.00 C ATOM 777 C LEU A 50 -9.973 -1.291 -5.008 1.00 0.00 C ATOM 778 O LEU A 50 -9.703 -2.215 -5.745 1.00 0.00 O ATOM 779 CB LEU A 50 -11.049 0.824 -5.720 1.00 0.00 C ATOM 780 CG LEU A 50 -12.194 1.329 -6.610 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.268 2.852 -6.495 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.986 0.912 -8.067 1.00 0.00 C ATOM 0 H LEU A 50 -11.885 0.486 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.955 -1.120 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.899 1.524 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.126 0.810 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.131 0.885 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.077 3.225 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.455 3.130 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.324 3.288 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.812 1.284 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.049 1.330 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.948 -0.175 -8.132 1.00 0.00 H new ATOM 794 N CYS A 51 -9.146 -0.938 -4.023 1.00 0.00 N ATOM 795 CA CYS A 51 -7.914 -1.660 -3.766 1.00 0.00 C ATOM 796 C CYS A 51 -8.206 -3.116 -3.458 1.00 0.00 C ATOM 797 O CYS A 51 -7.507 -3.953 -3.995 1.00 0.00 O ATOM 798 CB CYS A 51 -7.176 -1.046 -2.586 1.00 0.00 C ATOM 799 SG CYS A 51 -7.550 -1.651 -0.914 1.00 0.00 S ATOM 0 H CYS A 51 -9.314 -0.154 -3.393 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.294 -1.594 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.108 -1.183 -2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.366 0.027 -2.599 1.00 0.00 H new ATOM 804 N CYS A 52 -9.287 -3.402 -2.723 1.00 0.00 N ATOM 805 CA CYS A 52 -9.704 -4.763 -2.440 1.00 0.00 C ATOM 806 C CYS A 52 -9.981 -5.528 -3.743 1.00 0.00 C ATOM 807 O CYS A 52 -9.969 -6.748 -3.767 1.00 0.00 O ATOM 808 CB CYS A 52 -10.953 -4.746 -1.552 1.00 0.00 C ATOM 809 SG CYS A 52 -11.062 -6.078 -0.341 1.00 0.00 S ATOM 0 H CYS A 52 -9.891 -2.690 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.899 -5.275 -1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.989 -3.794 -1.023 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.834 -4.788 -2.193 1.00 0.00 H new ATOM 814 N MET A 53 -10.204 -4.807 -4.840 1.00 0.00 N ATOM 815 CA MET A 53 -10.390 -5.340 -6.161 1.00 0.00 C ATOM 816 C MET A 53 -9.055 -5.652 -6.828 1.00 0.00 C ATOM 817 O MET A 53 -8.809 -6.788 -7.196 1.00 0.00 O ATOM 818 CB MET A 53 -11.151 -4.329 -7.021 1.00 0.00 C ATOM 819 CG MET A 53 -11.939 -5.036 -8.107 1.00 0.00 C ATOM 820 SD MET A 53 -11.856 -4.152 -9.678 1.00 0.00 S ATOM 821 CE MET A 53 -10.163 -4.594 -10.152 1.00 0.00 C ATOM 0 H MET A 53 -10.260 -3.789 -4.816 1.00 0.00 H new ATOM 0 HA MET A 53 -10.958 -6.266 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.827 -3.747 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.450 -3.627 -7.472 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.552 -6.047 -8.238 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.980 -5.131 -7.798 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.878 -4.038 -11.045 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.481 -4.347 -9.338 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.110 -5.663 -10.358 1.00 0.00 H new ATOM 831 N GLN A 54 -8.187 -4.660 -7.015 1.00 0.00 N ATOM 832 CA GLN A 54 -6.904 -4.887 -7.664 1.00 0.00 C ATOM 833 C GLN A 54 -6.043 -5.851 -6.860 1.00 0.00 C ATOM 834 O GLN A 54 -5.409 -6.724 -7.425 1.00 0.00 O ATOM 835 CB GLN A 54 -6.152 -3.572 -7.788 1.00 0.00 C ATOM 836 CG GLN A 54 -6.639 -2.777 -8.992 1.00 0.00 C ATOM 837 CD GLN A 54 -6.889 -1.322 -8.642 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.630 -0.963 -7.737 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.281 -0.432 -9.380 1.00 0.00 N ATOM 0 H GLN A 54 -8.351 -3.695 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.101 -5.314 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.288 -2.984 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.084 -3.767 -7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.900 -2.837 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.558 -3.222 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.663 -0.731 -10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.424 0.562 -9.202 1.00 0.00 H new ATOM 848 N LEU A 55 -6.054 -5.737 -5.537 1.00 0.00 N ATOM 849 CA LEU A 55 -5.355 -6.659 -4.674 1.00 0.00 C ATOM 850 C LEU A 55 -5.898 -8.076 -4.814 1.00 0.00 C ATOM 851 O LEU A 55 -5.127 -9.017 -4.798 1.00 0.00 O ATOM 852 CB LEU A 55 -5.499 -6.219 -3.228 1.00 0.00 C ATOM 853 CG LEU A 55 -4.444 -5.220 -2.743 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.088 -3.998 -2.067 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.404 -5.873 -1.826 1.00 0.00 C ATOM 0 H LEU A 55 -6.551 -4.998 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.306 -6.658 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.485 -5.774 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.460 -7.102 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.916 -4.871 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.308 -3.312 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.740 -3.491 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.673 -4.324 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.678 -5.125 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.902 -6.290 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.892 -6.669 -2.366 1.00 0.00 H new ATOM 867 N LYS A 56 -7.200 -8.235 -5.048 1.00 0.00 N ATOM 868 CA LYS A 56 -7.759 -9.541 -5.378 1.00 0.00 C ATOM 869 C LYS A 56 -7.178 -10.118 -6.684 1.00 0.00 C ATOM 870 O LYS A 56 -7.309 -11.305 -6.956 1.00 0.00 O ATOM 871 CB LYS A 56 -9.288 -9.433 -5.408 1.00 0.00 C ATOM 872 CG LYS A 56 -9.958 -10.755 -5.790 1.00 0.00 C ATOM 873 CD LYS A 56 -11.112 -11.084 -4.856 1.00 0.00 C ATOM 874 CE LYS A 56 -12.192 -11.862 -5.608 1.00 0.00 C ATOM 875 NZ LYS A 56 -13.525 -11.526 -5.064 1.00 0.00 N ATOM 0 H LYS A 56 -7.883 -7.478 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.473 -10.255 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.647 -9.117 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.581 -8.661 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.323 -10.696 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.223 -11.559 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.751 -11.672 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.533 -10.165 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.152 -11.622 