USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1005 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 Single : A 7 CYS SG : rot -26:sc= 0.0231 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 12 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.887 K(o=-0.89,f=-6.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 0:sc= 0.0247 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 150:sc= -2.8 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 130:sc= -0.206 USER MOD Single : A 40 SER OG : rot -25:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -1.26 (180deg=-1.48) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.11 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.15) USER MOD Single : A 63 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-4.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00968 USER MOD Single : A 73 THR OG1 : rot -160:sc= -1.31 USER MOD Single : A 75 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.71) USER MOD Single : A 76 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.32) USER MOD Single : A 78 HIS : no HD1:sc= -0.846 K(o=-0.85,f=-2.3) USER MOD Single : A 80 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-6.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.023) USER MOD Single : A 101 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.31) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.57 K(o=-1.6,f=-7.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -170:sc= -0.915 USER MOD Single : A 124 MET CE :methyl 166:sc= -8.46! (180deg=-10.2!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.347 6.194 1.578 1.00 1.23 N ATOM 93 CA CYS A 7 -15.320 5.713 0.606 1.00 1.26 C ATOM 94 C CYS A 7 -15.407 6.504 -0.706 1.00 1.16 C ATOM 95 O CYS A 7 -15.007 6.026 -1.748 1.00 1.58 O ATOM 96 CB CYS A 7 -15.553 4.229 0.314 1.00 1.95 C ATOM 97 SG CYS A 7 -17.283 3.970 -0.157 1.00 1.80 S ATOM 0 HA CYS A 7 -14.332 5.859 1.042 1.00 1.26 H new ATOM 0 HB2 CYS A 7 -14.893 3.897 -0.488 1.00 1.95 H new ATOM 0 HB3 CYS A 7 -15.311 3.632 1.193 1.00 1.95 H new ATOM 0 HG CYS A 7 -18.019 4.907 0.362 1.00 1.80 H new ATOM 102 N ASP A 8 -15.917 7.706 -0.674 1.00 0.85 N ATOM 103 CA ASP A 8 -16.011 8.502 -1.929 1.00 0.97 C ATOM 104 C ASP A 8 -14.764 9.367 -2.087 1.00 0.97 C ATOM 105 O ASP A 8 -14.029 9.252 -3.048 1.00 1.16 O ATOM 106 CB ASP A 8 -17.250 9.398 -1.878 1.00 0.96 C ATOM 107 CG ASP A 8 -18.249 8.950 -2.947 1.00 1.90 C ATOM 108 OD1 ASP A 8 -18.123 9.401 -4.074 1.00 1.90 O ATOM 109 OD2 ASP A 8 -19.121 8.162 -2.622 1.00 2.99 O ATOM 0 H ASP A 8 -16.271 8.168 0.164 1.00 0.85 H new ATOM 0 HA ASP A 8 -16.088 7.823 -2.778 1.00 0.97 H new ATOM 0 HB2 ASP A 8 -17.709 9.345 -0.891 1.00 0.96 H new ATOM 0 HB3 ASP A 8 -16.967 10.438 -2.043 1.00 0.96 H new ATOM 114 N ILE A 9 -14.533 10.248 -1.156 1.00 0.80 N ATOM 115 CA ILE A 9 -13.349 11.148 -1.246 1.00 0.85 C ATOM 116 C ILE A 9 -12.141 10.512 -0.552 1.00 0.64 C ATOM 117 O ILE A 9 -11.027 10.617 -1.023 1.00 0.52 O ATOM 118 CB ILE A 9 -13.681 12.479 -0.573 1.00 0.92 C ATOM 119 CG1 ILE A 9 -14.942 13.070 -1.209 1.00 1.29 C ATOM 120 CG2 ILE A 9 -12.515 13.449 -0.760 1.00 1.35 C ATOM 121 CD1 ILE A 9 -15.178 14.479 -0.664 1.00 1.05 C ATOM 0 H ILE A 9 -15.117 10.385 -0.331 1.00 0.80 H new ATOM 0 HA ILE A 9 -13.104 11.311 -2.295 1.00 0.85 H new ATOM 0 HB ILE A 9 -13.851 12.316 0.491 1.00 0.92 H new ATOM 0 HG12 ILE A 9 -14.834 13.102 -2.293 1.00 1.29 H new ATOM 0 HG13 ILE A 9 -15.802 12.436 -0.992 1.00 1.29 H new ATOM 0 HG21 ILE A 9 -12.751 14.399 -0.280 1.00 1.35 H new ATOM 0 HG22 ILE A 9 -11.616 13.028 -0.309 1.00 1.35 H new ATOM 0 HG23 ILE A 9 -12.345 13.613 -1.824 1.00 1.35 H new ATOM 0 HD11 ILE A 9 -16.076 14.899 -1.117 1.00 1.05 H new ATOM 0 HD12 ILE A 9 -15.305 14.434 0.418 1.00 1.05 H new ATOM 0 HD13 ILE A 9 -14.322 15.110 -0.903 1.00 1.05 H new ATOM 133 N THR A 10 -12.340 9.866 0.567 1.00 0.61 N ATOM 134 CA THR A 10 -11.183 9.244 1.277 1.00 0.45 C ATOM 135 C THR A 10 -10.439 8.313 0.320 1.00 0.31 C ATOM 136 O THR A 10 -9.237 8.389 0.183 1.00 0.25 O ATOM 137 CB THR A 10 -11.674 8.441 2.484 1.00 0.69 C ATOM 138 OG1 THR A 10 -12.568 9.238 3.248 1.00 1.08 O ATOM 139 CG2 THR A 10 -10.474 8.039 3.349 1.00 0.41 C ATOM 0 H THR A 10 -13.247 9.743 1.018 1.00 0.61 H new ATOM 0 HA THR A 10 -10.514 10.032 1.621 1.00 0.45 H new ATOM 0 HB THR A 10 -12.191 7.544 2.142 1.00 0.69 H new ATOM 0 HG1 THR A 10 -12.885 8.725 4.021 1.00 1.08 H new ATOM 0 HG21 THR A 10 -10.821 7.467 4.209 1.00 0.41 H new ATOM 0 HG22 THR A 10 -9.789 7.429 2.760 1.00 0.41 H new ATOM 0 HG23 THR A 10 -9.957 8.935 3.693 1.00 0.41 H new ATOM 147 N LEU A 11 -11.144 7.438 -0.344 1.00 0.53 N ATOM 148 CA LEU A 11 -10.471 6.505 -1.293 1.00 0.66 C ATOM 149 C LEU A 11 -10.073 7.252 -2.572 1.00 0.54 C ATOM 150 O LEU A 11 -9.237 6.797 -3.324 1.00 0.66 O ATOM 151 CB LEU A 11 -11.417 5.359 -1.648 1.00 0.95 C ATOM 152 CG LEU A 11 -11.295 4.254 -0.599 1.00 0.59 C ATOM 153 CD1 LEU A 11 -11.697 4.803 0.771 1.00 0.82 C ATOM 154 CD2 LEU A 11 -12.217 3.091 -0.973 1.00 0.68 C ATOM 0 H LEU A 11 -12.155 7.329 -0.271 1.00 0.53 H new ATOM 0 HA LEU A 11 -9.575 6.105 -0.818 1.00 0.66 H new ATOM 0 HB2 LEU A 11 -12.444 5.721 -1.692 1.00 0.95 H new ATOM 0 HB3 LEU A 11 -11.175 4.966 -2.635 1.00 0.95 H new ATOM 0 HG LEU A 11 -10.264 3.903 -0.561 1.00 0.59 H new ATOM 0 HD11 LEU A 11 -11.610 4.015 1.519 1.00 0.82 H new ATOM 0 HD12 LEU A 11 -11.040 5.631 1.038 1.00 0.82 H new ATOM 0 HD13 LEU A 11 -12.728 5.155 0.734 1.00 0.82 H new ATOM 0 HD21 LEU A 11 -12.130 2.303 -0.225 1.00 0.68 H new ATOM 0 HD22 LEU A 11 -13.248 3.442 -1.012 1.00 0.68 H new ATOM 0 HD23 LEU A 11 -11.930 2.699 -1.949 1.00 0.68 H new ATOM 166 N GLN A 12 -10.661 8.391 -2.830 1.00 0.38 N ATOM 167 CA GLN A 12 -10.302 9.150 -4.061 1.00 0.41 C ATOM 168 C GLN A 12 -8.846 9.607 -3.962 1.00 0.43 C ATOM 169 O GLN A 12 -8.013 9.242 -4.768 1.00 0.35 O ATOM 170 CB GLN A 12 -11.218 10.370 -4.189 1.00 0.48 C ATOM 171 CG GLN A 12 -10.766 11.230 -5.370 1.00 1.14 C ATOM 172 CD GLN A 12 -11.991 11.723 -6.141 1.00 0.90 C ATOM 173 OE1 GLN A 12 -13.094 11.700 -5.634 1.00 0.58 O ATOM 174 NE2 GLN A 12 -11.843 12.174 -7.358 1.00 1.73 N ATOM 0 H GLN A 12 -11.372 8.826 -2.242 1.00 0.38 H new ATOM 0 HA GLN A 12 -10.425 8.513 -4.937 1.00 0.41 H new ATOM 0 HB2 GLN A 12 -12.250 10.049 -4.334 1.00 0.48 H new ATOM 0 HB3 GLN A 12 -11.192 10.955 -3.269 1.00 0.48 H new ATOM 0 HG2 GLN A 12 -10.182 12.078 -5.013 1.00 1.14 H new ATOM 0 HG3 GLN A 12 -10.118 10.651 -6.028 1.00 1.14 H new ATOM 0 HE21 GLN A 12 -10.917 12.194 -7.785 1.00 1.73 H new ATOM 0 HE22 GLN A 12 -12.653 12.506 -7.881 1.00 1.73 H new ATOM 183 N GLU A 13 -8.532 10.396 -2.973 1.00 0.55 N ATOM 184 CA GLU A 13 -7.128 10.867 -2.815 1.00 0.59 C ATOM 185 C GLU A 13 -6.231 9.662 -2.527 1.00 0.55 C ATOM 186 O GLU A 13 -5.127 9.567 -3.021 1.00 0.57 O ATOM 187 CB GLU A 13 -7.050 11.864 -1.656 1.00 0.70 C ATOM 188 CG GLU A 13 -7.578 13.224 -2.119 1.00 1.14 C ATOM 189 CD GLU A 13 -7.613 14.193 -0.937 1.00 1.22 C ATOM 190 OE1 GLU A 13 -7.540 13.727 0.188 1.00 1.35 O ATOM 191 OE2 GLU A 13 -7.714 15.385 -1.175 1.00 2.16 O ATOM 0 H GLU A 13 -9.186 10.735 -2.268 1.00 0.55 H new ATOM 0 HA GLU A 13 -6.796 11.360 -3.729 1.00 0.59 H new ATOM 0 HB2 GLU A 13 -7.636 11.503 -0.811 1.00 0.70 H new ATOM 0 HB3 GLU A 13 -6.020 11.959 -1.312 1.00 0.70 H new ATOM 0 HG2 GLU A 13 -6.942 13.622 -2.909 1.00 1.14 H new ATOM 0 HG3 GLU A 13 -8.577 13.113 -2.540 1.00 1.14 H new ATOM 198 N ILE A 14 -6.706 8.731 -1.742 1.00 0.56 N ATOM 199 CA ILE A 14 -5.889 7.521 -1.435 1.00 0.54 C ATOM 200 C ILE A 14 -5.535 6.807 -2.743 1.00 0.51 C ATOM 201 O ILE A 14 -4.529 6.134 -2.843 1.00 0.46 O ATOM 202 CB ILE A 14 -6.699 6.581 -0.536 1.00 0.54 C ATOM 203 CG1 ILE A 14 -6.086 6.560 0.863 1.00 0.54 C ATOM 204 CG2 ILE A 14 -6.699 5.161 -1.112 1.00 0.50 C ATOM 205 CD1 ILE A 14 -7.099 5.976 1.846 1.00 0.36 C ATOM 0 H ILE A 14 -7.625 8.757 -1.300 1.00 0.56 H new ATOM 0 HA ILE A 14 -4.972 7.812 -0.922 1.00 0.54 H new ATOM 0 HB ILE A 14 -7.726 6.942 -0.484 1.00 0.54 H new ATOM 0 HG12 ILE A 14 -5.174 5.963 0.865 1.00 0.54 H new ATOM 0 HG13 ILE A 14 -5.807 7.569 1.166 1.00 0.54 H new ATOM 0 HG21 ILE A 14 -7.278 4.505 -0.462 1.00 0.50 H new ATOM 0 HG22 ILE A 14 -7.144 5.172 -2.107 1.00 0.50 H new ATOM 0 HG23 ILE A 14 -5.674 4.795 -1.177 1.00 0.50 H new ATOM 0 HD11 ILE A 14 -6.667 5.959 2.846 1.00 0.36 H new ATOM 0 HD12 ILE A 14 -7.999 6.592 1.850 1.00 0.36 H new ATOM 0 HD13 ILE A 14 -7.356 4.961 1.544 1.00 0.36 H new ATOM 217 N ILE A 15 -6.360 6.948 -3.745 1.00 0.55 N ATOM 218 CA ILE A 15 -6.082 6.282 -5.047 1.00 0.53 C ATOM 219 C ILE A 15 -4.997 7.066 -5.785 1.00 0.55 C ATOM 220 O ILE A 15 -4.099 6.501 -6.373 1.00 0.59 O ATOM 221 CB ILE A 15 -7.364 6.262 -5.876 1.00 0.46 C ATOM 222 CG1 ILE A 15 -8.080 4.916 -5.690 1.00 0.49 C ATOM 223 CG2 ILE A 15 -7.029 6.466 -7.354 1.00 0.58 C ATOM 224 CD1 ILE A 15 -9.589 5.127 -5.803 1.00 0.46 C ATOM 0 H ILE A 15 -7.218 7.499 -3.716 1.00 0.55 H new ATOM 0 HA ILE A 15 -5.740 5.260 -4.884 1.00 0.53 H new ATOM 0 HB ILE A 15 -8.018 7.068 -5.542 1.00 0.46 H new ATOM 0 HG12 ILE A 15 -7.743 4.205 -6.444 1.00 0.49 H new ATOM 0 HG13 ILE A 15 -7.832 4.491 -4.717 1.00 0.49 H new ATOM 0 HG21 ILE A 15 -7.947 6.451 -7.941 1.00 0.58 H new ATOM 0 HG22 ILE A 15 -6.531 7.427 -7.485 1.00 0.58 H new ATOM 0 HG23 ILE A 15 -6.370 5.666 -7.691 1.00 0.58 H new ATOM 0 HD11 ILE A 15 -10.101 4.174 -5.671 1.00 0.46 H new ATOM 0 HD12 ILE A 15 -9.918 5.824 -5.032 1.00 0.46 H new ATOM 0 HD13 ILE A 15 -9.827 5.534 -6.786 1.00 0.46 H new ATOM 236 N LYS A 16 -5.069 8.368 -5.751 1.00 0.54 N ATOM 237 CA LYS A 16 -4.029 9.185 -6.441 1.00 0.56 C ATOM 238 C LYS A 16 -2.651 8.777 -5.914 1.00 0.54 C ATOM 239 O LYS A 16 -1.738 8.507 -6.668 1.00 0.52 O ATOM 240 CB LYS A 16 -4.268 10.670 -6.155 1.00 0.57 C ATOM 241 CG LYS A 16 -4.065 11.478 -7.438 1.00 1.14 C ATOM 242 CD LYS A 16 -5.376 11.533 -8.223 1.00 1.00 C ATOM 243 CE LYS A 16 -6.405 12.351 -7.440 1.00 0.63 C ATOM 244 NZ LYS A 16 -6.929 13.449 -8.300 1.00 1.06 N ATOM 0 H LYS A 16 -5.799 8.900 -5.278 1.00 0.54 H new ATOM 0 HA LYS A 16 -4.080 9.016 -7.517 1.00 0.56 H new ATOM 0 HB2 LYS A 16 -5.279 10.820 -5.775 1.00 0.57 H new ATOM 0 HB3 LYS A 16 -3.582 11.017 -5.382 1.00 0.57 H new ATOM 0 HG2 LYS A 16 -3.732 12.487 -7.195 1.00 1.14 H new ATOM 0 HG3 LYS A 16 -3.284 11.023 -8.047 1.00 1.14 H new ATOM 0 HD2 LYS A 16 -5.208 11.982 -9.202 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -5.752 10.524 -8.395 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -7.223 11.709 -7.114 1.00 0.63 H new ATOM 0 HE3 LYS A 16 -5.948 12.766 -6.542 1.00 0.63 H new ATOM 0 HZ1 LYS A 16 -7.628 14.004 -7.767 1.00 1.06 H new ATOM 0 HZ2 LYS A 16 -6.145 14.067 -8.590 1.00 1.06 H new ATOM 0 HZ3 LYS A 16 -7.380 13.043 -9.144 