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.012 -12.933 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.255 -12.058 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.562 -11.777 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.698 -10.506 -5.174 1.00 0.00 H new ATOM 889 N ASN A 57 -6.573 -9.277 -7.507 1.00 0.00 N ATOM 890 CA ASN A 57 -5.865 -9.714 -8.683 1.00 0.00 C ATOM 891 C ASN A 57 -4.393 -10.009 -8.415 1.00 0.00 C ATOM 892 O ASN A 57 -3.747 -10.644 -9.243 1.00 0.00 O ATOM 893 CB ASN A 57 -5.961 -8.608 -9.745 1.00 0.00 C ATOM 894 CG ASN A 57 -6.682 -9.063 -10.987 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.867 -10.227 -11.278 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.203 -8.119 -11.728 1.00 0.00 N ATOM 0 H ASN A 57 -6.564 -8.266 -7.370 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.325 -10.643 -9.020 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.479 -7.747 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.957 -8.277 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.762 -8.363 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.051 -7.139 -11.488 1.00 0.00 H new ATOM 903 N LEU A 58 -3.840 -9.437 -7.343 1.00 0.00 N ATOM 904 CA LEU A 58 -2.477 -9.686 -6.942 1.00 0.00 C ATOM 905 C LEU A 58 -2.261 -11.161 -6.594 1.00 0.00 C ATOM 906 O LEU A 58 -3.176 -11.983 -6.578 1.00 0.00 O ATOM 907 CB LEU A 58 -2.086 -8.742 -5.782 1.00 0.00 C ATOM 908 CG LEU A 58 -1.166 -7.605 -6.207 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.820 -6.752 -4.991 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.121 -8.150 -6.805 1.00 0.00 C ATOM 0 H LEU A 58 -4.337 -8.787 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.816 -9.470 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.992 -8.322 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.595 -9.323 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.682 -7.006 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.162 -5.938 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.734 -6.340 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.317 -7.368 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.764 -7.321 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.636 -8.761 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.113 -8.759 -7.678 1.00 0.00 H new ATOM 922 N ASP A 59 -1.019 -11.495 -6.281 1.00 0.00 N ATOM 923 CA ASP A 59 -0.688 -12.859 -5.956 1.00 0.00 C ATOM 924 C ASP A 59 -1.136 -13.104 -4.534 1.00 0.00 C ATOM 925 O ASP A 59 -0.756 -12.345 -3.644 1.00 0.00 O ATOM 926 CB ASP A 59 0.825 -13.085 -6.109 1.00 0.00 C ATOM 927 CG ASP A 59 1.202 -14.325 -6.913 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.307 -14.956 -7.505 1.00 0.00 O ATOM 929 OD2 ASP A 59 2.392 -14.706 -6.817 1.00 0.00 O ATOM 0 H ASP A 59 -0.236 -10.842 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.188 -13.555 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.263 -12.210 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.270 -13.162 -5.117 1.00 0.00 H new ATOM 934 N GLU A 60 -1.832 -14.207 -4.273 1.00 0.00 N ATOM 935 CA GLU A 60 -2.250 -14.562 -2.918 1.00 0.00 C ATOM 936 C GLU A 60 -1.044 -14.795 -2.001 1.00 0.00 C ATOM 937 O GLU A 60 -1.138 -14.708 -0.780 1.00 0.00 O ATOM 938 CB GLU A 60 -3.106 -15.834 -2.955 1.00 0.00 C ATOM 939 CG GLU A 60 -4.424 -15.609 -2.206 1.00 0.00 C ATOM 940 CD GLU A 60 -4.927 -16.916 -1.594 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.680 -17.638 -2.285 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.522 -17.200 -0.444 1.00 0.00 O ATOM 0 H GLU A 60 -2.121 -14.876 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.830 -13.729 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.310 -16.113 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.560 -16.662 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.280 -14.866 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.173 -15.210 -2.890 1.00 0.00 H new ATOM 949 N LYS A 61 0.132 -15.012 -2.598 1.00 0.00 N ATOM 950 CA LYS A 61 1.391 -15.120 -1.886 1.00 0.00 C ATOM 951 C LYS A 61 2.217 -13.834 -1.926 1.00 0.00 C ATOM 952 O LYS A 61 3.327 -13.794 -1.407 1.00 0.00 O ATOM 953 CB LYS A 61 2.155 -16.313 -2.454 1.00 0.00 C ATOM 954 CG LYS A 61 1.734 -17.592 -1.715 1.00 0.00 C ATOM 955 CD LYS A 61 2.806 -18.676 -1.878 1.00 0.00 C ATOM 956 CE LYS A 61 2.197 -19.956 -2.453 1.00 0.00 C ATOM 957 NZ LYS A 61 3.251 -20.966 -2.693 1.00 0.00 N ATOM 0 H LYS A 61 0.228 -15.118 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 61 1.185 -15.279 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.953 -16.413 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.228 -16.155 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.583 -17.376 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.782 -17.950 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.597 -18.316 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.266 -18.888 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.453 -20.354 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.679 -19.733 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.822 -21.829 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.946 -20.589 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.727 -21.191 -1.796 1.00 0.00 H new ATOM 971 N CYS A 62 1.675 -12.776 -2.509 1.00 0.00 N ATOM 972 CA CYS A 62 2.237 -11.447 -2.563 1.00 0.00 C ATOM 973 C CYS A 62 1.404 -10.489 -1.704 1.00 0.00 C ATOM 974 O CYS A 62 1.794 -9.358 -1.430 1.00 0.00 O ATOM 975 CB CYS A 62 2.302 -10.979 -4.011 1.00 0.00 C ATOM 976 SG CYS A 62 3.596 -11.731 -5.034 1.00 0.00 S ATOM 0 H CYS A 62 0.775 -12.833 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 62 3.250 -11.461 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.337 -11.175 -4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.445 -9.898 -4.016 1.00 0.00 H new ATOM 981 N MET A 63 0.309 -10.950 -1.134 1.00 0.00 N ATOM 982 CA MET A 63 -0.532 -10.129 -0.312 1.00 0.00 C ATOM 983 C MET A 63 -0.070 -10.194 1.127 1.00 0.00 C ATOM 984 O MET A 63 -0.688 -10.851 1.937 1.00 0.00 O ATOM 985 CB MET A 63 -1.963 -10.610 -0.446 1.00 0.00 C ATOM 986 CG MET A 63 -2.467 -10.569 -1.868 1.00 0.00 C ATOM 987 SD MET A 63 -4.213 -10.197 -1.975 1.00 0.00 S ATOM 988 CE MET A 63 -4.881 -11.841 -1.626 1.00 0.00 C ATOM 0 H MET A 63 -0.017 -11.911 -1.234 1.00 0.00 H new ATOM 0 HA MET A 63 -0.474 -9.090 -0.635 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.034 -11.631 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.608 -9.994 0.180 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.906 -9.819 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.275 -11.531 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.928 -11.754 -1.335 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.802 -12.463 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.316 -12.299 -0.814 1.00 0.00 H new ATOM 998 N CYS A 64 1.020 -9.527 1.477 1.00 0.00 N ATOM 999 CA CYS A 64 1.639 -9.595 2.797 1.00 0.00 C ATOM 1000 C CYS A 64 3.102 -9.233 2.685 1.00 0.00 C ATOM 1001 O CYS A 64 3.514 -8.236 3.271 1.00 0.00 O ATOM 1002 CB CYS A 64 1.497 -10.952 3.525 1.00 0.00 C ATOM 1003 SG CYS A 64 2.902 -11.481 4.577 1.00 0.00 S ATOM 0 H CYS A 64 1.513 -8.906 0.835 1.00 0.00 H new ATOM 0 HA CYS A 64 1.092 -8.880 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.604 -10.911 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.326 -11.723 2.774 1.00 0.00 H new ATOM 1008 N PRO A 65 3.863 -9.994 1.878 1.00 0.00 N ATOM 1009 CA PRO A 65 5.281 -9.751 1.702 1.00 0.00 C ATOM 1010 C PRO A 65 5.509 -8.568 0.770 1.00 0.00 C ATOM 1011 O PRO A 65 6.450 -7.804 0.939 1.00 0.00 O ATOM 1012 CB PRO A 65 5.843 -11.042 1.102 1.00 0.00 C ATOM 1013 CG PRO A 65 4.654 -11.822 0.539 1.00 0.00 C ATOM 1014 CD PRO A 65 3.422 -11.155 1.109 1.00 0.00 C ATOM 0 HA PRO A 65 5.773 -9.501 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.567 -10.821 0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.364 -11.626 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.647 -11.793 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.701 -12.872 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.747 -10.850 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.871 -11.848 1.745 1.00 0.00 H new ATOM 1022 N ALA A 66 4.612 -8.370 -0.193 1.00 0.00 N ATOM 1023 CA ALA A 66 4.694 -7.263 -1.094 1.00 0.00 C ATOM 1024 C ALA A 66 4.180 -6.019 -0.415 1.00 0.00 C ATOM 1025 O ALA A 66 4.772 -4.979 -0.611 1.00 0.00 O ATOM 1026 CB ALA A 66 3.872 -7.578 -2.322 1.00 0.00 C ATOM 0 H ALA A 66 3.813 -8.983 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 66 5.729 -7.090 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.925 -6.742 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.263 -8.476 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.834 -7.744 -2.032 1.00 0.00 H new ATOM 1032 N ILE A 67 3.140 -6.109 0.415 1.00 0.00 N ATOM 1033 CA ILE A 67 2.598 -4.965 1.143 1.00 0.00 C ATOM 1034 C ILE A 67 3.723 -4.088 1.720 1.00 0.00 C ATOM 1035 O ILE A 67 3.618 -2.864 1.756 1.00 0.00 O ATOM 1036 CB ILE A 67 1.677 -5.464 2.260 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.344 -5.971 1.662 1.00 0.00 C ATOM 1038 CG2 ILE A 67 1.492 -4.368 3.327 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -0.782 -4.961 1.820 1.00 0.00 C ATOM 0 H ILE A 67 2.649 -6.983 0.601 1.00 0.00 H new ATOM 0 HA ILE A 67 2.025 -4.348 0.450 1.00 0.00 H new ATOM 0 HB ILE A 67 2.133 -6.314 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.484 -6.193 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.062 -6.905 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.835 -4.735 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.461 -4.108 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.049 -3.484 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.696 -5.364 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.943 -4.759 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.515 -4.035 1.310 1.00 0.00 H new ATOM 1051 N MET A 68 4.808 -4.721 2.163 1.00 0.00 N ATOM 1052 CA MET A 68 5.994 -4.019 2.590 1.00 0.00 C ATOM 1053 C MET A 68 6.504 -3.034 1.548 1.00 0.00 C ATOM 1054 O MET A 68 6.437 -1.831 1.798 1.00 0.00 O ATOM 1055 CB MET A 68 7.090 -5.022 2.934 1.00 0.00 C ATOM 1056 CG MET A 68 7.557 -4.815 4.360 1.00 0.00 C ATOM 1057 SD MET A 68 8.941 -5.914 4.711 1.00 0.00 S ATOM 1058 CE MET A 68 8.882 -5.898 6.510 1.00 0.00 C ATOM 0 H MET A 68 4.879 -5.736 2.232 1.00 0.00 H new ATOM 0 HA MET A 68 5.723 -3.438 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.716 -6.038 2.810 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.929 -4.905 2.248 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.857 -3.778 4.508 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.739 -5.012 5.053 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.676 -6.532 6.906 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.019 -4.878 6.869 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.916 -6.275 6.846 1.00 0.00 H new ATOM 1068 N MET A 69 6.898 -3.550 0.379 1.00 0.00 N ATOM 1069 CA MET A 69 7.336 -2.741 -0.728 1.00 0.00 C ATOM 1070 C MET A 69 6.268 -1.790 -1.252 1.00 0.00 C ATOM 1071 O MET A 69 6.589 -0.727 -1.775 1.00 0.00 O ATOM 1072 CB MET A 69 7.771 -3.662 -1.858 1.00 0.00 C ATOM 1073 CG MET A 69 9.169 -4.219 -1.611 1.00 0.00 C ATOM 1074 SD MET A 69 10.402 -2.900 -1.558 1.00 0.00 S ATOM 1075 CE MET A 69 11.877 -3.871 -1.271 1.00 0.00 C ATOM 0 H MET A 69 6.916 -4.552 0.188 1.00 0.00 H new ATOM 0 HA MET A 69 8.157 -2.122 -0.366 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.061 -4.484 -1.954 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.756 -3.116 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.182 -4.770 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.425 -4.927 -2.399 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.758 -3.243 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.862 -4.264 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.911 -4.699 -1.979 1.00 0.00 H new ATOM 1085 N MET A 70 5.004 -2.141 -1.057 1.00 0.00 N ATOM 1086 CA MET A 70 3.903 -1.289 -1.461 1.00 0.00 C ATOM 1087 C MET A 70 3.984 0.058 -0.768 1.00 0.00 C ATOM 1088 O MET A 70 3.532 1.065 -1.287 1.00 0.00 O ATOM 1089 CB MET A 70 2.578 -1.991 -1.136 1.00 0.00 C ATOM 1090 CG MET A 70 1.500 -1.073 -0.621 1.00 0.00 C ATOM 1091 SD MET A 70 0.091 -1.943 0.058 1.00 0.00 S ATOM 1092 CE MET A 70 -0.379 -0.801 1.381 1.00 0.00 C ATOM 0 H MET A 70 4.719 -3.016 -0.618 1.00 0.00 H new ATOM 0 HA MET A 70 3.960 -1.111 -2.535 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.215 -2.490 -2.034 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.764 -2.767 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.922 -0.424 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.163 -0.429 -1.433 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.255 -1.292 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.255 0.084 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.421 -0.507 1.255 1.00 0.00 H new