1.00 1.06 H new ATOM 258 N THR A 17 -2.505 8.716 -4.619 1.00 0.60 N ATOM 259 CA THR A 17 -1.200 8.309 -4.026 1.00 0.63 C ATOM 260 C THR A 17 -0.939 6.841 -4.369 1.00 0.46 C ATOM 261 O THR A 17 0.188 6.420 -4.538 1.00 0.40 O ATOM 262 CB THR A 17 -1.262 8.469 -2.504 1.00 0.78 C ATOM 263 OG1 THR A 17 -1.682 9.788 -2.184 1.00 1.15 O ATOM 264 CG2 THR A 17 0.119 8.210 -1.901 1.00 0.83 C ATOM 0 H THR A 17 -3.237 8.932 -3.943 1.00 0.60 H new ATOM 0 HA THR A 17 -0.400 8.933 -4.425 1.00 0.63 H new ATOM 0 HB THR A 17 -1.973 7.751 -2.094 1.00 0.78 H new ATOM 0 HG1 THR A 17 -1.724 9.891 -1.210 1.00 1.15 H new ATOM 0 HG21 THR A 17 0.071 8.325 -0.818 1.00 0.83 H new ATOM 0 HG22 THR A 17 0.438 7.197 -2.145 1.00 0.83 H new ATOM 0 HG23 THR A 17 0.834 8.924 -2.310 1.00 0.83 H new ATOM 272 N LEU A 18 -1.981 6.064 -4.468 1.00 0.47 N ATOM 273 CA LEU A 18 -1.821 4.620 -4.798 1.00 0.43 C ATOM 274 C LEU A 18 -1.084 4.495 -6.137 1.00 0.40 C ATOM 275 O LEU A 18 -0.316 3.580 -6.353 1.00 0.60 O ATOM 276 CB LEU A 18 -3.225 3.991 -4.895 1.00 0.63 C ATOM 277 CG LEU A 18 -3.184 2.459 -5.066 1.00 0.91 C ATOM 278 CD1 LEU A 18 -3.168 2.107 -6.554 1.00 1.87 C ATOM 279 CD2 LEU A 18 -1.954 1.856 -4.382 1.00 0.40 C ATOM 0 H LEU A 18 -2.945 6.370 -4.333 1.00 0.47 H new ATOM 0 HA LEU A 18 -1.244 4.105 -4.030 1.00 0.43 H new ATOM 0 HB2 LEU A 18 -3.791 4.236 -3.996 1.00 0.63 H new ATOM 0 HB3 LEU A 18 -3.758 4.432 -5.737 1.00 0.63 H new ATOM 0 HG LEU A 18 -4.074 2.041 -4.596 1.00 0.91 H new ATOM 0 HD11 LEU A 18 -3.139 1.024 -6.671 1.00 1.87 H new ATOM 0 HD12 LEU A 18 -4.066 2.500 -7.030 1.00 1.87 H new ATOM 0 HD13 LEU A 18 -2.287 2.546 -7.022 1.00 1.87 H new ATOM 0 HD21 LEU A 18 -1.954 0.775 -4.521 1.00 0.40 H new ATOM 0 HD22 LEU A 18 -1.050 2.278 -4.821 1.00 0.40 H new ATOM 0 HD23 LEU A 18 -1.981 2.085 -3.317 1.00 0.40 H new ATOM 291 N ASN A 19 -1.315 5.411 -7.037 1.00 0.41 N ATOM 292 CA ASN A 19 -0.633 5.349 -8.362 1.00 0.34 C ATOM 293 C ASN A 19 0.724 6.057 -8.284 1.00 0.41 C ATOM 294 O ASN A 19 1.634 5.757 -9.034 1.00 0.44 O ATOM 295 CB ASN A 19 -1.503 6.038 -9.415 1.00 0.35 C ATOM 296 CG ASN A 19 -2.095 4.989 -10.358 1.00 0.92 C ATOM 297 OD1 ASN A 19 -2.480 3.920 -9.929 1.00 1.84 O ATOM 298 ND2 ASN A 19 -2.185 5.252 -11.633 1.00 1.06 N ATOM 0 H ASN A 19 -1.948 6.201 -6.912 1.00 0.41 H new ATOM 0 HA ASN A 19 -0.479 4.305 -8.637 1.00 0.34 H new ATOM 0 HB2 ASN A 19 -2.302 6.599 -8.931 1.00 0.35 H new ATOM 0 HB3 ASN A 19 -0.908 6.755 -9.980 1.00 0.35 H new ATOM 0 HD21 ASN A 19 -2.579 4.560 -12.270 1.00 1.06 H new ATOM 0 HD22 ASN A 19 -1.861 6.150 -11.993 1.00 1.06 H new ATOM 305 N SER A 20 0.867 6.997 -7.389 1.00 0.45 N ATOM 306 CA SER A 20 2.162 7.726 -7.272 1.00 0.53 C ATOM 307 C SER A 20 3.269 6.757 -6.844 1.00 0.56 C ATOM 308 O SER A 20 4.391 6.842 -7.303 1.00 0.64 O ATOM 309 CB SER A 20 2.025 8.834 -6.230 1.00 0.55 C ATOM 310 OG SER A 20 1.686 10.052 -6.880 1.00 1.21 O ATOM 0 H SER A 20 0.143 7.291 -6.734 1.00 0.45 H new ATOM 0 HA SER A 20 2.420 8.159 -8.238 1.00 0.53 H new ATOM 0 HB2 SER A 20 1.257 8.571 -5.502 1.00 0.55 H new ATOM 0 HB3 SER A 20 2.959 8.950 -5.681 1.00 0.55 H new ATOM 0 HG SER A 20 1.596 10.765 -6.213 1.00 1.21 H new ATOM 316 N LEU A 21 2.966 5.842 -5.965 1.00 0.53 N ATOM 317 CA LEU A 21 4.004 4.876 -5.505 1.00 0.55 C ATOM 318 C LEU A 21 4.197 3.773 -6.551 1.00 0.39 C ATOM 319 O LEU A 21 5.228 3.133 -6.603 1.00 0.50 O ATOM 320 CB LEU A 21 3.567 4.245 -4.182 1.00 0.62 C ATOM 321 CG LEU A 21 4.756 4.195 -3.221 1.00 1.64 C ATOM 322 CD1 LEU A 21 5.046 5.601 -2.695 1.00 3.12 C ATOM 323 CD2 LEU A 21 4.428 3.272 -2.046 1.00 1.09 C ATOM 0 H LEU A 21 2.044 5.721 -5.545 1.00 0.53 H new ATOM 0 HA LEU A 21 4.945 5.408 -5.366 1.00 0.55 H new ATOM 0 HB2 LEU A 21 2.755 4.824 -3.742 1.00 0.62 H new ATOM 0 HB3 LEU A 21 3.184 3.239 -4.356 1.00 0.62 H new ATOM 0 HG LEU A 21 5.631 3.815 -3.749 1.00 1.64 H new ATOM 0 HD11 LEU A 21 5.893 5.566 -2.010 1.00 3.12 H new ATOM 0 HD12 LEU A 21 5.282 6.260 -3.530 1.00 3.12 H new ATOM 0 HD13 LEU A 21 4.170 5.981 -2.169 1.00 3.12 H new ATOM 0 HD21 LEU A 21 5.276 3.238 -1.362 1.00 1.09 H new ATOM 0 HD22 LEU A 21 3.552 3.651 -1.519 1.00 1.09 H new ATOM 0 HD23 LEU A 21 4.221 2.269 -2.418 1.00 1.09 H new ATOM 335 N THR A 22 3.217 3.539 -7.384 1.00 0.35 N ATOM 336 CA THR A 22 3.359 2.470 -8.416 1.00 0.61 C ATOM 337 C THR A 22 4.266 2.939 -9.564 1.00 0.89 C ATOM 338 O THR A 22 4.547 2.188 -10.476 1.00 1.15 O ATOM 339 CB THR A 22 1.980 2.118 -8.975 1.00 0.79 C ATOM 340 OG1 THR A 22 1.350 3.296 -9.455 1.00 1.24 O ATOM 341 CG2 THR A 22 1.126 1.492 -7.871 1.00 2.29 C ATOM 0 H THR A 22 2.328 4.039 -7.395 1.00 0.35 H new ATOM 0 HA THR A 22 3.809 1.594 -7.949 1.00 0.61 H new ATOM 0 HB THR A 22 2.090 1.407 -9.794 1.00 0.79 H new ATOM 0 HG1 THR A 22 1.943 4.064 -9.317 1.00 1.24 H new ATOM 0 HG21 THR A 22 0.143 1.241 -8.270 1.00 2.29 H new ATOM 0 HG22 THR A 22 1.611 0.587 -7.505 1.00 2.29 H new ATOM 0 HG23 THR A 22 1.015 2.201 -7.051 1.00 2.29 H new ATOM 349 N GLU A 23 4.731 4.163 -9.540 1.00 0.92 N ATOM 350 CA GLU A 23 5.615 4.634 -10.641 1.00 1.26 C ATOM 351 C GLU A 23 6.988 3.972 -10.507 1.00 1.25 C ATOM 352 O GLU A 23 7.609 3.601 -11.483 1.00 1.51 O ATOM 353 CB GLU A 23 5.767 6.154 -10.561 1.00 1.46 C ATOM 354 CG GLU A 23 5.454 6.770 -11.926 1.00 2.29 C ATOM 355 CD GLU A 23 6.449 7.893 -12.219 1.00 2.06 C ATOM 356 OE1 GLU A 23 6.820 8.585 -11.286 1.00 1.09 O ATOM 357 OE2 GLU A 23 6.823 8.041 -13.371 1.00 3.28 O ATOM 0 H GLU A 23 4.537 4.849 -8.811 1.00 0.92 H new ATOM 0 HA GLU A 23 5.175 4.367 -11.602 1.00 1.26 H new ATOM 0 HB2 GLU A 23 5.094 6.558 -9.805 1.00 1.46 H new ATOM 0 HB3 GLU A 23 6.781 6.413 -10.257 1.00 1.46 H new ATOM 0 HG2 GLU A 23 5.511 6.007 -12.703 1.00 2.29 H new ATOM 0 HG3 GLU A 23 4.436 7.160 -11.936 1.00 2.29 H new ATOM 364 N GLN A 24 7.463 3.814 -9.302 1.00 0.98 N ATOM 365 CA GLN A 24 8.793 3.167 -9.099 1.00 0.96 C ATOM 366 C GLN A 24 8.614 1.896 -8.268 1.00 0.55 C ATOM 367 O GLN A 24 9.049 1.817 -7.136 1.00 0.39 O ATOM 368 CB GLN A 24 9.726 4.128 -8.360 1.00 1.14 C ATOM 369 CG GLN A 24 10.331 5.122 -9.355 1.00 2.14 C ATOM 370 CD GLN A 24 11.823 4.829 -9.526 1.00 2.25 C ATOM 371 OE1 GLN A 24 12.652 5.453 -8.895 1.00 1.79 O ATOM 372 NE2 GLN A 24 12.202 3.901 -10.361 1.00 3.54 N ATOM 0 H GLN A 24 6.988 4.105 -8.448 1.00 0.98 H new ATOM 0 HA GLN A 24 9.226 2.916 -10.067 1.00 0.96 H new ATOM 0 HB2 GLN A 24 9.175 4.662 -7.586 1.00 1.14 H new ATOM 0 HB3 GLN A 24 10.518 3.570 -7.860 1.00 1.14 H new ATOM 0 HG2 GLN A 24 9.822 5.046 -10.316 1.00 2.14 H new ATOM 0 HG3 GLN A 24 10.188 6.142 -8.998 1.00 2.14 H new ATOM 0 HE21 GLN A 24 11.506 3.377 -10.891 1.00 3.54 H new ATOM 0 HE22 GLN A 24 13.194 3.700 -10.484 1.00 3.54 H new ATOM 381 N LYS A 25 7.977 0.899 -8.818 1.00 0.66 N ATOM 382 CA LYS A 25 7.772 -0.364 -8.053 1.00 0.67 C ATOM 383 C LYS A 25 8.651 -1.471 -8.641 1.00 0.87 C ATOM 384 O LYS A 25 8.188 -2.328 -9.364 1.00 1.00 O ATOM 385 CB LYS A 25 6.301 -0.789 -8.130 1.00 1.00 C ATOM 386 CG LYS A 25 5.808 -0.694 -9.575 1.00 0.94 C ATOM 387 CD LYS A 25 4.506 -1.481 -9.724 1.00 1.70 C ATOM 388 CE LYS A 25 4.360 -1.960 -11.171 1.00 2.50 C ATOM 389 NZ LYS A 25 3.171 -2.850 -11.285 1.00 3.35 N ATOM 0 H LYS A 25 7.590 0.904 -9.762 1.00 0.66 H new ATOM 0 HA LYS A 25 8.045 -0.196 -7.011 1.00 0.67 H new ATOM 0 HB2 LYS A 25 6.188 -1.810 -7.764 1.00 1.00 H new ATOM 0 HB3 LYS A 25 5.695 -0.151 -7.487 1.00 1.00 H new ATOM 0 HG2 LYS A 25 5.648 0.349 -9.848 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.563 -1.089 -10.255 1.00 0.94 H new ATOM 0 HD2 LYS A 25 4.505 -2.334 -9.046 1.00 1.70 H new ATOM 0 HD3 LYS A 25 3.657 -0.855 -9.450 1.00 1.70 H new ATOM 0 HE2 LYS A 25 4.252 -1.105 -11.839 1.00 2.50 H new ATOM 0 HE3 LYS A 25 5.258 -2.495 -11.480 1.00 2.50 H new ATOM 0 HZ1 LYS A 25 3.073 -3.174 -12.268 1.00 3.35 H new ATOM 0 HZ2 LYS A 25 3.291 -3.672 -10.659 1.00 3.35 H new ATOM 0 HZ3 LYS A 25 2.317 -2.326 -11.007 1.00 3.35 H new ATOM 403 N THR A 26 9.918 -1.462 -8.332 1.00 0.92 N ATOM 404 CA THR A 26 10.822 -2.515 -8.873 1.00 1.14 C ATOM 405 C THR A 26 12.146 -2.485 -8.109 1.00 0.93 C ATOM 406 O THR A 26 12.691 -3.509 -7.749 1.00 1.02 O ATOM 407 CB THR A 26 11.080 -2.252 -10.360 1.00 1.31 C ATOM 408 OG1 THR A 26 10.913 -0.868 -10.630 1.00 0.88 O ATOM 409 CG2 THR A 26 10.091 -3.062 -11.200 1.00 2.06 C ATOM 0 H THR A 26 10.366 -0.772 -7.729 1.00 0.92 H new ATOM 0 HA THR A 26 10.356 -3.493 -8.756 1.00 1.14 H new ATOM 0 HB THR A 26 12.098 -2.550 -10.612 1.00 1.31 H new ATOM 0 HG1 THR A 26 11.079 -0.698 -11.581 1.00 0.88 H new ATOM 0 HG21 THR A 26 10.274 -2.875 -12.258 1.00 2.06 H new ATOM 0 HG22 THR A 26 10.221 -4.124 -10.991 1.00 2.06 H new ATOM 0 HG23 THR A 26 9.073 -2.765 -10.950 1.00 2.06 H new ATOM 417 N LEU A 27 12.667 -1.314 -7.857 1.00 0.72 N ATOM 418 CA LEU A 27 13.954 -1.214 -7.115 1.00 0.61 C ATOM 419 C LEU A 27 13.698 -1.437 -5.625 1.00 0.64 C ATOM 420 O LEU A 27 14.369 -2.216 -4.981 1.00 0.67 O ATOM 421 CB LEU A 27 14.558 0.174 -7.335 1.00 0.65 C ATOM 422 CG LEU A 27 16.075 0.106 -7.151 1.00 1.00 C ATOM 423 CD1 LEU A 27 16.763 0.387 -8.488 1.00 0.66 C ATOM 424 CD2 LEU A 27 16.509 1.154 -6.124 1.00 1.80 C ATOM 0 H LEU A 27 12.256 -0.423 -8.134 1.00 0.72 H new ATOM 0 HA LEU A 27 14.649 -1.971 -7.478 1.00 0.61 H new ATOM 0 HB2 LEU A 27 14.318 0.532 -8.336 1.00 0.65 H new ATOM 0 HB3 LEU A 27 14.127 0.885 -6.631 1.00 0.65 H new ATOM 0 HG LEU A 27 16.356 -0.887 -6.800 1.00 1.00 H new ATOM 0 HD11 LEU A 27 17.844 0.339 -8.358 1.00 0.66 H new ATOM 0 HD12 LEU A 27 16.452 -0.358 -9.221 1.00 0.66 H new ATOM 0 HD13 LEU A 27 16.484 1.380 -8.839 1.00 0.66 H new ATOM 0 HD21 LEU A 27 17.590 1.107 -5.991 1.00 1.80 H new ATOM 0 HD22 LEU A 27 16.229 2.147 -6.477 1.00 1.80 H new ATOM 0 HD23 LEU A 27 16.018 0.955 -5.172 1.00 1.80 H new ATOM 436 N CYS A 28 12.726 -0.770 -5.073 1.00 0.67 N ATOM 437 CA CYS A 28 12.418 -0.962 -3.627 1.00 0.70 C ATOM 438 C CYS A 28 11.420 -2.115 -3.469 1.00 0.77 C ATOM 439 O CYS A 28 11.251 -2.657 -2.395 1.00 0.80 O ATOM 440 CB CYS A 28 11.816 0.322 -3.052 1.00 0.72 C ATOM 441 SG CYS A 28 12.515 0.634 -1.412 1.00 1.12 S ATOM 0 H CYS A 28 12.130 -0.100 -5.559 1.00 0.67 H new ATOM 0 HA CYS A 28 13.336 -1.198 -3.089 1.00 0.70 H new ATOM 0 HB2 CYS A 28 12.025 1.162 -3.714 1.00 0.72 H new ATOM 0 HB3 CYS A 28 10.732 0.230 -2.986 1.00 0.72 H new ATOM 446 N THR A 29 10.762 -2.504 -4.534 1.00 0.78 N ATOM 447 CA THR A 29 9.787 -3.627 -4.449 1.00 0.82 C ATOM 448 C THR A 29 10.501 -4.968 -4.673 1.00 0.74 C ATOM 449 O THR A 29 9.865 -5.987 -4.860 1.00 0.68 O ATOM 450 CB THR A 29 8.706 -3.441 -5.513 1.00 0.88 C ATOM 451 OG1 THR A 29 9.287 -3.565 -6.801 1.00 0.84 O ATOM 452 CG2 THR A 29 8.085 -2.054 -5.363 1.00 0.80 C ATOM 0 H THR A 29 10.861 -2.088 -5.460 1.00 0.78 H new ATOM 0 HA THR A 29 9.333 -3.630 -3.458 1.00 0.82 H new