ATOM 1102 N LEU A 71 4.431 0.065 0.480 1.00 0.00 N ATOM 1103 CA LEU A 71 4.559 1.292 1.225 1.00 0.00 C ATOM 1104 C LEU A 71 6.012 1.743 1.145 1.00 0.00 C ATOM 1105 O LEU A 71 6.516 2.341 2.070 1.00 0.00 O ATOM 1106 CB LEU A 71 4.056 1.057 2.657 1.00 0.00 C ATOM 1107 CG LEU A 71 2.536 1.032 2.749 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.100 0.293 4.012 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.961 2.439 2.716 1.00 0.00 C ATOM 0 H LEU A 71 4.710 -0.772 0.992 1.00 0.00 H new ATOM 0 HA LEU A 71 3.949 2.096 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.454 0.112 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.442 1.842 3.307 1.00 0.00 H new ATOM 0 HG LEU A 71 2.147 0.499 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.012 0.280 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.474 -0.731 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.503 0.801 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.874 2.390 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.351 3.011 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.245 2.926 1.783 1.00 0.00 H new ATOM 1121 N ASN A 72 6.749 1.430 0.099 1.00 0.00 N ATOM 1122 CA ASN A 72 8.114 1.873 -0.098 1.00 0.00 C ATOM 1123 C ASN A 72 8.296 2.465 -1.479 1.00 0.00 C ATOM 1124 O ASN A 72 9.426 2.722 -1.891 1.00 0.00 O ATOM 1125 CB ASN A 72 9.040 0.677 0.100 1.00 0.00 C ATOM 1126 CG ASN A 72 9.129 0.247 1.542 1.00 0.00 C ATOM 1127 OD1 ASN A 72 9.017 -0.899 1.915 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.435 1.170 2.421 1.00 0.00 N ATOM 0 H ASN A 72 6.404 0.843 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 72 8.354 2.653 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.683 -0.158 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.036 0.929 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.574 0.917 3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.534 2.142 2.127 1.00 0.00 H new ATOM 1135 N GLU A 73 7.193 2.644 -2.195 1.00 0.00 N ATOM 1136 CA GLU A 73 7.243 3.176 -3.532 1.00 0.00 C ATOM 1137 C GLU A 73 7.455 4.691 -3.495 1.00 0.00 C ATOM 1138 O GLU A 73 7.401 5.319 -2.425 1.00 0.00 O ATOM 1139 CB GLU A 73 5.969 2.763 -4.283 1.00 0.00 C ATOM 1140 CG GLU A 73 4.881 3.856 -4.259 1.00 0.00 C ATOM 1141 CD GLU A 73 3.490 3.286 -4.557 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.228 2.123 -4.189 1.00 0.00 O ATOM 1143 OE2 GLU A 73 2.627 4.066 -5.004 1.00 0.00 O ATOM 0 H GLU A 73 6.254 2.425 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 73 8.093 2.764 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.222 2.531 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.571 1.850 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.873 4.339 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.123 4.625 -4.993 1.00 0.00 H new ATOM 1150 N PRO A 74 7.607 5.310 -4.679 1.00 0.00 N ATOM 1151 CA PRO A 74 7.696 6.752 -4.815 1.00 0.00 C ATOM 1152 C PRO A 74 6.360 7.467 -4.586 1.00 0.00 C ATOM 1153 O PRO A 74 5.977 8.389 -5.302 1.00 0.00 O ATOM 1154 CB PRO A 74 8.257 6.985 -6.220 1.00 0.00 C ATOM 1155 CG PRO A 74 7.966 5.710 -7.017 1.00 0.00 C ATOM 1156 CD PRO A 74 7.598 4.660 -5.992 1.00 0.00 C ATOM 0 HA PRO A 74 8.341 7.179 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.788 7.851 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.328 7.184 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.152 5.868 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.837 5.403 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.615 4.242 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.308 3.834 -6.016 1.00 0.00 H new ATOM 1164 N MET A 75 5.662 7.103 -3.524 1.00 0.00 N ATOM 1165 CA MET A 75 4.389 7.674 -3.184 1.00 0.00 C ATOM 1166 C MET A 75 3.952 7.229 -1.812 1.00 0.00 C ATOM 1167 O MET A 75 2.776 7.319 -1.504 1.00 0.00 O ATOM 1168 CB MET A 75 3.342 7.260 -4.220 1.00 0.00 C ATOM 1169 CG MET A 75 2.228 8.299 -4.300 1.00 0.00 C ATOM 1170 SD MET A 75 0.827 7.647 -5.232 1.00 0.00 S ATOM 1171 CE MET A 75 0.286 9.163 -6.029 1.00 0.00 C ATOM 0 H MET A 75 5.978 6.389 -2.868 1.00 0.00 H new ATOM 0 HA MET A 75 4.488 8.759 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.813 7.148 -5.197 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.923 6.289 -3.954 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.908 8.576 -3.296 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.601 9.205 -4.777 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.582 8.955 -6.655 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.018 9.898 -5.270 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.093 9.557 -6.647 1.00 0.00 H new ATOM 1181 N TRP A 76 4.885 6.825 -0.947 1.00 0.00 N ATOM 1182 CA TRP A 76 4.589 6.393 0.404 1.00 0.00 C ATOM 1183 C TRP A 76 5.848 6.559 1.239 1.00 0.00 C ATOM 1184 O TRP A 76 6.529 5.598 1.583 1.00 0.00 O ATOM 1185 CB TRP A 76 4.065 4.949 0.367 1.00 0.00 C ATOM 1186 CG TRP A 76 2.799 4.734 -0.396 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.679 4.134 -1.592 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.489 5.266 -0.117 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.403 4.289 -2.086 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.623 4.985 -1.196 1.00 0.00 C ATOM 1191 CE3 TRP A 76 0.986 6.055 0.919 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.730 5.309 -1.171 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.363 6.403 0.956 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.213 6.029 -0.074 1.00 0.00 C ATOM 0 H TRP A 76 5.878 6.791 -1.177 1.00 0.00 H new ATOM 0 HA TRP A 76 3.806 6.996 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.839 4.313 -0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.910 4.613 1.392 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.473 3.604 -2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 76 1.082 3.936 -2.988 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.649 6.399 1.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.388 5.013 -1.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.749 6.967 1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.258 6.297 -0.028 1.00 0.00 H new ATOM 1205 N ILE A 77 6.198 7.809 1.572 1.00 0.00 N ATOM 1206 CA ILE A 77 7.440 8.100 2.289 1.00 0.00 C ATOM 1207 C ILE A 77 7.120 8.381 3.735 1.00 0.00 C ATOM 1208 O ILE A 77 6.613 7.525 4.436 1.00 0.00 O ATOM 1209 CB ILE A 77 8.250 9.223 1.619 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.357 9.045 0.100 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.640 9.339 2.279 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.594 7.579 -0.287 1.00 0.00 C ATOM 0 H ILE A 77 5.636 8.632 1.355 1.00 0.00 H new ATOM 0 HA ILE A 77 8.091 7.226 2.248 1.00 0.00 H new ATOM 0 HB ILE A 77 7.712 10.158 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.442 9.402 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.174 9.658 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.206 10.137 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.522 9.566 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.176 8.396 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.664 7.496 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.522 7.229 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.764 6.969 0.071 1.00 0.00 H new ATOM 1224 N ARG A 78 7.345 9.592 4.210 1.00 0.00 N ATOM 1225 CA ARG A 78 7.002 9.986 5.560 1.00 0.00 C ATOM 1226 C ARG A 78 5.528 10.319 5.692 1.00 0.00 C ATOM 1227 O ARG A 78 5.141 11.038 6.592 1.00 0.00 O ATOM 1228 CB ARG A 78 7.873 11.172 5.976 1.00 0.00 C ATOM 1229 CG ARG A 78 9.368 10.879 5.782 1.00 0.00 C ATOM 1230 CD ARG A 78 9.818 9.693 6.642 1.00 0.00 C ATOM 1231 NE ARG A 78 9.640 9.974 8.076 1.00 0.00 N ATOM 1232 CZ ARG A 78 9.861 9.135 9.071 1.00 0.00 C ATOM 1233 NH1 ARG A 78 10.297 7.929 8.823 1.00 0.00 N ATOM 1234 NH2 ARG A 78 9.690 9.512 10.308 1.00 0.00 N ATOM 0 H ARG A 78 7.776 10.336 3.662 1.00 0.00 H new ATOM 0 HA ARG A 78 7.194 9.145 6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.596 12.049 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.683 11.413 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.566 10.665 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.951 11.762 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.246 8.806 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.866 9.471 6.440 1.00 0.00 H new ATOM 0 HE ARG A 78 9.314 10.908 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.467 7.636 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.468 7.280 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.383 10.463 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.863 8.856 11.070 1.00 0.00 H new ATOM 1248 N MET A 79 4.729 9.872 4.740 1.00 0.00 N ATOM 1249 CA MET A 79 3.322 10.172 4.649 1.00 0.00 C ATOM 1250 C MET A 79 2.573 8.898 4.928 1.00 0.00 C ATOM 1251 O MET A 79 1.591 8.898 5.645 1.00 0.00 O ATOM 1252 CB MET A 79 2.941 10.696 3.261 1.00 0.00 C ATOM 1253 CG MET A 79 4.038 10.458 2.222 1.00 0.00 C ATOM 1254 SD MET A 79 3.625 11.162 0.624 1.00 0.00 S ATOM 1255 CE MET A 79 3.108 9.648 -0.173 1.00 0.00 C ATOM 0 H MET A 79 5.059 9.270 3.986 1.00 0.00 H new ATOM 0 HA MET A 79 3.071 10.952 5.368 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.023 10.210 2.932 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.731 11.764 3.325 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.973 10.892 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.206 9.387 2.112 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.821 9.859 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.931 8.933 -0.165 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.257 9.227 0.362 1.00 0.00 H new ATOM 1265 N ARG A 80 3.079 7.766 4.452 1.00 0.00 N ATOM 1266 CA ARG A 80 2.465 6.504 4.739 1.00 0.00 C ATOM 1267 C ARG A 80 2.485 6.177 6.203 1.00 0.00 C ATOM 1268 O ARG A 80 1.734 5.308 6.561 1.00 0.00 O ATOM 1269 CB ARG A 80 3.158 5.344 4.055 1.00 0.00 C ATOM 1270 CG ARG A 80 4.654 5.473 4.194 1.00 0.00 C ATOM 1271 CD ARG A 80 5.388 4.178 3.994 1.00 0.00 C ATOM 1272 NE ARG A 80 6.845 4.366 4.083 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.738 3.417 4.315 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.364 2.218 4.691 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.017 3.669 4.223 1.00 0.00 N ATOM 0 H ARG A 80 3.913 7.711 3.867 1.00 0.00 H new ATOM 0 HA ARG A 80 1.445 6.621 4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.825 4.403 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.885 5.319 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.017 6.203 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.887 5.864 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.066 3.456 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.133 3.760 3.020 1.00 0.00 H new ATOM 0 HE ARG A 80 7.199 5.314 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.373 2.006 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.064 1.497 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.336 4.604 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.697 2.930 4.404 1.00 0.00 H new ATOM 1289 N ASP A 81 3.300 6.807 7.033 1.00 0.00 N ATOM 1290 CA ASP A 81 3.324 6.606 8.479 1.00 0.00 C ATOM 1291 C ASP A 81 1.916 6.487 9.075 1.00 0.00 C ATOM 1292 O ASP A 81 1.677 5.662 9.953 1.00 0.00 O ATOM 1293 CB ASP A 81 3.992 7.814 9.135 1.00 0.00 C ATOM 1294 CG ASP A 81 5.049 7.421 10.165 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.094 6.884 9.720 1.00 0.00 O ATOM 1296 OD2 ASP A 81 4.838 7.703 11.356 1.00 0.00 O ATOM 0 H ASP A 81 3.984 7.493 6.714 1.00 0.00 H new ATOM 0 HA ASP A 81 3.866 5.679 8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.454 8.430 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.231 8.426 9.618 1.00 0.00 H new ATOM 1301 N GLN A 82 0.958 7.203 8.472 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.442 7.085 8.816 1.00 0.00 C ATOM 1303 C GLN A 82 -1.188 5.990 8.068 1.00 0.00 C ATOM 1304 O GLN A 82 -1.901 5.172 8.651 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.127 8.411 8.551 1.00 0.00 C ATOM 1306 CG GLN A 82 -2.270 8.612 9.534 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.767 9.310 10.785 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -1.910 8.841 11.896 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.170 10.474 10.621 1.00 0.00 N ATOM 0 H GLN A 82 1.145 7.879 7.731 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.472 6.809 9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.409 9.226 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.506 8.436 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.059 9.204 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.707 7.649 9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.054 10.860 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.824 10.988 11.431 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.968 5.920 6.763 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.540 4.901 5.929 1.00 0.00 C ATOM 1320 C VAL A 83 -0.977 3.565 6.299 1.00 0.00 C ATOM 1321 O