ATOM 0 HB THR A 29 7.934 -4.201 -5.390 1.00 0.88 H new ATOM 0 HG1 THR A 29 8.622 -3.921 -7.427 1.00 0.84 H new ATOM 0 HG21 THR A 29 7.313 -1.917 -6.120 1.00 0.80 H new ATOM 0 HG22 THR A 29 7.642 -1.959 -4.372 1.00 0.80 H new ATOM 0 HG23 THR A 29 8.856 -1.294 -5.490 1.00 0.80 H new ATOM 460 N GLU A 30 11.814 -4.988 -4.656 1.00 0.75 N ATOM 461 CA GLU A 30 12.550 -6.272 -4.866 1.00 0.69 C ATOM 462 C GLU A 30 12.727 -7.005 -3.525 1.00 0.68 C ATOM 463 O GLU A 30 13.741 -7.625 -3.274 1.00 0.68 O ATOM 464 CB GLU A 30 13.926 -5.963 -5.469 1.00 0.70 C ATOM 465 CG GLU A 30 14.773 -5.187 -4.457 1.00 1.99 C ATOM 466 CD GLU A 30 16.126 -4.841 -5.084 1.00 2.09 C ATOM 467 OE1 GLU A 30 16.916 -5.750 -5.278 1.00 1.96 O ATOM 468 OE2 GLU A 30 16.348 -3.673 -5.359 1.00 2.89 O ATOM 0 H GLU A 30 12.405 -4.170 -4.506 1.00 0.75 H new ATOM 0 HA GLU A 30 11.982 -6.910 -5.543 1.00 0.69 H new ATOM 0 HB2 GLU A 30 14.429 -6.890 -5.744 1.00 0.70 H new ATOM 0 HB3 GLU A 30 13.810 -5.380 -6.383 1.00 0.70 H new ATOM 0 HG2 GLU A 30 14.256 -4.276 -4.156 1.00 1.99 H new ATOM 0 HG3 GLU A 30 14.919 -5.783 -3.556 1.00 1.99 H new ATOM 475 N LEU A 31 11.736 -6.960 -2.670 1.00 0.72 N ATOM 476 CA LEU A 31 11.819 -7.655 -1.364 1.00 0.73 C ATOM 477 C LEU A 31 10.507 -8.404 -1.166 1.00 0.79 C ATOM 478 O LEU A 31 9.499 -7.820 -0.822 1.00 1.46 O ATOM 479 CB LEU A 31 12.000 -6.636 -0.231 1.00 0.74 C ATOM 480 CG LEU A 31 13.261 -5.800 -0.470 1.00 0.78 C ATOM 481 CD1 LEU A 31 12.936 -4.320 -0.264 1.00 0.50 C ATOM 482 CD2 LEU A 31 14.349 -6.222 0.521 1.00 1.48 C ATOM 0 H LEU A 31 10.861 -6.461 -2.831 1.00 0.72 H new ATOM 0 HA LEU A 31 12.669 -8.337 -1.350 1.00 0.73 H new ATOM 0 HB2 LEU A 31 11.128 -5.985 -0.175 1.00 0.74 H new ATOM 0 HB3 LEU A 31 12.073 -7.154 0.725 1.00 0.74 H new ATOM 0 HG LEU A 31 13.614 -5.959 -1.489 1.00 0.78 H new ATOM 0 HD11 LEU A 31 13.832 -3.724 -0.434 1.00 0.50 H new ATOM 0 HD12 LEU A 31 12.160 -4.017 -0.967 1.00 0.50 H new ATOM 0 HD13 LEU A 31 12.584 -4.163 0.756 1.00 0.50 H new ATOM 0 HD21 LEU A 31 15.246 -5.627 0.351 1.00 1.48 H new ATOM 0 HD22 LEU A 31 13.995 -6.062 1.540 1.00 1.48 H new ATOM 0 HD23 LEU A 31 14.581 -7.278 0.379 1.00 1.48 H new ATOM 494 N THR A 32 10.521 -9.681 -1.429 1.00 0.56 N ATOM 495 CA THR A 32 9.289 -10.526 -1.311 1.00 0.51 C ATOM 496 C THR A 32 8.461 -10.145 -0.079 1.00 0.49 C ATOM 497 O THR A 32 8.955 -9.557 0.863 1.00 0.29 O ATOM 498 CB THR A 32 9.698 -11.994 -1.223 1.00 0.59 C ATOM 499 OG1 THR A 32 10.774 -12.132 -0.305 1.00 0.77 O ATOM 500 CG2 THR A 32 10.134 -12.481 -2.605 1.00 0.45 C ATOM 0 H THR A 32 11.353 -10.190 -1.728 1.00 0.56 H new ATOM 0 HA THR A 32 8.670 -10.358 -2.192 1.00 0.51 H new ATOM 0 HB THR A 32 8.853 -12.590 -0.879 1.00 0.59 H new ATOM 0 HG1 THR A 32 11.036 -13.075 -0.247 1.00 0.77 H new ATOM 0 HG21 THR A 32 10.427 -13.529 -2.546 1.00 0.45 H new ATOM 0 HG22 THR A 32 9.306 -12.375 -3.306 1.00 0.45 H new ATOM 0 HG23 THR A 32 10.980 -11.887 -2.950 1.00 0.45 H new ATOM 508 N VAL A 33 7.193 -10.469 -0.093 1.00 0.71 N ATOM 509 CA VAL A 33 6.312 -10.120 1.056 1.00 0.70 C ATOM 510 C VAL A 33 5.110 -11.064 1.077 1.00 0.63 C ATOM 511 O VAL A 33 4.828 -11.748 0.112 1.00 0.85 O ATOM 512 CB VAL A 33 5.811 -8.685 0.891 1.00 0.64 C ATOM 513 CG1 VAL A 33 6.929 -7.707 1.251 1.00 0.92 C ATOM 514 CG2 VAL A 33 5.388 -8.462 -0.564 1.00 0.43 C ATOM 0 H VAL A 33 6.730 -10.963 -0.856 1.00 0.71 H new ATOM 0 HA VAL A 33 6.873 -10.213 1.986 1.00 0.70 H new ATOM 0 HB VAL A 33 4.959 -8.518 1.551 1.00 0.64 H new ATOM 0 HG11 VAL A 33 6.570 -6.685 1.133 1.00 0.92 H new ATOM 0 HG12 VAL A 33 7.234 -7.867 2.285 1.00 0.92 H new ATOM 0 HG13 VAL A 33 7.782 -7.871 0.592 1.00 0.92 H new ATOM 0 HG21 VAL A 33 5.030 -7.440 -0.686 1.00 0.43 H new ATOM 0 HG22 VAL A 33 6.242 -8.628 -1.221 1.00 0.43 H new ATOM 0 HG23 VAL A 33 4.591 -9.159 -0.822 1.00 0.43 H new ATOM 524 N THR A 34 4.397 -11.105 2.168 1.00 0.96 N ATOM 525 CA THR A 34 3.214 -12.005 2.247 1.00 0.86 C ATOM 526 C THR A 34 2.179 -11.588 1.201 1.00 0.75 C ATOM 527 O THR A 34 1.651 -10.494 1.232 1.00 1.11 O ATOM 528 CB THR A 34 2.586 -11.911 3.644 1.00 0.88 C ATOM 529 OG1 THR A 34 3.046 -12.993 4.442 1.00 0.86 O ATOM 530 CG2 THR A 34 1.055 -11.965 3.536 1.00 1.01 C ATOM 0 H THR A 34 4.582 -10.555 3.007 1.00 0.96 H new ATOM 0 HA THR A 34 3.532 -13.030 2.058 1.00 0.86 H new ATOM 0 HB THR A 34 2.876 -10.967 4.105 1.00 0.88 H new ATOM 0 HG1 THR A 34 3.374 -12.651 5.300 1.00 0.86 H new ATOM 0 HG21 THR A 34 0.617 -11.898 4.532 1.00 1.01 H new ATOM 0 HG22 THR A 34 0.704 -11.131 2.928 1.00 1.01 H new ATOM 0 HG23 THR A 34 0.756 -12.904 3.071 1.00 1.01 H new ATOM 538 N ASP A 35 1.880 -12.459 0.282 1.00 0.35 N ATOM 539 CA ASP A 35 0.868 -12.129 -0.759 1.00 0.28 C ATOM 540 C ASP A 35 -0.530 -12.274 -0.158 1.00 0.20 C ATOM 541 O ASP A 35 -0.914 -13.332 0.296 1.00 0.20 O ATOM 542 CB ASP A 35 1.009 -13.102 -1.927 1.00 0.20 C ATOM 543 CG ASP A 35 0.628 -12.395 -3.229 1.00 0.69 C ATOM 544 OD1 ASP A 35 0.911 -11.214 -3.344 1.00 1.64 O ATOM 545 OD2 ASP A 35 0.060 -13.046 -4.089 1.00 0.65 O ATOM 0 H ASP A 35 2.293 -13.388 0.205 1.00 0.35 H new ATOM 0 HA ASP A 35 1.021 -11.108 -1.109 1.00 0.28 H new ATOM 0 HB2 ASP A 35 2.034 -13.469 -1.987 1.00 0.20 H new ATOM 0 HB3 ASP A 35 0.368 -13.970 -1.771 1.00 0.20 H new ATOM 550 N ILE A 36 -1.298 -11.226 -0.148 1.00 0.20 N ATOM 551 CA ILE A 36 -2.665 -11.324 0.428 1.00 0.12 C ATOM 552 C ILE A 36 -3.693 -11.423 -0.705 1.00 0.14 C ATOM 553 O ILE A 36 -4.830 -11.016 -0.565 1.00 0.33 O ATOM 554 CB ILE A 36 -2.932 -10.089 1.289 1.00 0.17 C ATOM 555 CG1 ILE A 36 -3.366 -8.924 0.393 1.00 0.17 C ATOM 556 CG2 ILE A 36 -1.652 -9.709 2.037 1.00 0.24 C ATOM 557 CD1 ILE A 36 -2.988 -7.598 1.056 1.00 0.34 C ATOM 0 H ILE A 36 -1.041 -10.308 -0.512 1.00 0.20 H new ATOM 0 HA ILE A 36 -2.747 -12.216 1.049 1.00 0.12 H new ATOM 0 HB ILE A 36 -3.724 -10.307 2.006 1.00 0.17 H new ATOM 0 HG12 ILE A 36 -2.886 -9.004 -0.583 1.00 0.17 H new ATOM 0 HG13 ILE A 36 -4.442 -8.964 0.223 1.00 0.17 H new ATOM 0 HG21 ILE A 36 -1.838 -8.829 2.652 1.00 0.24 H new ATOM 0 HG22 ILE A 36 -1.343 -10.538 2.674 1.00 0.24 H new ATOM 0 HG23 ILE A 36 -0.862 -9.489 1.319 1.00 0.24 H new ATOM 0 HD11 ILE A 36 -3.297 -6.771 0.417 1.00 0.34 H new ATOM 0 HD12 ILE A 36 -3.488 -7.518 2.021 1.00 0.34 H new ATOM 0 HD13 ILE A 36 -1.909 -7.559 1.203 1.00 0.34 H new ATOM 569 N PHE A 37 -3.302 -11.972 -1.825 1.00 0.31 N ATOM 570 CA PHE A 37 -4.252 -12.106 -2.965 1.00 0.36 C ATOM 571 C PHE A 37 -4.155 -13.520 -3.545 1.00 0.50 C ATOM 572 O PHE A 37 -4.334 -13.727 -4.729 1.00 0.67 O ATOM 573 CB PHE A 37 -3.893 -11.091 -4.052 1.00 0.36 C ATOM 574 CG PHE A 37 -4.076 -9.690 -3.523 1.00 0.23 C ATOM 575 CD1 PHE A 37 -5.329 -9.274 -3.057 1.00 0.46 C ATOM 576 CD2 PHE A 37 -2.990 -8.805 -3.498 1.00 0.23 C ATOM 577 CE1 PHE A 37 -5.497 -7.973 -2.568 1.00 0.60 C ATOM 578 CE2 PHE A 37 -3.158 -7.504 -3.009 1.00 0.37 C ATOM 579 CZ PHE A 37 -4.413 -7.088 -2.544 1.00 0.54 C ATOM 0 H PHE A 37 -2.364 -12.333 -1.998 1.00 0.31 H new ATOM 0 HA PHE A 37 -5.267 -11.922 -2.613 1.00 0.36 H new ATOM 0 HB2 PHE A 37 -2.861 -11.237 -4.372 1.00 0.36 H new ATOM 0 HB3 PHE A 37 -4.523 -11.244 -4.928 1.00 0.36 H new ATOM 0 HD1 PHE A 37 -6.166 -9.957 -3.075 1.00 0.46 H new ATOM 0 HD2 PHE A 37 -2.023 -9.127 -3.856 1.00 0.23 H new ATOM 0 HE1 PHE A 37 -6.464 -7.652 -2.209 1.00 0.60 H new ATOM 0 HE2 PHE A 37 -2.321 -6.821 -2.990 1.00 0.37 H new ATOM 0 HZ PHE A 37 -4.544 -6.084 -2.167 1.00 0.54 H new ATOM 589 N ALA A 38 -3.868 -14.494 -2.725 1.00 0.49 N ATOM 590 CA ALA A 38 -3.754 -15.889 -3.238 1.00 0.64 C ATOM 591 C ALA A 38 -5.150 -16.485 -3.427 1.00 0.99 C ATOM 592 O ALA A 38 -5.447 -17.086 -4.439 1.00 1.43 O ATOM 593 CB ALA A 38 -2.969 -16.739 -2.239 1.00 0.40 C ATOM 0 H ALA A 38 -3.708 -14.385 -1.724 1.00 0.49 H new ATOM 0 HA ALA A 38 -3.233 -15.878 -4.195 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -2.886 -17.759 -2.615 1.00 0.40 H new ATOM 0 HB2 ALA A 38 -1.972 -16.319 -2.108 1.00 0.40 H new ATOM 0 HB3 ALA A 38 -3.488 -16.747 -1.281 1.00 0.40 H new ATOM 599 N ALA A 39 -6.007 -16.325 -2.459 1.00 1.03 N ATOM 600 CA ALA A 39 -7.383 -16.884 -2.581 1.00 1.54 C ATOM 601 C ALA A 39 -8.378 -15.940 -1.906 1.00 1.37 C ATOM 602 O ALA A 39 -8.128 -15.418 -0.838 1.00 1.15 O ATOM 603 CB ALA A 39 -7.439 -18.253 -1.902 1.00 2.10 C ATOM 0 H ALA A 39 -5.815 -15.831 -1.587 1.00 1.03 H new ATOM 0 HA ALA A 39 -7.640 -16.990 -3.635 1.00 1.54 H new ATOM 0 HB1 ALA A 39 -8.445 -18.662 -1.991 1.00 2.10 H new ATOM 0 HB2 ALA A 39 -6.729 -18.927 -2.382 1.00 2.10 H new ATOM 0 HB3 ALA A 39 -7.182 -18.147 -0.848 1.00 2.10 H new ATOM 609 N SER A 40 -9.509 -15.720 -2.519 1.00 1.55 N ATOM 610 CA SER A 40 -10.521 -14.812 -1.911 1.00 1.45 C ATOM 611 C SER A 40 -11.889 -15.493 -1.935 1.00 1.54 C ATOM 612 O SER A 40 -12.395 -15.859 -2.976 1.00 1.94 O ATOM 613 CB SER A 40 -10.584 -13.509 -2.710 1.00 1.44 C ATOM 614 OG SER A 40 -11.541 -13.644 -3.752 1.00 3.09 O ATOM 0 H SER A 40 -9.775 -16.130 -3.414 1.00 1.55 H new ATOM 0 HA SER A 40 -10.241 -14.591 -0.881 1.00 1.45 H new ATOM 0 HB2 SER A 40 -10.856 -12.680 -2.056 1.00 1.44 H new ATOM 0 HB3 SER A 40 -9.604 -13.277 -3.128 1.00 1.44 H new ATOM 0 HG SER A 40 -11.638 -14.591 -3.987 1.00 3.09 H new ATOM 620 N LYS A 41 -12.494 -15.668 -0.792 1.00 1.19 N ATOM 621 CA LYS A 41 -13.829 -16.326 -0.749 1.00 1.31 C ATOM 622 C LYS A 41 -14.860 -15.350 -0.180 1.00 1.21 C ATOM 623 O LYS A 41 -15.929 -15.171 -0.729 1.00 1.26 O ATOM 624 CB LYS A 41 -13.757 -17.567 0.143 1.00 1.19 C ATOM 625 CG LYS A 41 -15.039 -18.387 -0.018 1.00 1.99 C ATOM 626 CD LYS A 41 -15.474 -18.925 1.347 1.00 2.31 C ATOM 627 CE LYS A 41 -15.646 -20.443 1.270 1.00 3.00 C ATOM 628 NZ LYS A 41 -14.437 -21.109 1.832 1.00 2.92 N ATOM 0 H LYS A 41 -12.121 -15.383 0.114 1.00 1.19 H new ATOM 0 HA LYS A 41 -14.122 -16.619 -1.757 1.00 1.31 H new ATOM 0 HB2 LYS A 41 -12.890 -18.171 -0.126 1.00 1.19 H new ATOM 0 HB3 LYS A 41 -13.630 -17.272 1.185 1.00 1.19 H new ATOM 0 HG2 LYS A 41 -15.828 -17.768 -0.445 1.00 1.99 H new ATOM 0 HG3 LYS A 41 -14.871 -19.212 -0.710 1.00 1.99 H new ATOM 0 HD2 LYS A 41 -14.731 -18.671 2.103 1.00 2.31 H new ATOM 0 HD3 LYS A 41 -16.411 -18.458 1.651 1.00 2.31 H new ATOM 0 HE2 LYS A 41 -16.533 -20.748 1.825 1.00 3.00 H new ATOM 0 HE3 LYS A 41 -15.796 -20.751 0.235 1.00 3.00 H new ATOM 0 HZ1 LYS A 41 -14.553 -22.141 1.780 1.00 2.92 H new ATOM 0 HZ2 LYS A 41 -13.599 -20.827 1.284 1.00 2.92 H new ATOM 0 HZ3 LYS A 41 -14.314 -20.824 2.825 1.00 2.92 H new ATOM 642 N ASP A 42 -14.548 -14.717 0.917 1.00 1.12 N ATOM 643 CA ASP A 42 -15.512 -13.754 1.519 1.00 1.03 C ATOM 644 C ASP A 42 -14.746 -12.626 2.211 1.00 0.93 C ATOM 645 O ASP A 42 -14.941 -12.354 3.378 1.00 0.90 O ATOM 646 CB ASP A 42 -16.387 -14.479 2.543 1.00 1.20 C ATOM 647 CG ASP A 42 -17.562 -15.148 1.827 