VAL A 83 -1.494 2.623 5.779 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.342 5.185 4.433 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.460 6.672 4.176 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.054 4.657 3.874 1.00 0.00 C ATOM 0 H VAL A 83 -0.379 6.582 6.258 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.616 4.899 6.103 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.131 4.645 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.319 6.870 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.448 7.017 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.698 7.202 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.009 4.899 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.785 5.113 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.018 3.575 4.002 1.00 0.00 H new ATOM 1334 N MET A 84 0.035 3.455 7.145 1.00 0.00 N ATOM 1335 CA MET A 84 0.753 2.293 7.528 1.00 0.00 C ATOM 1336 C MET A 84 -0.146 1.588 8.476 1.00 0.00 C ATOM 1337 O MET A 84 -0.679 0.582 8.060 1.00 0.00 O ATOM 1338 CB MET A 84 2.066 2.643 8.222 1.00 0.00 C ATOM 1339 CG MET A 84 3.251 2.087 7.453 1.00 0.00 C ATOM 1340 SD MET A 84 4.624 1.687 8.545 1.00 0.00 S ATOM 1341 CE MET A 84 5.407 3.321 8.597 1.00 0.00 C ATOM 0 H MET A 84 0.397 4.281 7.621 1.00 0.00 H new ATOM 0 HA MET A 84 1.018 1.689 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.159 3.726 8.308 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.064 2.242 9.235 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.945 1.193 6.910 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.577 2.815 6.710 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.490 3.204 8.635 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.134 3.884 7.704 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.069 3.859 9.483 1.00 0.00 H new ATOM 1351 N SER A 85 -0.318 2.055 9.715 1.00 0.00 N ATOM 1352 CA SER A 85 -1.145 1.397 10.716 1.00 0.00 C ATOM 1353 C SER A 85 -2.495 1.006 10.141 1.00 0.00 C ATOM 1354 O SER A 85 -3.055 0.005 10.536 1.00 0.00 O ATOM 1355 CB SER A 85 -1.357 2.309 11.903 1.00 0.00 C ATOM 1356 OG SER A 85 -1.956 1.577 12.953 1.00 0.00 O ATOM 0 H SER A 85 0.121 2.912 10.050 1.00 0.00 H new ATOM 0 HA SER A 85 -0.623 0.494 11.034 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.404 2.725 12.231 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.992 3.149 11.622 1.00 0.00 H new ATOM 0 HG SER A 85 -2.093 2.165 13.725 1.00 0.00 H new ATOM 1362 N MET A 86 -2.910 1.654 9.068 1.00 0.00 N ATOM 1363 CA MET A 86 -4.096 1.329 8.351 1.00 0.00 C ATOM 1364 C MET A 86 -3.849 0.426 7.164 1.00 0.00 C ATOM 1365 O MET A 86 -4.627 -0.456 6.950 1.00 0.00 O ATOM 1366 CB MET A 86 -4.664 2.610 7.840 1.00 0.00 C ATOM 1367 CG MET A 86 -4.767 3.684 8.907 1.00 0.00 C ATOM 1368 SD MET A 86 -6.077 3.262 10.061 1.00 0.00 S ATOM 1369 CE MET A 86 -5.927 4.677 11.160 1.00 0.00 C ATOM 0 H MET A 86 -2.403 2.445 8.671 1.00 0.00 H new ATOM 0 HA MET A 86 -4.764 0.797 9.028 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.042 2.976 7.024 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.655 2.422 7.426 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.819 3.778 9.436 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.972 4.650 8.446 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.667 4.599 11.956 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.927 4.696 11.594 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.096 5.595 10.597 1.00 0.00 H new ATOM 1379 N ALA A 87 -2.745 0.493 6.457 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.326 -0.400 5.416 1.00 0.00 C ATOM 1381 C ALA A 87 -2.002 -1.777 5.967 1.00 0.00 C ATOM 1382 O ALA A 87 -1.612 -2.642 5.205 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.090 0.148 4.715 1.00 0.00 C ATOM 0 H ALA A 87 -2.065 1.237 6.613 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.151 -0.485 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.783 -0.540 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.320 1.120 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.281 0.257 5.437 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.065 -1.981 7.274 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.863 -3.272 7.878 1.00 0.00 C ATOM 1391 C HIS A 88 -3.203 -3.854 8.274 1.00 0.00 C ATOM 1392 O HIS A 88 -3.280 -5.034 8.514 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.934 -3.139 9.077 1.00 0.00 C ATOM 1394 CG HIS A 88 0.145 -2.088 8.973 1.00 0.00 C ATOM 1395 ND1 HIS A 88 0.571 -1.339 10.047 1.00 0.00 N ATOM 1396 CD2 HIS A 88 0.852 -1.704 7.857 1.00 0.00 C ATOM 1397 CE1 HIS A 88 1.528 -0.508 9.601 1.00 0.00 C ATOM 1398 NE2 HIS A 88 1.727 -0.714 8.271 1.00 0.00 N ATOM 0 H HIS A 88 -2.261 -1.239 7.946 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.393 -3.950 7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.540 -2.922 9.957 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.457 -4.104 9.249 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.224 -1.403 11.004 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.746 -2.097 6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.058 0.213 10.206 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.253 -3.047 8.315 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.582 -3.459 8.699 1.00 0.00 C ATOM 1409 C ASN A 89 -6.495 -3.293 7.506 1.00 0.00 C ATOM 1410 O ASN A 89 -7.519 -3.916 7.461 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.124 -2.608 9.850 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.260 -2.709 11.094 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -3.988 -2.431 10.950 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -5.669 -3.103 12.162 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.195 -2.058 8.073 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.541 -4.497 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.182 -1.567 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.139 -2.926 10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.658 -3.321 12.280 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.025 -3.217 12.944 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.122 -2.506 6.512 1.00 0.00 N ATOM 1422 CA LEU A 90 -6.833 -2.290 5.289 1.00 0.00 C ATOM 1423 C LEU A 90 -6.795 -3.553 4.442 1.00 0.00 C ATOM 1424 O LEU A 90 -7.834 -4.040 4.014 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.260 -1.079 4.524 1.00 0.00 C ATOM 1426 CG LEU A 90 -6.900 0.245 4.935 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.437 1.296 3.954 