1.00 2.22 C ATOM 648 OD1 ASP A 42 -17.360 -16.213 1.269 1.00 2.72 O ATOM 649 OD2 ASP A 42 -18.642 -14.581 1.847 1.00 2.84 O ATOM 0 H ASP A 42 -13.668 -14.825 1.422 1.00 1.12 H new ATOM 0 HA ASP A 42 -16.142 -13.336 0.734 1.00 1.03 H new ATOM 0 HB2 ASP A 42 -15.799 -15.226 3.076 1.00 1.20 H new ATOM 0 HB3 ASP A 42 -16.755 -13.773 3.287 1.00 1.20 H new ATOM 654 N THR A 43 -13.878 -11.961 1.498 1.00 0.92 N ATOM 655 CA THR A 43 -13.107 -10.845 2.116 1.00 0.86 C ATOM 656 C THR A 43 -13.812 -9.522 1.812 1.00 0.66 C ATOM 657 O THR A 43 -14.968 -9.497 1.439 1.00 1.49 O ATOM 658 CB THR A 43 -11.690 -10.817 1.539 1.00 1.16 C ATOM 659 OG1 THR A 43 -11.495 -11.955 0.711 1.00 1.57 O ATOM 660 CG2 THR A 43 -10.672 -10.833 2.682 1.00 0.80 C ATOM 0 H THR A 43 -13.670 -12.142 0.516 1.00 0.92 H new ATOM 0 HA THR A 43 -13.050 -10.991 3.195 1.00 0.86 H new ATOM 0 HB THR A 43 -11.555 -9.911 0.948 1.00 1.16 H new ATOM 0 HG1 THR A 43 -10.588 -11.938 0.339 1.00 1.57 H new ATOM 0 HG21 THR A 43 -9.663 -10.813 2.271 1.00 0.80 H new ATOM 0 HG22 THR A 43 -10.823 -9.959 3.316 1.00 0.80 H new ATOM 0 HG23 THR A 43 -10.804 -11.738 3.275 1.00 0.80 H new ATOM 668 N THR A 44 -13.130 -8.421 1.966 1.00 0.66 N ATOM 669 CA THR A 44 -13.772 -7.107 1.685 1.00 0.26 C ATOM 670 C THR A 44 -12.713 -6.082 1.291 1.00 0.33 C ATOM 671 O THR A 44 -11.532 -6.367 1.282 1.00 0.47 O ATOM 672 CB THR A 44 -14.511 -6.623 2.934 1.00 0.66 C ATOM 673 OG1 THR A 44 -14.955 -7.745 3.684 1.00 0.81 O ATOM 674 CG2 THR A 44 -15.714 -5.775 2.523 1.00 0.92 C ATOM 0 H THR A 44 -12.159 -8.374 2.273 1.00 0.66 H new ATOM 0 HA THR A 44 -14.479 -7.224 0.863 1.00 0.26 H new ATOM 0 HB THR A 44 -13.837 -6.021 3.543 1.00 0.66 H new ATOM 0 HG1 THR A 44 -15.427 -7.437 4.485 1.00 0.81 H new ATOM 0 HG21 THR A 44 -16.239 -5.432 3.415 1.00 0.92 H new ATOM 0 HG22 THR A 44 -15.373 -4.914 1.948 1.00 0.92 H new ATOM 0 HG23 THR A 44 -16.390 -6.374 1.912 1.00 0.92 H new ATOM 682 N GLU A 45 -13.127 -4.889 0.966 1.00 0.44 N ATOM 683 CA GLU A 45 -12.145 -3.842 0.578 1.00 0.57 C ATOM 684 C GLU A 45 -11.417 -3.359 1.832 1.00 0.63 C ATOM 685 O GLU A 45 -10.226 -3.138 1.820 1.00 0.76 O ATOM 686 CB GLU A 45 -12.880 -2.668 -0.077 1.00 0.52 C ATOM 687 CG GLU A 45 -13.779 -1.988 0.956 1.00 0.43 C ATOM 688 CD GLU A 45 -14.702 -0.990 0.256 1.00 0.26 C ATOM 689 OE1 GLU A 45 -15.774 -1.396 -0.161 1.00 1.16 O ATOM 690 OE2 GLU A 45 -14.321 0.165 0.148 1.00 0.99 O ATOM 0 H GLU A 45 -14.104 -4.595 0.953 1.00 0.44 H new ATOM 0 HA GLU A 45 -11.426 -4.252 -0.131 1.00 0.57 H new ATOM 0 HB2 GLU A 45 -12.161 -1.952 -0.476 1.00 0.52 H new ATOM 0 HB3 GLU A 45 -13.477 -3.022 -0.917 1.00 0.52 H new ATOM 0 HG2 GLU A 45 -14.370 -2.735 1.486 1.00 0.43 H new ATOM 0 HG3 GLU A 45 -13.171 -1.475 1.701 1.00 0.43 H new ATOM 697 N LYS A 46 -12.126 -3.205 2.918 1.00 0.57 N ATOM 698 CA LYS A 46 -11.473 -2.746 4.174 1.00 0.66 C ATOM 699 C LYS A 46 -10.520 -3.835 4.670 1.00 0.72 C ATOM 700 O LYS A 46 -9.490 -3.556 5.250 1.00 0.75 O ATOM 701 CB LYS A 46 -12.542 -2.477 5.237 1.00 0.62 C ATOM 702 CG LYS A 46 -13.156 -3.802 5.690 1.00 0.77 C ATOM 703 CD LYS A 46 -14.518 -3.542 6.339 1.00 0.67 C ATOM 704 CE LYS A 46 -14.324 -2.779 7.649 1.00 0.89 C ATOM 705 NZ LYS A 46 -13.759 -3.695 8.680 1.00 2.40 N ATOM 0 H LYS A 46 -13.129 -3.378 2.988 1.00 0.57 H new ATOM 0 HA LYS A 46 -10.915 -1.829 3.985 1.00 0.66 H new ATOM 0 HB2 LYS A 46 -12.101 -1.959 6.088 1.00 0.62 H new ATOM 0 HB3 LYS A 46 -13.316 -1.825 4.833 1.00 0.62 H new ATOM 0 HG2 LYS A 46 -13.270 -4.472 4.838 1.00 0.77 H new ATOM 0 HG3 LYS A 46 -12.493 -4.298 6.399 1.00 0.77 H new ATOM 0 HD2 LYS A 46 -15.151 -2.968 5.662 1.00 0.67 H new ATOM 0 HD3 LYS A 46 -15.028 -4.486 6.529 1.00 0.67 H new ATOM 0 HE2 LYS A 46 -13.655 -1.933 7.493 1.00 0.89 H new ATOM 0 HE3 LYS A 46 -15.276 -2.374 7.990 1.00 0.89 H new ATOM 0 HZ1 LYS A 46 -13.800 -3.236 9.612 1.00 2.40 H new ATOM 0 HZ2 LYS A 46 -14.312 -4.575 8.703 1.00 2.40 H new ATOM 0 HZ3 LYS A 46 -12.770 -3.914 8.445 1.00 2.40 H new ATOM 719 N GLU A 47 -10.855 -5.076 4.441 1.00 0.73 N ATOM 720 CA GLU A 47 -9.969 -6.184 4.895 1.00 0.79 C ATOM 721 C GLU A 47 -8.690 -6.181 4.056 1.00 0.78 C ATOM 722 O GLU A 47 -7.604 -6.391 4.560 1.00 0.80 O ATOM 723 CB GLU A 47 -10.689 -7.522 4.716 1.00 0.87 C ATOM 724 CG GLU A 47 -11.011 -8.123 6.086 1.00 0.84 C ATOM 725 CD GLU A 47 -12.468 -7.825 6.446 1.00 1.22 C ATOM 726 OE1 GLU A 47 -12.847 -6.667 6.385 1.00 2.43 O ATOM 727 OE2 GLU A 47 -13.179 -8.759 6.775 1.00 1.58 O ATOM 0 H GLU A 47 -11.705 -5.370 3.959 1.00 0.73 H new ATOM 0 HA GLU A 47 -9.720 -6.044 5.947 1.00 0.79 H new ATOM 0 HB2 GLU A 47 -11.607 -7.378 4.147 1.00 0.87 H new ATOM 0 HB3 GLU A 47 -10.064 -8.209 4.145 1.00 0.87 H new ATOM 0 HG2 GLU A 47 -10.842 -9.200 6.071 1.00 0.84 H new ATOM 0 HG3 GLU A 47 -10.346 -7.707 6.843 1.00 0.84 H new ATOM 734 N THR A 48 -8.810 -5.953 2.777 1.00 0.78 N ATOM 735 CA THR A 48 -7.599 -5.945 1.905 1.00 0.79 C ATOM 736 C THR A 48 -6.777 -4.672 2.149 1.00 0.78 C ATOM 737 O THR A 48 -5.593 -4.633 1.874 1.00 0.83 O ATOM 738 CB THR A 48 -8.032 -5.998 0.439 1.00 0.80 C ATOM 739 OG1 THR A 48 -8.209 -7.352 0.049 1.00 1.29 O ATOM 740 CG2 THR A 48 -6.960 -5.350 -0.438 1.00 1.09 C ATOM 0 H THR A 48 -9.692 -5.772 2.298 1.00 0.78 H new ATOM 0 HA THR A 48 -6.984 -6.813 2.142 1.00 0.79 H new ATOM 0 HB THR A 48 -8.971 -5.457 0.319 1.00 0.80 H new ATOM 0 HG1 THR A 48 -8.488 -7.388 -0.890 1.00 1.29 H new ATOM 0 HG21 THR A 48 -7.271 -5.389 -1.482 1.00 1.09 H new ATOM 0 HG22 THR A 48 -6.824 -4.311 -0.139 1.00 1.09 H new ATOM 0 HG23 THR A 48 -6.019 -5.887 -0.319 1.00 1.09 H new ATOM 748 N PHE A 49 -7.385 -3.631 2.655 1.00 0.73 N ATOM 749 CA PHE A 49 -6.619 -2.374 2.898 1.00 0.72 C ATOM 750 C PHE A 49 -5.863 -2.475 4.224 1.00 0.69 C ATOM 751 O PHE A 49 -4.820 -1.877 4.396 1.00 0.67 O ATOM 752 CB PHE A 49 -7.579 -1.180 2.953 1.00 0.77 C ATOM 753 CG PHE A 49 -8.112 -0.867 1.572 1.00 0.79 C ATOM 754 CD1 PHE A 49 -7.262 -0.882 0.455 1.00 1.35 C ATOM 755 CD2 PHE A 49 -9.468 -0.553 1.409 1.00 0.70 C ATOM 756 CE1 PHE A 49 -7.769 -0.588 -0.816 1.00 1.40 C ATOM 757 CE2 PHE A 49 -9.973 -0.259 0.137 1.00 0.70 C ATOM 758 CZ PHE A 49 -9.124 -0.278 -0.975 1.00 0.88 C ATOM 0 H PHE A 49 -8.372 -3.597 2.909 1.00 0.73 H new ATOM 0 HA PHE A 49 -5.909 -2.231 2.084 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -8.406 -1.401 3.627 1.00 0.77 H new ATOM 0 HB3 PHE A 49 -7.063 -0.309 3.357 1.00 0.77 H new ATOM 0 HD1 PHE A 49 -6.216 -1.121 0.576 1.00 1.35 H new ATOM 0 HD2 PHE A 49 -10.125 -0.538 2.266 1.00 0.70 H new ATOM 0 HE1 PHE A 49 -7.114 -0.600 -1.675 1.00 1.40 H new ATOM 0 HE2 PHE A 49 -11.018 -0.017 0.014 1.00 0.70 H new ATOM 0 HZ PHE A 49 -9.515 -0.053 -1.956 1.00 0.88 H new ATOM 768 N CYS A 50 -6.376 -3.221 5.163 1.00 0.74 N ATOM 769 CA CYS A 50 -5.672 -3.348 6.470 1.00 0.70 C ATOM 770 C CYS A 50 -4.513 -4.334 6.325 1.00 0.67 C ATOM 771 O CYS A 50 -3.416 -4.081 6.776 1.00 0.73 O ATOM 772 CB CYS A 50 -6.647 -3.863 7.531 1.00 0.71 C ATOM 773 SG CYS A 50 -5.741 -4.205 9.062 1.00 0.82 S ATOM 0 H CYS A 50 -7.247 -3.745 5.083 1.00 0.74 H new ATOM 0 HA CYS A 50 -5.290 -2.373 6.773 1.00 0.70 H new ATOM 0 HB2 CYS A 50 -7.427 -3.124 7.714 1.00 0.71 H new ATOM 0 HB3 CYS A 50 -7.142 -4.768 7.178 1.00 0.71 H new ATOM 778 N ARG A 51 -4.746 -5.453 5.695 1.00 0.60 N ATOM 779 CA ARG A 51 -3.650 -6.446 5.519 1.00 0.57 C ATOM 780 C ARG A 51 -2.545 -5.817 4.667 1.00 0.61 C ATOM 781 O ARG A 51 -1.384 -5.818 5.032 1.00 0.64 O ATOM 782 CB ARG A 51 -4.196 -7.693 4.819 1.00 0.51 C ATOM 783 CG ARG A 51 -4.482 -8.779 5.858 1.00 0.53 C ATOM 784 CD ARG A 51 -5.651 -9.643 5.385 1.00 0.38 C ATOM 785 NE ARG A 51 -5.711 -10.890 6.201 1.00 0.57 N ATOM 786 CZ ARG A 51 -6.774 -11.660 6.181 1.00 0.81 C ATOM 787 NH1 ARG A 51 -7.815 -11.364 5.439 1.00 0.79 N ATOM 788 NH2 ARG A 51 -6.793 -12.744 6.907 1.00 1.47 N ATOM 0 H ARG A 51 -5.645 -5.722 5.296 1.00 0.60 H new ATOM 0 HA ARG A 51 -3.248 -6.731 6.491 1.00 0.57 H new ATOM 0 HB2 ARG A 51 -5.108 -7.447 4.274 1.00 0.51 H new ATOM 0 HB3 ARG A 51 -3.475 -8.057 4.087 1.00 0.51 H new ATOM 0 HG2 ARG A 51 -3.596 -9.397 6.007 1.00 0.53 H new ATOM 0 HG3 ARG A 51 -4.718 -8.324 6.820 1.00 0.53 H new ATOM 0 HD2 ARG A 51 -6.586 -9.090 5.477 1.00 0.38 H new ATOM 0 HD3 ARG A 51 -5.530 -9.891 4.331 1.00 0.38 H new ATOM 0 HE ARG A 51 -4.914 -11.148 6.783 1.00 0.57 H new ATOM 0 HH11 ARG A 51 -7.808 -10.522 4.863 1.00 0.79 H new ATOM 0 HH12 ARG A 51 -8.631 -11.976 5.438 1.00 0.79 H new ATOM 0 HH21 ARG A 51 -5.987 -12.986 7.483 1.00 1.47 H new ATOM 0 HH22 ARG A 51 -7.614 -13.349 6.899 1.00 1.47 H new ATOM 802 N ALA A 52 -2.899 -5.269 3.536 1.00 0.60 N ATOM 803 CA ALA A 52 -1.871 -4.631 2.669 1.00 0.63 C ATOM 804 C ALA A 52 -1.276 -3.424 3.395 1.00 0.67 C ATOM 805 O ALA A 52 -0.137 -3.064 3.184 1.00 0.62 O ATOM 806 CB ALA A 52 -2.516 -4.167 1.360 1.00 0.64 C ATOM 0 H ALA A 52 -3.853 -5.236 3.177 1.00 0.60 H new ATOM 0 HA ALA A 52 -1.085 -5.353 2.449 1.00 0.63 H new ATOM 0 HB1 ALA A 52 -1.761 -3.700 0.728 1.00 0.64 H new ATOM 0 HB2 ALA A 52 -2.944 -5.025 0.841 1.00 0.64 H new ATOM 0 HB3 ALA A 52 -3.303 -3.445 1.578 1.00 0.64 H new ATOM 812 N ALA A 53 -2.037 -2.797 4.254 1.00 0.78 N ATOM 813 CA ALA A 53 -1.508 -1.618 4.996 1.00 0.82 C ATOM 814 C ALA A 53 -0.425 -2.086 5.968 1.00 0.76 C ATOM 815 O ALA A 53 0.510 -1.369 6.260 1.00 0.70 O ATOM 816 CB ALA A 53 -2.641 -0.943 5.772 1.00 0.89 C ATOM 0 H ALA A 53 -3.000 -3.051 4.472 1.00 0.78 H new ATOM 0 HA ALA A 53 -1.085 -0.901 4.292 1.00 0.82 H new ATOM 0 HB1 ALA A 53 -2.249 -0.082 6.313 1.00 0.89 H new ATOM 0 HB2 ALA A 53 -3.413 -0.614 5.076 1.00 0.89 H new ATOM 0 HB3 ALA A 53 -3.069 -1.652 6.481 1.00 0.89 H new ATOM 822 N THR A 54 -0.531 -3.292 6.458 1.00 0.79 N ATOM 823 CA THR A 54 0.511 -3.805 7.389 1.00 0.75 C ATOM 824 C THR A 54 1.793 -3.994 6.585 1.00 0.74 C ATOM 825 O THR A 54 2.867 -3.582 6.989 1.00 0.72 O ATOM 826 CB THR A 54 0.066 -5.146 7.980 1.00 0.79 C ATOM 827 OG1 THR A 54 -1.088 -4.949 8.785 1.00 1.13 O ATOM 828 CG2 THR A 54 1.194 -5.727 8.836 1.00 0.51 C ATOM 0 H THR A 54 -1.291 -3.941 6.254 1.00 0.79 H new ATOM 0 HA THR A 54 0.671 -3.105 8.209 1.00 0.75 H new ATOM 0 HB THR A 54 -0.169 -5.839 7.172 1.00 0.79 H new ATOM 0 HG1 THR A 54 -1.840 -4.677 8.218 1.00 1.13 H new ATOM 0 HG21 THR A 54 0.877 -6.681 9.257 1.00 0.51 H new ATOM 0 HG22 THR A 54 2.079 -5.879 8.218 1.00 0.51 H new ATOM 0 HG23 THR A 54 1.431 -5.035 9.644 1.00 0.51 H new ATOM 836 N VAL A 55 1.681 -4.590 5.428 1.00 0.78 N ATOM 837 CA VAL A 55 2.878 -4.781 4.569 1.00 0.80 C ATOM 838 C VAL A 55 3.457 -3.405 4.235 1.00 0.74 C ATOM 839 O VAL A 55 4.645 -3.248 4.036 1.00 0.76 O ATOM 840 CB VAL A 55 2.472 -5.494 3.277 1.00 0.90 C ATOM 841 CG1 VAL A 55 3.713 -5.755 2.422 1.00 0.88 C ATOM 842 CG2 VAL A 55 1.802 -6.826 3.625 1.00 0.94 C ATOM 0 H VAL A 55 0.809 -4.952 5.043 1.00 0.78 H new ATOM 0 HA VAL A 55 3.622 -5.385 5.089 1.00 0.80 H new ATOM 0 HB VAL A 55 1.776 -4.868 2.719 1.00 0.90 H new ATOM 0 HG11 VAL A 55 3.421 -6.263 1.503 1.00 0.88 H new ATOM 0 HG12 VAL A 55 4.192 -4.807 2.177 1.00 0.88 H new ATOM 0 HG13 VAL A 55 4.412 -6.382 2.976 1.00 0.88 H new ATOM 0 HG21 VAL A 55 1.511 -7.338 2.708 1.00 0.94 H new ATOM 0 HG22 VAL A 55 2.501 -7.450 4.182 1.00 0.94 H new ATOM 0 HG23 VAL A 55 0.917 -6.640 4.233 1.00 0.94 H new ATOM 852 N LEU A 56 2.620 -2.401 4.184 1.00 0.68 N ATOM 853 CA LEU A 56 3.108 -1.030 3.880 1.00 0.63 C ATOM 854 C LEU A 56 3.960 -0.546 5.052 1.00 0.56 C ATOM 855 O LEU A 56 4.981 0.091 4.874 1.00 0.52 O ATOM 856 CB LEU A 56 1.910 -0.096 3.692 1.00 0.54 C ATOM 857 CG LEU A 56 1.454 -0.129 2.233 1.00 0.48 C ATOM 858 CD1 LEU A 56 -0.074 -0.088 2.168 1.00 1.53 C ATOM 859 CD2 LEU A 56 2.017 1.086 1.501 1.00 0.99 C ATOM 0 H LEU A 56 1.615 -2.476 4.341 1.00 0.68 H new ATOM 0 HA LEU A 56 3.703 -1.035 2.967 1.00 0.63 H new ATOM 0 HB2 LEU A 56 1.093 -0.401 4.345 1.00 0.54 H new ATOM 0 HB3 LEU A 56 2.182 0.921 3.975 1.00 0.54 H new ATOM 0 HG LEU A 56 1.814 -1.045 1.764 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -0.395 -0.112 1.126 1.00 1.53 H new ATOM 0 HD12 LEU A 56 -0.484 -0.951 2.694 1.00 1.53 H new ATOM 0 HD13 LEU A 56 -0.434 0.828 2.638 1.00 1.53 H new ATOM 0 HD21 LEU A 56 1.694 1.066 0.460 1.00 0.99 H new ATOM 0 HD22 LEU A 56 1.654 1.997 1.976 1.00 0.99 H new ATOM 0 HD23 LEU A 56 3.106 1.064 1.543 1.00 0.99 H new ATOM 871 N ARG A 57 3.554 -0.856 6.253 1.00 0.57 N ATOM 872 CA ARG A 57 4.342 -0.431 7.440 1.00 0.51 C ATOM 873 C ARG A 57 5.764 -0.968 7.294 1.00 0.59 C ATOM 874 O ARG A 57 6.725 -0.226 7.333 1.00 0.75 O ATOM 875 CB ARG A 57 3.707 -1.003 8.710 1.00 0.48 C ATOM 876 CG ARG A 57 4.499 -0.529 9.930 1.00 0.67 C ATOM 877 CD ARG A 57 3.581 -0.494 11.154 1.00 0.43 C ATOM 878 NE ARG A 57 2.884 0.825 11.212 1.00 1.43 N ATOM 879 CZ ARG A 57 1.846 1.009 11.996 1.00 1.99 C ATOM 880 NH1 ARG A 57 1.384 0.042 12.753 1.00 1.51 N ATOM 881 NH2 ARG A 57 1.261 2.176 12.022 1.00 3.11 N ATOM 0 H ARG A 57 2.708 -1.387 6.462 1.00 0.57 H new ATOM 0 HA ARG A 57 4.357 0.657 7.509 1.00 0.51 H new ATOM 0 HB2 ARG A 57 2.669 -0.680 8.788 1.00 0.48 H new ATOM 0 HB3 ARG A 57 3.700 -2.092 8.668 1.00 0.48 H new ATOM 0 HG2 ARG A 57 5.340 -1.197 10.113 1.00 0.67 H new ATOM 0 HG3 ARG A 57 4.914 0.462 9.745 1.00 0.67 H new ATOM 0 HD2 ARG A 57 2.851 -1.302 11.098 1.00 0.43 H new ATOM 0 HD3 ARG A 57 4.162 -0.651 12.063 1.00 0.43 H new ATOM 0 HE ARG A 57 3.219 1.596 10.634 1.00 1.43 H new ATOM 0 HH11 ARG A 57 1.832 -0.874 12.740 1.00 1.51 H new ATOM 0 HH12 ARG A 57 0.577 0.206 13.354 1.00 1.51 H new ATOM 0 HH21 ARG A 57 1.611 2.935 11.437 1.00 3.11 H new ATOM 0 HH22 ARG A 57 0.454 2.329 12.627 1.00 3.11 H new ATOM 895 N GLN A 58 5.906 -2.252 7.108 1.00 0.49 N ATOM 896 CA GLN A 58 7.268 -2.825 6.942 1.00 0.57 C ATOM 897 C GLN A 58 7.958 -2.134 5.762 1.00 0.60 C ATOM 898 O GLN A 58 9.166 -2.013 5.718 1.00 0.64 O ATOM 899 CB GLN A 58 7.166 -4.328 6.669 1.00 0.67 C ATOM 900 CG GLN A 58 8.329 -5.050 7.354 1.00 1.26 C ATOM 901 CD GLN A 58 8.564 -6.401 6.676 1.00 1.84 C ATOM 902 OE1 GLN A 58 9.029 -6.460 5.555 1.00 2.90 O ATOM 903 NE2 GLN A 58 8.261 -7.497 7.316 1.00 1.49 N ATOM 0 H GLN A 58 5.141 -2.925 7.064 1.00 0.49 H new ATOM 0 HA GLN A 58 7.847 -2.667 7.852 1.00 0.57 H new ATOM 0 HB2 GLN A 58 6.216 -4.712 7.040 1.00 0.67 H new ATOM 0 HB3 GLN A 58 7.189 -4.516 5.596 1.00 0.67 H new ATOM 0 HG2 GLN A 58 9.232 -4.442 7.298 1.00 1.26 H new ATOM 0 HG3 GLN A 58 8.108 -5.196 8.411 1.00 1.26 H new ATOM 0 HE21 GLN A 58 7.871 -7.447 8.257 1.00 1.49 H new ATOM 0 HE22 GLN A 58 8.414 -8.404 6.875 1.00 1.49 H new ATOM 912 N PHE A 59 7.195 -1.677 4.805 1.00 0.62 N ATOM 913 CA PHE A 59 7.796 -0.989 3.628 1.00 0.68 C ATOM 914 C PHE A 59 8.636 0.199 4.103 1.00 0.53 C ATOM 915 O PHE A 59 9.797 0.321 3.774 1.00 0.45 O ATOM 916 CB PHE A 59 6.675 -0.486 2.711 1.00 0.91 C ATOM 917 CG PHE A 59 7.195 -0.336 1.302 1.00 0.68 C ATOM 918 CD1 PHE A 59 8.210 0.587 1.022 1.00 1.03 C ATOM 919 CD2 PHE A 59 6.656 -1.116 0.270 1.00 1.15 C ATOM 920 CE1 PHE A 59 8.688 0.729 -0.286 1.00 1.00 C ATOM 921 CE2 PHE A 59 7.134 -0.974 -1.038 1.00 1.15 C ATOM 922 CZ PHE A 59 8.150 -0.051 -1.316 1.00 0.64 C ATOM 0 H PHE A 59 6.178 -1.751 4.789 1.00 0.62 H new ATOM 0 HA PHE A 59 8.432 -1.687 3.083 1.00 0.68 H new ATOM 0 HB2 PHE A 59 5.839 -1.185 2.727 1.00 0.91 H new ATOM 0 HB3 PHE A 59 6.298 0.471 3.073 1.00 0.91 H new ATOM 0 HD1 PHE A 59 8.625 1.190 1.816 1.00 1.03 H new ATOM 0 HD2 PHE A 59 5.872 -1.827 0.484 1.00 1.15 H new ATOM 0 HE1 PHE A 59 9.472 1.440 -0.500 1.00 1.00 H new ATOM 0 HE2 PHE A 59 6.719 -1.576 -1.833 1.00 1.15 H new ATOM 0 HZ PHE A 59 8.518 0.059 -2.325 1.00 0.64 H new ATOM 932 N TYR A 60 8.056 1.081 4.871 1.00 0.57 N ATOM 933 CA TYR A 60 8.824 2.264 5.357 1.00 0.58 C ATOM 934 C TYR A 60 9.529 1.947 6.688 1.00 0.40 C ATOM 935 O TYR A 60 10.156 2.804 7.278 1.00 0.48 O ATOM 936 CB TYR A 60 7.861 3.442 5.547 1.00 0.79 C ATOM 937 CG TYR A 60 7.579 3.654 7.017 1.00 0.66 C ATOM 938 CD1 TYR A 60 6.724 2.781 7.700 1.00 0.53 C ATOM 939 CD2 TYR A 60 8.172 4.727 7.696 1.00 0.74 C ATOM 940 CE1 TYR A 60 6.462 2.981 9.062 1.00 0.51 C ATOM 941 CE2 TYR A 60 7.909 4.925 9.057 1.00 0.73 C ATOM 942 CZ TYR A 60 7.055 4.052 9.739 1.00 0.63 C ATOM 943 OH TYR A 60 6.797 4.248 11.081 1.00 0.72 O ATOM 0 H TYR A 60 7.086 1.034 5.183 1.00 0.57 H new ATOM 0 HA TYR A 60 9.585 2.520 4.620 1.00 0.58 H new ATOM 0 HB2 TYR A 60 8.292 4.346 5.118 1.00 0.79 H new ATOM 0 HB3 TYR A 60 6.930 3.249 5.015 1.00 0.79 H new ATOM 0 HD1 TYR A 60 6.267 1.954 7.178 1.00 0.53 H new ATOM 0 HD2 TYR A 60 8.832 5.401 7.170 1.00 0.74 H new ATOM 0 HE1 TYR A 60 5.802 2.308 9.589 1.00 0.51 H new ATOM 0 HE2 TYR A 60 8.366 5.752 9.580 1.00 0.73 H new ATOM 0 HH TYR A 60 7.289 5.035 11.397 1.00 0.72 H new ATOM 953 N SER A 61 9.437 0.734 7.174 1.00 0.47 N ATOM 954 CA SER A 61 10.109 0.405 8.465 1.00 0.56 C ATOM 955 C SER A 61 11.532 -0.110 8.213 1.00 0.55 C ATOM 956 O SER A 61 12.495 0.445 8.704 1.00 0.51 O ATOM 957 CB SER A 61 9.302 -0.667 9.199 1.00 0.81 C ATOM 958 OG SER A 61 8.872 -0.153 10.453 1.00 0.32 O ATOM 0 H SER A 61 8.930 -0.035 6.736 1.00 0.47 H new ATOM 0 HA SER A 61 10.165 1.308 9.073 1.00 0.56 H new ATOM 0 HB2 SER A 61 8.441 -0.965 8.600 1.00 0.81 H new ATOM 0 HB3 SER A 61 9.911 -1.559 9.348 1.00 0.81 H new ATOM 0 HG SER A 61 8.353 -0.836 10.926 1.00 0.32 H new ATOM 964 N HIS A 62 11.674 -1.178 7.473 1.00 0.61 N ATOM 965 CA HIS A 62 13.038 -1.733 7.219 1.00 0.63 C ATOM 966 C HIS A 62 13.645 -1.115 5.953 1.00 0.56 C ATOM 967 O HIS A 62 14.836 -0.881 5.883 1.00 0.60 O ATOM 968 CB HIS A 62 12.946 -3.254 7.047 1.00 0.79 C ATOM 969 CG HIS A 62 13.985 -3.924 7.909 1.00 1.49 C ATOM 970 ND1 HIS A 62 13.870 -5.247 8.310 1.00 1.62 N ATOM 971 CD2 HIS A 62 15.160 -3.469 8.454 1.00 2.62 C ATOM 972 CE1 HIS A 62 14.948 -5.537 9.062 1.00 2.16 C ATOM 973 NE2 HIS A 62 15.766 -4.489 9.181 1.00 2.85 N ATOM 0 H HIS A 62 10.908 -1.689 7.034 1.00 0.61 H new ATOM 0 HA HIS A 62 13.677 -1.492 8.069 1.00 0.63 H new ATOM 0 HB2 HIS A 62 11.951 -3.602 7.323 1.00 0.79 H new ATOM 0 HB3 HIS A 62 13.099 -3.522 6.001 1.00 0.79 H new ATOM 0 HD2 HIS A 62 15.554 -2.470 8.336 1.00 2.62 H new ATOM 0 HE1 HIS A 62 15.129 -6.501 9.514 1.00 2.16 H new ATOM 0 HE2 HIS A 62 16.646 -4.445 9.695 1.00 2.85 H new ATOM 981 N HIS A 63 12.850 -0.857 4.950 1.00 0.53 N ATOM 982 CA HIS A 63 13.410 -0.268 3.696 1.00 0.59 C ATOM 983 C HIS A 63 13.498 1.263 3.804 1.00 0.54 C ATOM 984 O HIS A 63 13.808 1.935 2.840 1.00 0.77 O ATOM 985 CB HIS A 63 12.517 -0.640 2.511 1.00 0.69 C ATOM 986 CG HIS A 63 12.156 -2.098 2.593 1.00 0.14 C ATOM 987 ND1 HIS A 63 13.071 -3.065 2.980 1.00 0.74 N ATOM 988 CD2 HIS A 63 10.984 -2.769 2.343 1.00 0.50 C ATOM 989 CE1 HIS A 63 12.441 -4.253 2.952 1.00 0.96 C ATOM 990 NE2 HIS A 63 11.167 -4.129 2.571 1.00 0.58 N ATOM 0 H HIS A 63 11.844 -1.026 4.942 1.00 0.53 H new ATOM 0 HA HIS A 63 14.413 -0.667 3.546 1.00 0.59 H new ATOM 0 HB2 HIS A 63 11.614 -0.030 2.517 1.00 0.69 H new ATOM 0 HB3 HIS A 63 13.034 -0.435 1.574 1.00 0.69 H new ATOM 0 HD2 HIS A 63 10.061 -2.311 2.019 1.00 0.50 H new ATOM 0 HE1 HIS A 63 12.908 -5.193 3.207 1.00 0.96 H new ATOM 0 HE2 HIS A 63 10.476 -4.872 2.469 1.00 0.58 H new ATOM 998 N GLU A 64 13.240 1.825 4.956 1.00 0.39 N ATOM 999 CA GLU A 64 13.327 3.308 5.085 1.00 0.51 C ATOM 1000 C GLU A 64 14.793 3.709 5.246 1.00 0.55 C ATOM 1001 O GLU A 64 15.257 4.664 4.654 1.00 0.54 O ATOM 1002 CB GLU A 64 12.533 3.761 6.310 1.00 0.66 C ATOM 1003 CG GLU A 64 13.249 4.933 6.984 1.00 0.74 C ATOM 1004 CD GLU A 64 12.309 5.591 7.994 1.00 0.86 C ATOM 1005 OE1 GLU A 64 12.211 5.083 9.100 1.00 1.70 O ATOM 1006 OE2 GLU A 64 11.703 6.591 7.646 1.00 1.02 O ATOM 0 H GLU A 64 12.975 1.326 5.805 1.00 0.39 H new ATOM 0 HA GLU A 64 12.913 3.781 4.195 1.00 0.51 H new ATOM 0 HB2 GLU A 64 11.527 4.059 6.014 1.00 0.66 H new ATOM 0 HB3 GLU A 64 12.427 2.934 7.013 1.00 0.66 H new ATOM 0 HG2 GLU A 64 14.151 4.582 7.485 1.00 0.74 H new ATOM 0 HG3 GLU A 64 13.563 5.661 6.235 1.00 0.74 H new ATOM 1013 N LYS A 65 15.529 2.981 6.042 1.00 0.65 N ATOM 1014 CA LYS A 65 16.967 3.311 6.241 1.00 0.69 C ATOM 1015 C LYS A 65 17.814 2.086 5.894 1.00 0.63 C ATOM 1016 O LYS A 65 18.190 1.314 6.754 1.00 0.83 O ATOM 1017 CB LYS A 65 17.206 3.698 7.701 1.00 0.86 C ATOM 1018 CG LYS A 65 18.680 4.057 7.896 1.00 1.43 C ATOM 1019 CD LYS A 65 18.816 5.057 9.045 1.00 1.55 C ATOM 1020 CE LYS A 65 20.236 5.625 9.060 1.00 2.00 C ATOM 1021 NZ LYS A 65 21.041 4.924 10.099 1.00 2.47 N ATOM 0 H LYS A 65 15.194 2.171 6.563 1.00 0.65 H new ATOM 0 HA LYS A 65 17.244 4.145 5.597 1.00 0.69 H new ATOM 0 HB2 LYS A 65 16.575 4.544 7.972 1.00 0.86 H new ATOM 0 HB3 LYS A 65 16.931 2.872 8.357 1.00 0.86 H new ATOM 0 HG2 LYS A 65 19.258 3.159 8.112 1.00 1.43 H new ATOM 0 HG3 LYS A 65 19.085 4.484 6.979 1.00 1.43 H new ATOM 0 HD2 LYS A 65 18.092 5.863 8.928 1.00 1.55 H new ATOM 0 HD3 LYS A 65 18.598 4.568 9.995 1.00 1.55 H new ATOM 0 HE2 LYS A 65 20.699 5.501 8.081 1.00 2.00 H new ATOM 0 HE3 LYS A 65 20.209 6.695 9.266 1.00 2.00 H new ATOM 0 HZ1 LYS A 65 22.007 5.310 10.109 1.00 2.47 H new ATOM 0 HZ2 LYS A 65 20.602 5.064 11.031 1.00 2.47 H new ATOM 0 HZ3 LYS A 65 21.077 3.907 9.883 1.00 2.47 H new ATOM 1035 N ASP A 66 18.115 1.899 4.638 1.00 1.07 N ATOM 1036 CA ASP A 66 18.934 0.721 4.236 1.00 0.99 C ATOM 1037 C ASP A 66 19.461 0.930 2.816 1.00 0.59 C ATOM 1038 O ASP A 66 18.748 1.378 1.940 1.00 0.18 O ATOM 1039 CB ASP A 66 18.067 -0.540 4.283 1.00 1.11 C ATOM 1040 CG ASP A 66 18.928 -1.743 4.669 1.00 1.50 C ATOM 1041 OD1 ASP A 66 19.806 -1.577 5.500 1.00 2.98 O ATOM 1042 OD2 ASP A 66 18.696 -2.812 4.127 1.00 1.45 O ATOM 0 H ASP A 66 