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -8.409 0.182 4.935 1.00 0.00 C ATOM 0 H LEU A 90 -5.255 -1.971 6.553 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.873 -2.061 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.185 -1.025 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.406 -1.230 3.454 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.596 0.481 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.876 2.258 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.350 1.372 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.750 1.018 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.814 1.149 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.763 -0.065 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.741 -0.583 5.637 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.596 -4.111 4.191 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.464 -5.322 3.433 1.00 0.00 C ATOM 1442 C PRO A 91 -5.852 -6.517 4.277 1.00 0.00 C ATOM 1443 O PRO A 91 -6.460 -7.442 3.775 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.003 -5.405 3.015 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.266 -4.491 3.956 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.301 -3.660 4.645 1.00 0.00 C ATOM 0 HA PRO A 91 -6.120 -5.322 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.631 -6.427 3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.872 -5.091 1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.686 -5.065 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.563 -3.861 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.217 -3.763 5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.160 -2.604 4.414 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.518 -6.548 5.555 1.00 0.00 N ATOM 1455 CA ILE A 92 -5.918 -7.641 6.422 1.00 0.00 C ATOM 1456 C ILE A 92 -7.429 -7.767 6.482 1.00 0.00 C ATOM 1457 O ILE A 92 -7.922 -8.881 6.347 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.334 -7.405 7.810 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.873 -7.877 7.847 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.198 -8.068 8.892 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.461 -8.488 9.179 1.00 0.00 C ATOM 0 H ILE A 92 -4.968 -5.824 6.017 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.535 -8.579 6.021 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.340 -6.337 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.718 -8.612 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.221 -7.031 7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.758 -7.884 9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.204 -7.650 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.246 -9.142 8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.417 -8.798 9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.583 -7.750 9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.087 -9.355 9.391 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.134 -6.649 6.636 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.591 -6.663 6.668 1.00 0.00 C ATOM 1475 C GLU A 93 -10.182 -7.110 5.336 1.00 0.00 C ATOM 1476 O GLU A 93 -11.321 -7.563 5.273 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.128 -5.268 6.995 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.190 -5.036 8.519 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.626 -4.756 8.988 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.349 -4.020 8.274 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -11.978 -5.246 10.083 1.00 0.00 O ATOM 0 H GLU A 93 -7.719 -5.723 6.740 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.886 -7.374 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.490 -4.513 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.123 -5.149 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.801 -5.912 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.548 -4.196 8.787 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.390 -7.029 4.268 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.768 -7.549 2.984 1.00 0.00 C ATOM 1490 C CYS A 94 -9.354 -9.000 2.807 1.00 0.00 C ATOM 1491 O CYS A 94 -9.792 -9.589 1.823 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.150 -6.685 1.891 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.196 -5.330 1.339 1.00 0.00 S ATOM 0 H CYS A 94 -8.467 -6.596 4.284 1.00 0.00 H new ATOM 0 HA CYS A 94 -10.855 -7.519 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.208 -6.276 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -8.912 -7.317 1.035 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.518 -9.540 3.707 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.985 -10.892 3.698 1.00 0.00 C ATOM 1500 C ASN A 95 -6.767 -10.962 2.754 1.00 0.00 C ATOM 1501 O ASN A 95 -6.477 -11.974 2.132 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.093 -11.865 3.273 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.880 -13.243 3.848 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.728 -13.775 4.537 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.723 -13.821 3.607 1.00 0.00 N ATOM 0 H ASN A 95 -8.181 -9.003 4.506 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.647 -11.175 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.059 -11.480 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.125 -11.926 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.519 -14.739 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.030 -13.351 3.025 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.086 -9.851 2.546 1.00 0.00 N ATOM 1513 CA LEU A 96 -4.983 -9.799 1.625 1.00 0.00 C ATOM 1514 C LEU A 96 -3.793 -10.325 2.388 1.00 0.00 C ATOM 1515 O LEU A 96 -3.283 -11.372 2.048 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.800 -8.393 1.072 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.100 -7.714 0.644 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -5.838 -6.278 0.240 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.830 -8.482 -0.440 1.00 0.00 C ATOM 0 H LEU A 96 -6.286 -8.966 3.012 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.144 -10.410 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.314 -7.777 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.127 -8.436 0.216 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.767 -7.710 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.774 -5.808 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.415 -5.734 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.136 -6.257 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.746 -7.954 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.192 -8.566 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.078 -9.479 -0.076 1.00 0.00 H new ATOM 1531 N MET A 97 -3.459 -9.694 3.511 1.00 0.00 N ATOM 1532 CA MET A 97 -2.333 -10.081 4.328 1.00 0.00 C ATOM 1533 C MET A 97 -2.722 -10.416 5.734 1.00 0.00 C ATOM 1534 O MET A 97 -1.877 -10.254 6.605 1.00 0.00 O ATOM 1535 CB MET A 97 -1.296 -8.974 4.304 1.00 0.00 C ATOM 1536 CG MET A 97 -1.833 -7.680 4.894 1.00 0.00 C ATOM 1537 SD MET A 97 -0.789 -6.973 6.184 1.00 0.00 S ATOM 1538 CE MET A 97 0.792 -7.044 5.318 1.00 0.00 C ATOM 0 H MET A 97 -3.974 -8.892 3.875 1.00 0.00 H new ATOM 0 HA MET A 97 -1.913 -10.994 3.906 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.415 -9.290 4.863 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.976 -8.799 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.950 -6.949 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.826 -7.864 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.438 -6.241 5.673 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.269 -8.005 5.510 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.626 -6.928 4.247 1.00 0.00 H new ATOM 1548 N SER A 98 -3.979 -10.838 5.939 1.00 0.00 N ATOM 1549 CA SER A 98 -4.526 -11.146 7.255 1.00 0.00 C ATOM 1550 C SER A 98 -3.494 -11.814 8.159 1.00 0.00 C ATOM 1551 O SER A 98 -2.958 -11.214 9.066 1.00 0.00 O ATOM 1552 CB SER A 98 -5.752 -12.028 7.147 1.00 0.00 C ATOM 1553 OG SER A 98 -6.114 -12.515 8.425 1.00 0.00 O ATOM 0 H SER A 98 -4.647 -10.974 5.181 1.00 0.00 H new ATOM 0 HA SER A 98 -4.810 -10.194 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.579 -11.463 6.717 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.552 -12.862 6.475 1.00 0.00 H new ATOM 0 HG SER A 98 -6.909 -13.083 8.346 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.141 -13.045 7.869 1.00 0.00 N ATOM 1560 CA GLN A 99 -2.037 -13.719 8.528 1.00 0.00 C ATOM 1561 C GLN A 99 -1.485 -14.840 7.644 1.00 0.00 C ATOM 1562 O GLN A 99 -1.474 -16.009 8.020 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.589 -14.208 9.865 1.00 0.00 C ATOM 1564 CG GLN A 99 -2.150 -13.296 11.010 1.00 0.00 C ATOM 1565 CD GLN A 99 -3.233 -13.096 12.052 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -4.335 -13.612 12.010 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -2.926 -12.320 13.061 1.00 0.00 N ATOM 0 H GLN A 99 -3.612 -13.614 7.165 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.186 -13.061 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.678 -14.243 9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.245 -15.225 10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.267 -13.720 11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.859 -12.327 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.006 -11.883 13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.607 -12.153 13.802 1.00 0.00 H new ATOM 1576 N PRO A 100 -1.107 -14.518 6.398 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.589 -15.520 5.487 1.00 0.00 C ATOM 1578 C PRO A 100 0.832 -15.910 5.878 1.00 0.00 C ATOM 1579 O PRO A 100 1.094 -17.070 6.190 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.644 -14.888 4.098 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.770 -13.390 4.333 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.089 -13.197 5.797 1.00 0.00 C ATOM 0 HA PRO A 100 -1.173 -16.440 5.514 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.254 -15.121 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.492 -15.268 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.156 -12.879 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.556 -12.967 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.342 -12.564 6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.052 -12.702 5.921 1.00 0.00 H new ATOM 1590 N CYS A 101 1.771 -14.967 5.765 1.00 0.00 N ATOM 1591 CA CYS A 101 3.143 -15.205 6.152 1.00 0.00 C ATOM 1592 C CYS A 101 3.244 -15.312 7.677 1.00 0.00 C ATOM 1593 O CYS A 101 2.246 -15.270 8.398 1.00 0.00 O ATOM 1594 CB CYS A 101 4.038 -14.102 5.579 1.00 0.00 C ATOM 1595 SG CYS A 101 3.476 -13.364 3.993 1.00 0.00 S ATOM 0 H CYS A 101 1.593 -14.029 5.405 1.00 0.00 H new ATOM 0 HA CYS A 101 3.491 -16.153 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.122 -13.306 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.039 -14.510 5.435 1.00 0.00 H new ATOM 1600 N GLN A 102 4.466 -15.448 8.172 1.00 0.00 N ATOM 1601 CA GLN A 102 4.718 -15.529 9.604 1.00 0.00 C ATOM 1602 C GLN A 102 5.696 -14.453 10.033 1.00 0.00 C ATOM 1603 O GLN A 102 6.063 -13.625 9.198 1.00 0.00 O ATOM 1604 CB GLN A 102 5.223 -16.930 9.947 1.00 0.00 C ATOM 1605 CG GLN A 102 4.171 -17.989 9.598 1.00 0.00 C ATOM 1606 CD GLN A 102 3.103 -18.143 10.673 1.00 0.00 C ATOM 1607 OE1 GLN A 102 3.084 -17.498 11.706 1.00 0.00 O ATOM 1608 NE2 GLN A 102 2.202 -19.073 10.467 1.00 0.00 N ATOM 0 H GLN A 102 5.306 -15.505 7.596 1.00 0.00 H new ATOM 0 HA GLN A 102 3.793 -15.354 10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.145 -17.133 9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.463 -16.985 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.694 -17.722 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.666 -18.948 9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.216 -19.614 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.487 -19.255 11.171 1.00 0.00 H new ATOM 1617 N MET A 103 6.038 -14.456 11.325 1.00 0.00 N ATOM 1618 CA MET A 103 7.033 -13.538 11.869 1.00 0.00 C ATOM 1619 C MET A 103 8.289 -13.394 10.972 1.00 0.00 C ATOM 1620 O MET A 103 8.714 -14.441 10.413 1.00 0.00 O ATOM 1621 CB MET A 103 7.380 -13.993 13.295 1.00 0.00 C ATOM 1622 CG MET A 103 8.322 -15.205 13.263 1.00 0.00 C ATOM 1623 SD MET A 103 10.029 -14.707 13.620 1.00 0.00 S ATOM 1624 CE MET A 103 10.465 -16.007 14.773 1.00 0.00 C ATOM 1625 OXT MET A 103 8.783 -12.249 10.896 1.00 0.00 O ATOM 0 H MET A 103 5.635 -15.090 12.015 1.00 0.00 H new ATOM 0 HA MET A 103 6.606 -12.535 11.897 1.00 0.00 H new ATOM 0 HB2 MET A 103 7.851 -13.174 13.839 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.467 -14.250 13.833 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.994 -15.945 13.993 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.275 -15.681 12.284 1.00 0.00 H new ATOM 0 HE1 MET A 103 11.493 -15.867 15.107 1.00 0.00 H new ATOM 0 HE2 MET A 103 9.796 -15.970 15.633 1.00 0.00 H new ATOM 0 HE3 MET A 103 10.372 -16.975 14.282 1.00 0.00 H new TER 1635 MET A 103