17.829 2.511 3.873 1.00 1.07 H new ATOM 0 HA ASP A 66 19.775 0.608 4.921 1.00 0.99 H new ATOM 0 HB2 ASP A 66 17.260 -0.412 5.005 1.00 1.11 H new ATOM 0 HB3 ASP A 66 17.602 -0.710 3.312 1.00 1.11 H new ATOM 1047 N THR A 67 20.704 0.610 2.580 1.00 0.78 N ATOM 1048 CA THR A 67 21.276 0.792 1.215 1.00 0.55 C ATOM 1049 C THR A 67 20.515 -0.073 0.202 1.00 0.19 C ATOM 1050 O THR A 67 20.589 0.150 -0.990 1.00 0.37 O ATOM 1051 CB THR A 67 22.752 0.388 1.220 1.00 0.78 C ATOM 1052 OG1 THR A 67 22.910 -0.815 1.960 1.00 0.67 O ATOM 1053 CG2 THR A 67 23.587 1.497 1.861 1.00 1.39 C ATOM 0 H THR A 67 21.349 0.230 3.273 1.00 0.78 H new ATOM 0 HA THR A 67 21.182 1.840 0.930 1.00 0.55 H new ATOM 0 HB THR A 67 23.088 0.232 0.195 1.00 0.78 H new ATOM 0 HG1 THR A 67 23.855 -1.076 1.963 1.00 0.67 H new ATOM 0 HG21 THR A 67 24.638 1.206 1.863 1.00 1.39 H new ATOM 0 HG22 THR A 67 23.467 2.419 1.291 1.00 1.39 H new ATOM 0 HG23 THR A 67 23.253 1.658 2.886 1.00 1.39 H new ATOM 1061 N ARG A 68 19.788 -1.061 0.659 1.00 0.33 N ATOM 1062 CA ARG A 68 19.033 -1.932 -0.285 1.00 0.58 C ATOM 1063 C ARG A 68 18.151 -1.073 -1.197 1.00 0.59 C ATOM 1064 O ARG A 68 18.090 -1.284 -2.392 1.00 0.83 O ATOM 1065 CB ARG A 68 18.152 -2.894 0.515 1.00 0.98 C ATOM 1066 CG ARG A 68 19.029 -3.952 1.186 1.00 1.33 C ATOM 1067 CD ARG A 68 19.381 -5.041 0.172 1.00 0.39 C ATOM 1068 NE ARG A 68 18.126 -5.623 -0.386 1.00 1.31 N ATOM 1069 CZ ARG A 68 18.146 -6.365 -1.468 1.00 2.24 C ATOM 1070 NH1 ARG A 68 19.269 -6.620 -2.098 1.00 2.43 N ATOM 1071 NH2 ARG A 68 17.027 -6.856 -1.928 1.00 3.58 N ATOM 0 H ARG A 68 19.686 -1.300 1.645 1.00 0.33 H new ATOM 0 HA ARG A 68 19.737 -2.496 -0.897 1.00 0.58 H new ATOM 0 HB2 ARG A 68 17.586 -2.345 1.268 1.00 0.98 H new ATOM 0 HB3 ARG A 68 17.427 -3.372 -0.143 1.00 0.98 H new ATOM 0 HG2 ARG A 68 19.939 -3.493 1.573 1.00 1.33 H new ATOM 0 HG3 ARG A 68 18.505 -4.388 2.037 1.00 1.33 H new ATOM 0 HD2 ARG A 68 19.989 -4.623 -0.630 1.00 0.39 H new ATOM 0 HD3 ARG A 68 19.975 -5.820 0.650 1.00 0.39 H new ATOM 0 HE ARG A 68 17.238 -5.441 0.081 1.00 1.31 H new ATOM 0 HH11 ARG A 68 20.148 -6.239 -1.748 1.00 2.43 H new ATOM 0 HH12 ARG A 68 19.263 -7.199 -2.938 1.00 2.43 H new ATOM 0 HH21 ARG A 68 16.149 -6.661 -1.447 1.00 3.58 H new ATOM 0 HH22 ARG A 68 17.031 -7.434 -2.768 1.00 3.58 H new ATOM 1085 N CYS A 69 17.462 -0.112 -0.644 1.00 0.59 N ATOM 1086 CA CYS A 69 16.583 0.747 -1.486 1.00 0.56 C ATOM 1087 C CYS A 69 17.368 1.959 -1.994 1.00 0.22 C ATOM 1088 O CYS A 69 17.148 2.435 -3.089 1.00 0.14 O ATOM 1089 CB CYS A 69 15.388 1.224 -0.657 1.00 0.80 C ATOM 1090 SG CYS A 69 14.096 1.843 -1.763 1.00 1.10 S ATOM 0 H CYS A 69 17.470 0.114 0.351 1.00 0.59 H new ATOM 0 HA CYS A 69 16.229 0.167 -2.338 1.00 0.56 H new ATOM 0 HB2 CYS A 69 15.001 0.404 -0.051 1.00 0.80 H new ATOM 0 HB3 CYS A 69 15.700 2.010 0.031 1.00 0.80 H new ATOM 1095 N LEU A 70 18.279 2.464 -1.210 1.00 0.35 N ATOM 1096 CA LEU A 70 19.068 3.647 -1.658 1.00 0.23 C ATOM 1097 C LEU A 70 19.802 3.310 -2.961 1.00 0.22 C ATOM 1098 O LEU A 70 19.468 3.808 -4.017 1.00 0.46 O ATOM 1099 CB LEU A 70 20.088 4.031 -0.582 1.00 0.43 C ATOM 1100 CG LEU A 70 19.362 4.324 0.733 1.00 0.23 C ATOM 1101 CD1 LEU A 70 20.379 4.744 1.794 1.00 0.42 C ATOM 1102 CD2 LEU A 70 18.355 5.456 0.520 1.00 0.67 C ATOM 0 H LEU A 70 18.511 2.111 -0.282 1.00 0.35 H new ATOM 0 HA LEU A 70 18.392 4.485 -1.826 1.00 0.23 H new ATOM 0 HB2 LEU A 70 20.805 3.222 -0.441 1.00 0.43 H new ATOM 0 HB3 LEU A 70 20.654 4.907 -0.899 1.00 0.43 H new ATOM 0 HG LEU A 70 18.838 3.428 1.064 1.00 0.23 H new ATOM 0 HD11 LEU A 70 19.862 4.953 2.731 1.00 0.42 H new ATOM 0 HD12 LEU A 70 21.098 3.939 1.948 1.00 0.42 H new ATOM 0 HD13 LEU A 70 20.903 5.640 1.461 1.00 0.42 H new ATOM 0 HD21 LEU A 70 17.838 5.664 1.457 1.00 0.67 H new ATOM 0 HD22 LEU A 70 18.880 6.352 0.188 1.00 0.67 H new ATOM 0 HD23 LEU A 70 17.629 5.159 -0.237 1.00 0.67 H new ATOM 1114 N GLY A 71 20.798 2.468 -2.895 1.00 0.33 N ATOM 1115 CA GLY A 71 21.548 2.104 -4.131 1.00 0.68 C ATOM 1116 C GLY A 71 22.919 2.782 -4.116 1.00 0.56 C ATOM 1117 O GLY A 71 23.713 2.579 -3.219 1.00 0.58 O ATOM 0 H GLY A 71 21.124 2.017 -2.040 1.00 0.33 H new ATOM 0 HA2 GLY A 71 21.666 1.022 -4.192 1.00 0.68 H new ATOM 0 HA3 GLY A 71 20.988 2.413 -5.013 1.00 0.68 H new ATOM 1121 N ALA A 72 23.203 3.587 -5.103 1.00 0.56 N ATOM 1122 CA ALA A 72 24.521 4.279 -5.147 1.00 0.55 C ATOM 1123 C ALA A 72 24.411 5.525 -6.027 1.00 0.95 C ATOM 1124 O ALA A 72 25.116 5.670 -7.006 1.00 1.67 O ATOM 1125 CB ALA A 72 25.575 3.334 -5.727 1.00 0.53 C ATOM 0 H ALA A 72 22.578 3.795 -5.882 1.00 0.56 H new ATOM 0 HA ALA A 72 24.813 4.571 -4.138 1.00 0.55 H new ATOM 0 HB1 ALA A 72 26.540 3.841 -5.759 1.00 0.53 H new ATOM 0 HB2 ALA A 72 25.652 2.446 -5.100 1.00 0.53 H new ATOM 0 HB3 ALA A 72 25.285 3.041 -6.736 1.00 0.53 H new ATOM 1131 N THR A 73 23.529 6.424 -5.687 1.00 0.55 N ATOM 1132 CA THR A 73 23.371 7.661 -6.503 1.00 0.92 C ATOM 1133 C THR A 73 22.832 8.787 -5.618 1.00 0.77 C ATOM 1134 O THR A 73 22.060 8.560 -4.709 1.00 0.67 O ATOM 1135 CB THR A 73 22.388 7.398 -7.646 1.00 1.25 C ATOM 1136 OG1 THR A 73 21.564 6.289 -7.314 1.00 1.77 O ATOM 1137 CG2 THR A 73 23.162 7.096 -8.930 1.00 1.45 C ATOM 0 H THR A 73 22.910 6.356 -4.879 1.00 0.55 H new ATOM 0 HA THR A 73 24.338 7.950 -6.915 1.00 0.92 H new ATOM 0 HB THR A 73 21.766 8.280 -7.800 1.00 1.25 H new ATOM 0 HG1 THR A 73 21.168 5.920 -8.131 1.00 1.77 H new ATOM 0 HG21 THR A 73 22.460 6.909 -9.743 1.00 1.45 H new ATOM 0 HG22 THR A 73 23.792 7.948 -9.184 1.00 1.45 H new ATOM 0 HG23 THR A 73 23.786 6.215 -8.780 1.00 1.45 H new ATOM 1145 N ALA A 74 23.235 10.000 -5.879 1.00 0.80 N ATOM 1146 CA ALA A 74 22.747 11.141 -5.053 1.00 0.72 C ATOM 1147 C ALA A 74 21.257 11.366 -5.318 1.00 0.54 C ATOM 1148 O ALA A 74 20.516 11.769 -4.444 1.00 0.37 O ATOM 1149 CB ALA A 74 23.528 12.405 -5.421 1.00 1.03 C ATOM 0 H ALA A 74 23.881 10.251 -6.628 1.00 0.80 H new ATOM 0 HA ALA A 74 22.896 10.915 -3.997 1.00 0.72 H new ATOM 0 HB1 ALA A 74 23.173 13.241 -4.818 1.00 1.03 H new ATOM 0 HB2 ALA A 74 24.589 12.245 -5.230 1.00 1.03 H new ATOM 0 HB3 ALA A 74 23.379 12.630 -6.477 1.00 1.03 H new ATOM 1155 N GLN A 75 20.812 11.110 -6.517 1.00 0.67 N ATOM 1156 CA GLN A 75 19.370 11.311 -6.837 1.00 0.68 C ATOM 1157 C GLN A 75 18.529 10.275 -6.087 1.00 0.51 C ATOM 1158 O GLN A 75 17.388 10.516 -5.748 1.00 0.58 O ATOM 1159 CB GLN A 75 19.155 11.147 -8.342 1.00 0.96 C ATOM 1160 CG GLN A 75 19.708 12.371 -9.075 1.00 0.69 C ATOM 1161 CD GLN A 75 18.873 13.602 -8.718 1.00 1.92 C ATOM 1162 OE1 GLN A 75 17.659 13.546 -8.717 1.00 2.92 O ATOM 1163 NE2 GLN A 75 19.474 14.718 -8.410 1.00 2.85 N ATOM 0 H GLN A 75 21.385 10.770 -7.290 1.00 0.67 H new ATOM 0 HA GLN A 75 19.068 12.313 -6.532 1.00 0.68 H new ATOM 0 HB2 GLN A 75 19.653 10.244 -8.695 1.00 0.96 H new ATOM 0 HB3 GLN A 75 18.093 11.030 -8.557 1.00 0.96 H new ATOM 0 HG2 GLN A 75 20.750 12.533 -8.799 1.00 0.69 H new ATOM 0 HG3 GLN A 75 19.686 12.204 -10.152 1.00 0.69 H new ATOM 0 HE21 GLN A 75 20.493 14.766 -8.411 1.00 2.85 H new ATOM 0 HE22 GLN A 75 18.925 15.543 -8.168 1.00 2.85 H new ATOM 1172 N GLN A 76 19.083 9.122 -5.828 1.00 0.44 N ATOM 1173 CA GLN A 76 18.314 8.069 -5.102 1.00 0.59 C ATOM 1174 C GLN A 76 18.190 8.436 -3.619 1.00 0.58 C ATOM 1175 O GLN A 76 17.316 7.951 -2.926 1.00 0.86 O ATOM 1176 CB GLN A 76 19.040 6.728 -5.233 1.00 0.61 C ATOM 1177 CG GLN A 76 18.863 6.185 -6.653 1.00 0.28 C ATOM 1178 CD GLN A 76 17.382 5.899 -6.908 1.00 1.23 C ATOM 1179 OE1 GLN A 76 16.743 6.587 -7.678 1.00 2.24 O ATOM 1180 NE2 GLN A 76 16.805 4.904 -6.290 1.00 2.01 N ATOM 0 H GLN A 76 20.035 8.863 -6.087 1.00 0.44 H new ATOM 0 HA GLN A 76 17.317 7.993 -5.536 1.00 0.59 H new ATOM 0 HB2 GLN A 76 20.100 6.853 -5.010 1.00 0.61 H new ATOM 0 HB3 GLN A 76 18.644 6.016 -4.509 1.00 0.61 H new ATOM 0 HG2 GLN A 76 19.235 6.908 -7.379 1.00 0.28 H new ATOM 0 HG3 GLN A 76 19.448 5.274 -6.781 1.00 0.28 H new ATOM 0 HE21 GLN A 76 17.341 4.326 -5.643 1.00 2.01 H new ATOM 0 HE22 GLN A 76 15.818 4.705 -6.454 1.00 2.01 H new ATOM 1189 N PHE A 77 19.054 9.278 -3.118 1.00 0.36 N ATOM 1190 CA PHE A 77 18.973 9.657 -1.679 1.00 0.54 C ATOM 1191 C PHE A 77 17.824 10.647 -1.465 1.00 0.63 C ATOM 1192 O PHE A 77 17.050 10.519 -0.537 1.00 0.86 O ATOM 1193 CB PHE A 77 20.290 10.305 -1.249 1.00 0.56 C ATOM 1194 CG PHE A 77 21.199 9.254 -0.659 1.00 1.33 C ATOM 1195 CD1 PHE A 77 21.048 8.868 0.678 1.00 1.88 C ATOM 1196 CD2 PHE A 77 22.194 8.665 -1.450 1.00 2.14 C ATOM 1197 CE1 PHE A 77 21.891 7.894 1.225 1.00 2.82 C ATOM 1198 CE2 PHE A 77 23.037 7.691 -0.902 1.00 3.08 C ATOM 1199 CZ PHE A 77 22.886 7.305 0.435 1.00 3.34 C ATOM 0 H PHE A 77 19.810 9.718 -3.642 1.00 0.36 H new ATOM 0 HA PHE A 77 18.792 8.763 -1.082 1.00 0.54 H new ATOM 0 HB2 PHE A 77 20.771 10.778 -2.105 1.00 0.56 H new ATOM 0 HB3 PHE A 77 20.100 11.089 -0.516 1.00 0.56 H new ATOM 0 HD1 PHE A 77 20.281 9.322 1.288 1.00 1.88 H new ATOM 0 HD2 PHE A 77 22.311 8.962 -2.482 1.00 2.14 H new ATOM 0 HE1 PHE A 77 21.774 7.597 2.257 1.00 2.82 H new ATOM 0 HE2 PHE A 77 23.805 7.237 -1.511 1.00 3.08 H new ATOM 0 HZ PHE A 77 23.537 6.553 0.857 1.00 3.34 H new ATOM 1209 N HIS A 78 17.711 11.635 -2.308 1.00 0.45 N ATOM 1210 CA HIS A 78 16.617 12.634 -2.141 1.00 0.53 C ATOM 1211 C HIS A 78 15.284 12.026 -2.581 1.00 0.56 C ATOM 1212 O HIS A 78 14.235 12.392 -2.090 1.00 0.65 O ATOM 1213 CB HIS A 78 16.917 13.870 -2.993 1.00 0.54 C ATOM 1214 CG HIS A 78 15.915 14.948 -2.679 1.00 0.68 C ATOM 1215 ND1 HIS A 78 14.609 14.901 -3.141 1.00 0.42 N ATOM 1216 CD2 HIS A 78 16.014 16.106 -1.950 1.00 1.22 C ATOM 1217 CE1 HIS A 78 13.980 16.001 -2.688 1.00 0.62 C ATOM 1218 NE2 HIS A 78 14.791 16.770 -1.956 1.00 1.11 N ATOM 0 H HIS A 78 18.328 11.795 -3.105 1.00 0.45 H new ATOM 0 HA HIS A 78 16.553 12.920 -1.091 1.00 0.53 H new ATOM 0 HB2 HIS A 78 17.927 14.227 -2.792 1.00 0.54 H new ATOM 0 HB3 HIS A 78 16.874 13.615 -4.052 1.00 0.54 H new ATOM 0 HD2 HIS A 78 16.906 16.450 -1.448 1.00 1.22 H new ATOM 0 HE1 HIS A 78 12.945 16.234 -2.891 1.00 0.62 H new ATOM 0 HE2 HIS A 78 14.563 17.653 -1.500 1.00 1.11 H new ATOM 1226 N ARG A 79 15.311 11.105 -3.504 1.00 0.57 N ATOM 1227 CA ARG A 79 14.037 10.484 -3.971 1.00 0.62 C ATOM 1228 C ARG A 79 13.578 9.429 -2.962 1.00 0.65 C ATOM 1229 O ARG A 79 12.401 9.165 -2.820 1.00 0.74 O ATOM 1230 CB ARG A 79 14.258 9.827 -5.335 1.00 0.56 C ATOM 1231 CG ARG A 79 12.923 9.729 -6.075 1.00 1.32 C ATOM 1232 CD ARG A 79 13.081 10.286 -7.491 1.00 0.64 C ATOM 1233 NE ARG A 79 13.976 9.393 -8.280 1.00 1.28 N ATOM 1234 CZ ARG A 79 14.045 9.487 -9.588 1.00 1.65 C ATOM 1235 NH1 ARG A 79 13.331 10.371 -10.245 1.00 1.04 N ATOM 1236 NH2 ARG A 79 14.840 8.690 -10.248 1.00 2.98 N ATOM 0 H ARG A 79 16.157 10.755 -3.955 1.00 0.57 H new ATOM 0 HA ARG A 79 13.271 11.255 -4.060 1.00 0.62 H new ATOM 0 HB2 ARG A 79 14.969 10.410 -5.921 1.00 0.56 H new ATOM 0 HB3 ARG A 79 14.689 8.834 -5.207 1.00 0.56 H new ATOM 0 HG2 ARG A 79 12.593 8.691 -6.116 1.00 1.32 H new ATOM 0 HG3 ARG A 79 12.156 10.286 -5.537 1.00 1.32 H new ATOM 0 HD2 ARG A 79 12.107 10.361 -7.974 1.00 0.64 H new ATOM 0 HD3 ARG A 79 13.496 11.293 -7.453 1.00 0.64 H new ATOM 0 HE ARG A 79 14.544 8.698 -7.796 1.00 1.28 H new ATOM 0 HH11 ARG A 79 12.708 11.001 -9.739 1.00 1.04 H new ATOM 0 HH12 ARG A 79 13.399 10.428 -11.261 1.00 1.04 H new ATOM 0 HH21 ARG A 79 15.402 8.001 -9.748 1.00 2.98 H new ATOM 0 HH22 ARG A 79 14.900 8.756 -11.264 1.00 2.98 H new ATOM 1250 N HIS A 80 14.496 8.821 -2.262 1.00 0.58 N ATOM 1251 CA HIS A 80 14.109 7.783 -1.265 1.00 0.62 C ATOM 1252 C HIS A 80 13.470 8.456 -0.048 1.00 0.69 C ATOM 1253 O HIS A 80 12.436 8.038 0.436 1.00 0.62 O ATOM 1254 CB HIS A 80 15.354 7.013 -0.824 1.00 0.60 C ATOM 1255 CG HIS A 80 14.973 5.992 0.212 1.00 0.83 C ATOM 1256 ND1 HIS A 80 14.096 4.955 -0.062 1.00 0.51 N ATOM 1257 CD2 HIS A 80 15.338 5.839 1.526 1.00 1.52 C ATOM 1258 CE1 HIS A 80 13.963 4.229 1.063 1.00 0.79 C ATOM 1259 NE2 HIS A 80 14.699 4.725 2.062 1.00 1.48 N ATOM 0 H HIS A 80 15.498 8.998 -2.337 1.00 0.58 H new ATOM 0 HA HIS A 80 13.395 7.095 -1.716 1.00 0.62 H new ATOM 0 HB2 HIS A 80 15.813 6.522 -1.682 1.00 0.60 H new ATOM 0 HB3 HIS A 80 16.095 7.701 -0.416 1.00 0.60 H new ATOM 0 HD2 HIS A 80 16.018 6.485 2.062 1.00 1.52 H new ATOM 0 HE1 HIS A 80 13.338 3.352 1.148 1.00 0.79 H new ATOM 0 HE2 HIS A 80 14.776 4.365 3.013 1.00 1.48 H new ATOM 1267 N LYS A 81 14.080 9.495 0.453 1.00 0.84 N ATOM 1268 CA LYS A 81 13.508 10.192 1.640 1.00 0.91 C ATOM 1269 C LYS A 81 12.060 10.598 1.350 1.00 0.94 C ATOM 1270 O LYS A 81 11.246 10.702 2.246 1.00 0.97 O ATOM 1271 CB LYS A 81 14.340 11.441 1.944 1.00 1.01 C ATOM 1272 CG LYS A 81 14.949 11.320 3.343 1.00 1.55 C ATOM 1273 CD LYS A 81 16.381 11.861 3.324 1.00 2.19 C ATOM 1274 CE LYS A 81 17.158 11.291 4.513 1.00 2.88 C ATOM 1275 NZ LYS A 81 18.615 11.292 4.198 1.00 4.02 N ATOM 0 H LYS A 81 14.948 9.891 0.093 1.00 0.84 H new ATOM 0 HA LYS A 81 13.528 9.522 2.500 1.00 0.91 H new ATOM 0 HB2 LYS A 81 15.129 11.555 1.201 1.00 1.01 H new ATOM 0 HB3 LYS A 81 13.714 12.331 1.884 1.00 1.01 H new ATOM 0 HG2 LYS A 81 14.348 11.876 4.062 1.00 1.55 H new ATOM 0 HG3 LYS A 81 14.947 10.278 3.664 1.00 1.55 H new ATOM 0 HD2 LYS A 81 16.872 11.587 2.390 1.00 2.19 H new ATOM 0 HD3 LYS A 81 16.370 12.950 3.371 1.00 2.19 H new ATOM 0 HE2 LYS A 81 16.967 11.887 5.406 1.00 2.88 H new ATOM 0 HE3 LYS A 81 16.822 10.277 4.729 1.00 2.88 H new ATOM 0 HZ1 LYS A 81 19.145 10.905 5.005 1.00 4.02 H new ATOM 0 HZ2 LYS A 81 18.789 10.706 3.357 1.00 4.02 H new ATOM 0 HZ3 LYS A 81 18.929 12.266 4.012 1.00 4.02 H new ATOM 1289 N GLN A 82 11.732 10.826 0.108 1.00 0.92 N ATOM 1290 CA GLN A 82 10.337 11.222 -0.234 1.00 0.95 C ATOM 1291 C GLN A 82 9.441 9.982 -0.227 1.00 0.90 C ATOM 1292 O GLN A 82 8.292 10.035 0.162 1.00 0.96 O ATOM 1293 CB GLN A 82 10.318 11.862 -1.623 1.00 0.98 C ATOM 1294 CG GLN A 82 8.920 12.408 -1.918 1.00 1.04 C ATOM 1295 CD GLN A 82 8.531 12.059 -3.355 1.00 1.48 C ATOM 1296 OE1 GLN A 82 9.011 12.666 -4.291 1.00 1.28 O ATOM 1297 NE2 GLN A 82 7.675 11.098 -3.571 1.00 2.96 N ATOM 0 H GLN A 82 12.370 10.755 -0.685 1.00 0.92 H new ATOM 0 HA GLN A 82 9.969 11.939 0.500 1.00 0.95 H new ATOM 0 HB2 GLN A 82 11.052 12.667 -1.674 1.00 0.98 H new ATOM 0 HB3 GLN A 82 10.599 11.127 -2.377 1.00 0.98 H new ATOM 0 HG2 GLN A 82 8.197 11.984 -1.221 1.00 1.04 H new ATOM 0 HG3 GLN A 82 8.902 13.489 -1.777 1.00 1.04 H new ATOM 0 HE21 GLN A 82 7.272 10.588 -2.785 1.00 2.96 H new ATOM 0 HE22 GLN A 82 7.409 10.857 -4.526 1.00 2.96 H new ATOM 1306 N LEU A 83 9.960 8.863 -0.656 1.00 0.81 N ATOM 1307 CA LEU A 83 9.141 7.619 -0.675 1.00 0.76 C ATOM 1308 C LEU A 83 8.716 7.261 0.752 1.00 0.75 C ATOM 1309 O LEU A 83 7.663 6.696 0.972 1.00 0.72 O ATOM 1310 CB LEU A 83 9.972 6.474 -1.261 1.00 0.73 C ATOM 1311 CG LEU A 83 9.100 5.226 -1.394 1.00 0.54 C ATOM 1312 CD1 LEU A 83 9.406 4.530 -2.721 1.00 0.62 C ATOM 1313 CD2 LEU A 83 9.398 4.269 -0.237 1.00 1.00 C ATOM 0 H LEU A 83 10.917 8.758 -0.994 1.00 0.81 H new ATOM 0 HA LEU A 83 8.253 7.778 -1.287 1.00 0.76 H new ATOM 0 HB2 LEU A 83 10.367 6.760 -2.236 1.00 0.73 H new ATOM 0 HB3 LEU A 83 10.828 6.266 -0.618 1.00 0.73 H new ATOM 0 HG LEU A 83 8.049 5.513 -1.367 1.00 0.54 H new ATOM 0 HD11 LEU A 83 8.784 3.640 -2.817 1.00 0.62 H new ATOM 0 HD12 LEU A 83 9.195 5.210 -3.546 1.00 0.62 H new ATOM 0 HD13 LEU A 83 10.457 4.243 -2.747 1.00 0.62 H new ATOM 0 HD21 LEU A 83 8.776 3.379 -0.332 1.00 1.00 H new ATOM 0 HD22 LEU A 83 10.449 3.982 -0.264 1.00 1.00 H new ATOM 0 HD23 LEU A 83 9.181 4.764 0.710 1.00 1.00 H new ATOM 1325 N ILE A 84 9.527 7.583 1.722 1.00 0.81 N ATOM 1326 CA ILE A 84 9.171 7.257 3.133 1.00 0.80 C ATOM 1327 C ILE A 84 7.995 8.126 3.585 1.00 0.73 C ATOM 1328 O ILE A 84 7.077 7.657 4.228 1.00 0.63 O ATOM 1329 CB ILE A 84 10.377 7.525 4.036 1.00 0.86 C ATOM 1330 CG1 ILE A 84 11.620 6.861 3.436 1.00 0.92 C ATOM 1331 CG2 ILE A 84 10.114 6.950 5.428 1.00 0.80 C ATOM 1332 CD1 ILE A 84 11.255 5.475 2.902 1.00 0.82 C ATOM 0 H ILE A 84 10.421 8.058 1.599 1.00 0.81 H new ATOM 0 HA ILE A 84 8.889 6.206 3.199 1.00 0.80 H new ATOM 0 HB ILE A 84 10.539 8.600 4.114 1.00 0.86 H new ATOM 0 HG12 ILE A 84 12.021 7.477 2.632 1.00 0.92 H new ATOM 0 HG13 ILE A 84 12.400 6.776 4.192 1.00 0.92 H new ATOM 0 HG21 ILE A 84 10.974 7.142 6.069 1.00 0.80 H new ATOM 0 HG22 ILE A 84 9.230 7.422 5.856 1.00 0.80 H new ATOM 0 HG23 ILE A 84 9.950 5.875 5.353 1.00 0.80 H new ATOM 0 HD11 ILE A 84 12.141 5.004 2.476 1.00 0.82 H new ATOM 0 HD12 ILE A 84 10.874 4.860 3.717 1.00 0.82 H new ATOM 0 HD13 ILE A 84 10.489 5.572 2.132 1.00 0.82 H new ATOM 1344 N ARG A 85 8.015 9.389 3.260 1.00 0.78 N ATOM 1345 CA ARG A 85 6.897 10.284 3.679 1.00 0.71 C ATOM 1346 C ARG A 85 5.596 9.834 3.009 1.00 0.63 C ATOM 1347 O ARG A 85 4.529 9.920 3.584 1.00 0.60 O ATOM 1348 CB ARG A 85 7.215 11.722 3.263 1.00 0.78 C ATOM 1349 CG ARG A 85 7.724 12.505 4.476 1.00 1.15 C ATOM 1350 CD ARG A 85 8.546 13.704 4.001 1.00 1.10 C ATOM 1351 NE ARG A 85 9.944 13.579 4.506 1.00 2.33 N ATOM 1352 CZ ARG A 85 10.909 14.323 4.016 1.00 2.76 C ATOM 1353 NH1 ARG A 85 10.678 15.204 3.073 1.00 1.90 N ATOM 1354 NH2 ARG A 85 12.123 14.187 4.478 1.00 4.21 N ATOM 0 H ARG A 85 8.755 9.841 2.723 1.00 0.78 H new ATOM 0 HA ARG A 85 6.780 10.234 4.762 1.00 0.71 H new ATOM 0 HB2 ARG A 85 7.966 11.725 2.473 1.00 0.78 H new ATOM 0 HB3 ARG A 85 6.323 12.200 2.857 1.00 0.78 H new ATOM 0 HG2 ARG A 85 6.884 12.844 5.082 1.00 1.15 H new ATOM 0 HG3 ARG A 85 8.334 11.860 5.109 1.00 1.15 H new ATOM 0 HD2 ARG A 85 8.544 13.751 2.912 1.00 1.10 H new ATOM 0 HD3 ARG A 85 8.099 14.631 4.361 1.00 1.10 H new ATOM 0 HE ARG A 85 10.154 12.906 5.243 1.00 2.33 H new ATOM 0 HH11 ARG A 85 9.734 15.322 2.706 1.00 1.90 H new ATOM 0 HH12 ARG A 85 11.442 15.771 2.707 1.00 1.90 H new ATOM 0 HH21 ARG A 85 12.316 13.507 5.214 1.00 4.21 H new ATOM 0 HH22 ARG A 85 12.879 14.761 4.103 1.00 4.21 H new ATOM 1368 N PHE A 86 5.673 9.362 1.797 1.00 0.67 N ATOM 1369 CA PHE A 86 4.442 8.913 1.087 1.00 0.61 C ATOM 1370 C PHE A 86 3.925 7.612 1.710 1.00 0.54 C ATOM 1371 O PHE A 86 2.740 7.337 1.702 1.00 0.40 O ATOM 1372 CB PHE A 86 4.770 8.669 -0.387 1.00 0.70 C ATOM 1373 CG PHE A 86 3.938 9.584 -1.252 1.00 0.62 C ATOM 1374 CD1 PHE A 86 3.999 10.970 -1.068 1.00 1.23 C ATOM 1375 CD2 PHE A 86 3.106 9.046 -2.242 1.00 0.74 C ATOM 1376 CE1 PHE A 86 3.231 11.818 -1.874 1.00 1.21 C ATOM 1377 CE2 PHE A 86 2.337 9.894 -3.046 1.00 0.68 C ATOM 1378 CZ PHE A 86 2.399 11.280 -2.863 1.00 0.49 C ATOM 0 H PHE A 86 6.538 9.267 1.265 1.00 0.67 H new ATOM 0 HA PHE A 86 3.676 9.684 1.175 1.00 0.61 H new ATOM 0 HB2 PHE A 86 5.830 8.847 -0.568 1.00 0.70 H new ATOM 0 HB3 PHE A 86 4.572 7.629 -0.646 1.00 0.70 H new ATOM 0 HD1 PHE A 86 4.639 11.385 -0.304 1.00 1.23 H new ATOM 0 HD2 PHE A 86 3.058 7.977 -2.385 1.00 0.74 H new ATOM 0 HE1 PHE A 86 3.280 12.888 -1.733 1.00 1.21 H new ATOM 0 HE2 PHE A 86 1.695 9.479 -3.809 1.00 0.68 H new ATOM 0 HZ PHE A 86 1.805 11.934 -3.484 1.00 0.49 H new ATOM 1388 N LEU A 87 4.804 6.806 2.242 1.00 0.70 N ATOM 1389 CA LEU A 87 4.364 5.519 2.856 1.00 0.64 C ATOM 1390 C LEU A 87 3.637 5.787 4.176 1.00 0.49 C ATOM 1391 O LEU A 87 2.653 5.148 4.489 1.00 0.37 O ATOM 1392 CB LEU A 87 5.590 4.644 3.127 1.00 0.77 C ATOM 1393 CG LEU A 87 5.331 3.225 2.619 1.00 0.39 C ATOM 1394 CD1 LEU A 87 4.075 2.661 3.286 1.00 1.39 C ATOM 1395 CD2 LEU A 87 5.134 3.256 1.101 1.00 1.40 C ATOM 0 H LEU A 87 5.808 6.983 2.278 1.00 0.70 H new ATOM 0 HA LEU A 87 3.686 5.011 2.170 1.00 0.64 H new ATOM 0 HB2 LEU A 87 6.466 5.064 2.632 1.00 0.77 H new ATOM 0 HB3 LEU A 87 5.806 4.625 4.195 1.00 0.77 H new ATOM 0 HG LEU A 87 6.184 2.592 2.863 1.00 0.39 H new ATOM 0 HD11 LEU A 87 3.893 1.650 2.922 1.00 1.39 H new ATOM 0 HD12 LEU A 87 4.216 2.638 4.367 1.00 1.39 H new ATOM 0 HD13 LEU A 87 3.220 3.293 3.045 1.00 1.39 H new ATOM 0 HD21 LEU A 87 4.949 2.245 0.737 1.00 1.40 H new ATOM 0 HD22 LEU A 87 4.282 3.891 0.858 1.00 1.40 H new ATOM 0 HD23 LEU A 87 6.030 3.654 0.626 1.00 1.40 H new ATOM 1407 N LYS A 88 4.116 6.716 4.956 1.00 0.53 N ATOM 1408 CA LYS A 88 3.454 7.016 6.258 1.00 0.47 C ATOM 1409 C LYS A 88 2.070 7.621 6.005 1.00 0.32 C ATOM 1410 O LYS A 88 1.096 7.253 6.632 1.00 0.18 O ATOM 1411 CB LYS A 88 4.312 8.007 7.045 1.00 0.65 C ATOM 1412 CG LYS A 88 5.712 7.419 7.247 1.00 0.43 C ATOM 1413 CD LYS A 88 6.425 8.164 8.378 1.00 0.77 C ATOM 1414 CE LYS A 88 6.752 9.590 7.928 1.00 0.91 C ATOM 1415 NZ LYS A 88 6.284 10.556 8.961 1.00 1.16 N ATOM 0 H LYS A 88 4.939 7.282 4.748 1.00 0.53 H new ATOM 0 HA LYS A 88 3.343 6.095 6.831 1.00 0.47 H new ATOM 0 HB2 LYS A 88 4.377 8.954 6.509 1.00 0.65 H new ATOM 0 HB3 LYS A 88 3.851 8.218 8.010 1.00 0.65 H new ATOM 0 HG2 LYS A 88 5.640 6.358 7.486 1.00 0.43 H new ATOM 0 HG3 LYS A 88 6.288 7.500 6.325 1.00 0.43 H new ATOM 0 HD2 LYS A 88 5.793 8.188 9.266 1.00 0.77 H new ATOM 0 HD3 LYS A 88 7.340 7.640 8.652 1.00 0.77 H new ATOM 0 HE2 LYS A 88 7.826 9.697 7.774 1.00 0.91 H new ATOM 0 HE3 LYS A 88 6.271 9.801 6.973 1.00 0.91 H new ATOM 0 HZ1 LYS A 88 6.506 11.525 8.656 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 5.256 10.459 9.086 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 6.763 10.359 9.863 1.00 1.16 H new ATOM 1429 N ARG A 89 1.979 8.546 5.093 1.00 0.51 N ATOM 1430 CA ARG A 89 0.664 9.179 4.792 1.00 0.49 C ATOM 1431 C ARG A 89 -0.357 8.097 4.426 1.00 0.47 C ATOM 1432 O ARG A 89 -1.413 7.988 5.025 1.00 0.46 O ATOM 1433 CB ARG A 89 0.841 10.149 3.619 1.00 0.60 C ATOM 1434 CG ARG A 89 -0.419 10.170 2.753 1.00 0.66 C ATOM 1435 CD ARG A 89 -0.322 11.332 1.762 1.00 1.07 C ATOM 1436 NE ARG A 89 -1.686 11.860 1.470 1.00 0.97 N ATOM 1437 CZ ARG A 89 -1.847 13.027 0.891 1.00 0.93 C ATOM 1438 NH1 ARG A 89 -0.819 13.768 0.551 1.00 1.00 N ATOM 1439 NH2 ARG A 89 -3.055 13.458 0.645 1.00 1.78 N ATOM 0 H ARG A 89 2.762 8.893 4.540 1.00 0.51 H new ATOM 0 HA ARG A 89 0.303 9.721 5.666 1.00 0.49 H new ATOM 0 HB2 ARG A 89 1.049 11.151 3.995 1.00 0.60 H new ATOM 0 HB3 ARG A 89 1.699 9.850 3.017 1.00 0.60 H new ATOM 0 HG2 ARG A 89 -0.524 9.226 2.218 1.00 0.66 H new ATOM 0 HG3 ARG A 89 -1.304 10.282 3.379 1.00 0.66 H new ATOM 0 HD2 ARG A 89 0.304 12.123 2.175 1.00 1.07 H new ATOM 0 HD3 ARG A 89 0.154 10.997 0.840 1.00 1.07 H new ATOM 0 HE ARG A 89 -2.505 11.307 1.724 1.00 0.97 H new ATOM 0 HH11 ARG A 89 0.129 13.440 0.736 1.00 1.00 H new ATOM 0 HH12 ARG A 89 -0.968 14.672 0.102 1.00 1.00 H new ATOM 0 HH21 ARG A 89 -3.862 12.889 0.902 1.00 1.78 H new ATOM 0 HH22 ARG A 89 -3.192 14.363 0.196 1.00 1.78 H new ATOM 1453 N LEU A 90 -0.046 7.298 3.447 1.00 0.49 N ATOM 1454 CA LEU A 90 -0.986 6.219 3.026 1.00 0.52 C ATOM 1455 C LEU A 90 -1.065 5.125 4.100 1.00 0.44 C ATOM 1456 O LEU A 90 -1.954 4.302 4.085 1.00 0.47 O ATOM 1457 CB LEU A 90 -0.480 5.603 1.720 1.00 0.59 C ATOM 1458 CG LEU A 90 -1.571 4.723 1.107 1.00 0.29 C ATOM 1459 CD1 LEU A 90 -2.265 5.484 -0.022 1.00 0.58 C ATOM 1460 CD2 LEU A 90 -0.939 3.447 0.545 1.00 0.42 C ATOM 0 H LEU A 90 0.823 7.344 2.916 1.00 0.49 H new ATOM 0 HA LEU A 90 -1.979 6.647 2.886 1.00 0.52 H new ATOM 0 HB2 LEU A 90 -0.199 6.390 1.021 1.00 0.59 H new ATOM 0 HB3 LEU A 90 0.415 5.010 1.909 1.00 0.59 H new ATOM 0 HG LEU A 90 -2.301 4.463 1.873 1.00 0.29 H new ATOM 0 HD11 LEU A 90 -3.042 4.857 -0.459 1.00 0.58 H new ATOM 0 HD12 LEU A 90 -2.714 6.395 0.375 1.00 0.58 H new ATOM 0 HD13 LEU A 90 -1.535 5.744 -0.788 1.00 0.58 H new ATOM 0 HD21 LEU A 90 -1.715 2.819 0.108 1.00 0.42 H new ATOM 0 HD22 LEU A 90 -0.210 3.709 -0.222 1.00 0.42 H new ATOM 0 HD23 LEU A 90 -0.442 2.903 1.348 1.00 0.42 H new ATOM 1472 N ASP A 91 -0.142 5.092 5.023 1.00 0.36 N ATOM 1473 CA ASP A 91 -0.178 4.031 6.070 1.00 0.30 C ATOM 1474 C ASP A 91 -1.399 4.211 6.976 1.00 0.26 C ATOM 1475 O ASP A 91 -2.044 3.253 7.355 1.00 0.26 O ATOM 1476 CB ASP A 91 1.096 4.111 6.916 1.00 0.25 C ATOM 1477 CG ASP A 91 1.857 2.788 6.821 1.00 1.23 C ATOM 1478 OD1 ASP A 91 1.942 2.253 5.730 1.00 2.71 O ATOM 1479 OD2 ASP A 91 2.343 2.333 7.844 1.00 0.88 O ATOM 0 H ASP A 91 0.633 5.751 5.097 1.00 0.36 H new ATOM 0 HA ASP A 91 -0.243 3.058 5.582 1.00 0.30 H new ATOM 0 HB2 ASP A 91 1.725 4.930 6.568 1.00 0.25 H new ATOM 0 HB3 ASP A 91 0.842 4.323 7.955 1.00 0.25 H new ATOM 1484 N ARG A 92 -1.714 5.422 7.346 1.00 0.26 N ATOM 1485 CA ARG A 92 -2.882 5.643 8.248 1.00 0.21 C ATOM 1486 C ARG A 92 -4.162 5.862 7.436 1.00 0.14 C ATOM 1487 O ARG A 92 -5.250 5.594 7.902 1.00 0.14 O ATOM 1488 CB ARG A 92 -2.625 6.876 9.118 1.00 0.22 C ATOM 1489 CG ARG A 92 -2.587 6.466 10.592 1.00 0.20 C ATOM 1490 CD ARG A 92 -4.002 6.515 11.176 1.00 1.24 C ATOM 1491 NE ARG A 92 -4.163 7.762 11.981 1.00 1.88 N ATOM 1492 CZ ARG A 92 -5.349 8.165 12.379 1.00 2.91 C ATOM 1493 NH1 ARG A 92 -6.431 7.479 12.096 1.00 3.56 N ATOM 1494 NH2 ARG A 92 -5.452 9.266 13.072 1.00 3.47 N ATOM 0 H ARG A 92 -1.216 6.266 7.064 1.00 0.26 H new ATOM 0 HA ARG A 92 -3.009 4.759 8.873 1.00 0.21 H new ATOM 0 HB2 ARG A 92 -1.681 7.342 8.835 1.00 0.22 H new ATOM 0 HB3 ARG A 92 -3.408 7.617 8.956 1.00 0.22 H new ATOM 0 HG2 ARG A 92 -2.177 5.461 10.690 1.00 0.20 H new ATOM 0 HG3 ARG A 92 -1.930 7.134 11.149 1.00 0.20 H new ATOM 0 HD2 ARG A 92 -4.740 6.489 10.374 1.00 1.24 H new ATOM 0 HD3 ARG A 92 -4.180 5.640 11.801 1.00 1.24 H new ATOM 0 HE ARG A 92 -3.339 8.310 12.226 1.00 1.88 H new ATOM 0 HH11 ARG A 92 -6.361 6.615 11.558 1.00 3.56 H new ATOM 0 HH12 ARG A 92 -7.342 7.809 12.414 1.00 3.56 H new ATOM 0 HH21 ARG A 92 -4.617 9.805 13.300 1.00 3.47 H new ATOM 0 HH22 ARG A 92 -6.368 9.587 13.386 1.00 3.47 H new ATOM 1508 N ASN A 93 -4.055 6.365 6.239 1.00 0.19 N ATOM 1509 CA ASN A 93 -5.289 6.617 5.433 1.00 0.15 C ATOM 1510 C ASN A 93 -5.815 5.324 4.805 1.00 0.18 C ATOM 1511 O ASN A 93 -6.978 5.225 4.471 1.00 0.37 O ATOM 1512 CB ASN A 93 -4.971 7.626 4.328 1.00 0.26 C ATOM 1513 CG ASN A 93 -4.979 9.039 4.914 1.00 0.36 C ATOM 1514 OD1 ASN A 93 -4.030 9.781 4.754 1.00 1.09 O ATOM 1515 ND2 ASN A 93 -6.017 9.445 5.592 1.00 1.20 N ATOM 0 H ASN A 93 -3.176 6.612 5.784 1.00 0.19 H new ATOM 0 HA ASN A 93 -6.059 7.012 6.096 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -3.997 7.407 3.890 1.00 0.26 H new ATOM 0 HB3 ASN A 93 -5.706 7.548 3.527 1.00 0.26 H new ATOM 0 HD21 ASN A 93 -6.032 10.385 5.988 1.00 1.20 H new ATOM 0 HD22 ASN A 93 -6.814 8.822 5.726 1.00 1.20 H new ATOM 1522 N LEU A 94 -4.986 4.338 4.626 1.00 0.11 N ATOM 1523 CA LEU A 94 -5.473 3.076 3.996 1.00 0.15 C ATOM 1524 C LEU A 94 -6.326 2.267 4.982 1.00 0.11 C ATOM 1525 O LEU A 94 -7.488 2.010 4.741 1.00 0.18 O ATOM 1526 CB LEU A 94 -4.277 2.232 3.551 1.00 0.21 C ATOM 1527 CG LEU A 94 -4.655 1.412 2.318 1.00 0.24 C ATOM 1528 CD1 LEU A 94 -4.748 2.333 1.100 1.00 0.78 C ATOM 1529 CD2 LEU A 94 -3.582 0.350 2.070 1.00 0.68 C ATOM 0 H LEU A 94 -3.999 4.347 4.885 1.00 0.11 H new ATOM 0 HA LEU A 94 -6.088 3.336 3.134 1.00 0.15 H new ATOM 0 HB2 LEU A 94 -3.429 2.878 3.324 1.00 0.21 H new ATOM 0 HB3 LEU A 94 -3.966 1.570 4.359 1.00 0.21 H new ATOM 0 HG LEU A 94 -5.619 0.930 2.482 1.00 0.24 H new ATOM 0 HD11 LEU A 94 -5.018 1.748 0.221 1.00 0.78 H new ATOM 0 HD12 LEU A 94 -5.508 3.094 1.276 1.00 0.78 H new ATOM 0 HD13 LEU A 94 -3.784 2.815 0.934 1.00 0.78 H new ATOM 0 HD21 LEU A 94 -3.848 -0.237 1.191 1.00 0.68 H new ATOM 0 HD22 LEU A 94 -2.620 0.836 1.905 1.00 0.68 H new ATOM 0 HD23 LEU A 94 -3.512 -0.306 2.937 1.00 0.68 H new ATOM 1541 N TRP A 95 -5.754 1.839 6.074 1.00 0.12 N ATOM 1542 CA TRP A 95 -6.531 1.019 7.056 1.00 0.23 C ATOM 1543 C TRP A 95 -7.190 1.903 8.117 1.00 0.20 C ATOM 1544 O TRP A 95 -8.146 1.508 8.754 1.00 0.14 O ATOM 1545 CB TRP A 95 -5.592 0.023 7.734 1.00 0.54 C ATOM 1546 CG TRP A 95 -5.238 0.501 9.104 1.00 0.36 C ATOM 1547 CD1 TRP A 95 -4.501 1.596 9.371 1.00 0.72 C ATOM 1548 CD2 TRP A 95 -5.581 -0.089 10.389 1.00 0.68 C ATOM 1549 NE1 TRP A 95 -4.376 1.730 10.744 1.00 0.74 N ATOM 1550 CE2 TRP A 95 -5.025 0.712 11.414 1.00 0.34 C ATOM 1551 CE3 TRP A 95 -6.317 -1.227 10.761 1.00 1.44 C ATOM 1552 CZ2 TRP A 95 -5.192 0.390 12.763 1.00 0.50 C ATOM 1553 CZ3 TRP A 95 -6.486 -1.553 12.115 1.00 1.73 C ATOM 1554 CH2 TRP A 95 -5.926 -0.746 13.114 1.00 1.23 C ATOM 0 H TRP A 95 -4.784 2.020 6.331 1.00 0.12 H new ATOM 0 HA TRP A 95 -7.317 0.490 6.518 1.00 0.23 H new ATOM 0 HB2 TRP A 95 -6.069 -0.955 7.794 1.00 0.54 H new ATOM 0 HB3 TRP A 95 -4.687 -0.099 7.138 1.00 0.54 H new ATOM 0 HD1 TRP A 95 -4.076 2.262 8.634 1.00 0.72 H new ATOM 0 HE1 TRP A 95 -3.868 2.486 11.203 1.00 0.74 H new ATOM 0 HE3 TRP A 95 -6.755 -1.855 9.999 1.00 1.44 H new ATOM 0 HZ2 TRP A 95 -4.757 1.015 13.529 1.00 0.50 H new ATOM 0 HZ3 TRP A 95 -7.051 -2.432 12.389 1.00 1.73 H new ATOM 0 HH2 TRP A 95 -6.062 -1.002 14.154 1.00 1.23 H new ATOM 1565 N GLY A 96 -6.681 3.082 8.328 1.00 0.42 N ATOM 1566 CA GLY A 96 -7.282 3.976 9.361 1.00 0.65 C ATOM 1567 C GLY A 96 -8.780 4.139 9.087 1.00 0.58 C ATOM 1568 O GLY A 96 -9.569 4.330 9.991 1.00 0.63 O ATOM 0 H GLY A 96 -5.877 3.467 7.833 1.00 0.42 H new ATOM 0 HA2 GLY A 96 -7.127 3.556 10.355 1.00 0.65 H new ATOM 0 HA3 GLY A 96 -6.791 4.949 9.345 1.00 0.65 H new ATOM 1572 N LEU A 97 -9.178 4.058 7.845 1.00 0.55 N ATOM 1573 CA LEU A 97 -10.625 4.200 7.515 1.00 0.71 C ATOM 1574 C LEU A 97 -11.298 2.823 7.562 1.00 0.51 C ATOM 1575 O LEU A 97 -12.484 2.712 7.801 1.00 0.59 O ATOM 1576 CB LEU A 97 -10.772 4.800 6.113 1.00 1.09 C ATOM 1577 CG LEU A 97 -10.411 3.753 5.057 1.00 1.67 C ATOM 1578 CD1 LEU A 97 -11.687 3.110 4.513 1.00 2.16 C ATOM 1579 CD2 LEU A 97 -9.657 4.427 3.908 1.00 2.69 C ATOM 0 H LEU A 97 -8.564 3.900 7.046 1.00 0.55 H new ATOM 0 HA LEU A 97 -11.102 4.859 8.241 1.00 0.71 H new ATOM 0 HB2 LEU A 97 -11.795 5.145 5.961 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -10.124 5.670 6.011 1.00 1.09 H new ATOM 0 HG LEU A 97 -9.782 2.987 5.510 1.00 1.67 H new ATOM 0 HD11 LEU A 97 -11.427 2.365 3.761 1.00 2.16 H new ATOM 0 HD12 LEU A 97 -12.228 2.630 5.328 1.00 2.16 H new ATOM 0 HD13 LEU A 97 -12.317 3.877 4.061 1.00 2.16 H new ATOM 0 HD21 LEU A 97 -9.399 3.682 3.155 1.00 2.69 H new ATOM 0 HD22 LEU A 97 -10.288 5.194 3.459 1.00 2.69 H new ATOM 0 HD23 LEU A 97 -8.746 4.886 4.291 1.00 2.69 H new ATOM 1591 N ALA A 98 -10.547 1.776 7.339 1.00 0.40 N ATOM 1592 CA ALA A 98 -11.128 0.404 7.373 1.00 0.61 C ATOM 1593 C ALA A 98 -11.878 0.198 8.690 1.00 0.72 C ATOM 1594 O ALA A 98 -13.054 -0.108 8.706 1.00 0.98 O ATOM 1595 CB ALA A 98 -9.996 -0.619 7.267 1.00 0.57 C ATOM 0 H ALA A 98 -9.549 1.815 7.133 1.00 0.40 H new ATOM 0 HA ALA A 98 -11.820 0.277 6.541 1.00 0.61 H new ATOM 0 HB1 ALA A 98 -10.412 -1.626 7.291 1.00 0.57 H new ATOM 0 HB2 ALA A 98 -9.458 -0.471 6.330 1.00 0.57 H new ATOM 0 HB3 ALA A 98 -9.310 -0.490 8.104 1.00 0.57 H new ATOM 1601 N GLY A 99 -11.205 0.368 9.793 1.00 0.66 N ATOM 1602 CA GLY A 99 -11.876 0.186 11.112 1.00 0.93 C ATOM 1603 C GLY A 99 -11.624 -1.232 11.629 1.00 1.11 C ATOM 1604 O GLY A 99 -12.461 -2.104 11.510 1.00 1.70 O ATOM 0 H GLY A 99 -10.219 0.625 9.839 1.00 0.66 H new ATOM 0 HA2 GLY A 99 -11.498 0.916 11.827 1.00 0.93 H new ATOM 0 HA3 GLY A 99 -12.947 0.362 11.013 1.00 0.93 H new ATOM 1608 N LEU A 100 -10.477 -1.471 12.207 1.00 0.81 N ATOM 1609 CA LEU A 100 -10.178 -2.833 12.734 1.00 0.94 C ATOM 1610 C LEU A 100 -9.080 -2.744 13.795 1.00 0.87 C ATOM 1611 O LEU A 100 -8.625 -1.672 14.143 1.00 1.31 O ATOM 1612 CB LEU A 100 -9.710 -3.732 11.590 1.00 0.87 C ATOM 1613 CG LEU A 100 -10.569 -4.995 11.555 1.00 1.25 C ATOM 1614 CD1 LEU A 100 -11.659 -4.843 10.493 1.00 1.72 C ATOM 1615 CD2 LEU A 100 -9.687 -6.199 11.216 1.00 1.82 C ATOM 0 H LEU A 100 -9.736 -0.783 12.337 1.00 0.81 H new ATOM 0 HA LEU A 100 -11.079 -3.253 13.181 1.00 0.94 H new ATOM 0 HB2 LEU A 100 -9.785 -3.201 10.641 1.00 0.87 H new ATOM 0 HB3 LEU A 100 -8.661 -3.996 11.725 1.00 0.87 H new ATOM 0 HG LEU A 100 -11.034 -5.147 12.529 1.00 1.25 H new ATOM 0 HD11 LEU A 100 -12.271 -5.744 10.469 1.00 1.72 H new ATOM 0 HD12 LEU A 100 -12.286 -3.985 10.735 1.00 1.72 H new ATOM 0 HD13 LEU A 100 -11.198 -4.691 9.517 1.00 1.72 H new ATOM 0 HD21 LEU A 100 -10.298 -7.102 11.190 1.00 1.82 H new ATOM 0 HD22 LEU A 100 -9.223 -6.047 10.242 1.00 1.82 H new ATOM 0 HD23 LEU A 100 -8.912 -6.307 11.974 1.00 1.82 H new ATOM 1627 N ASN A 101 -8.650 -3.863 14.314 1.00 0.91 N ATOM 1628 CA ASN A 101 -7.583 -3.840 15.353 1.00 0.77 C ATOM 1629 C ASN A 101 -6.370 -4.640 14.870 1.00 0.44 C ATOM 1630 O ASN A 101 -5.361 -4.084 14.484 1.00 0.58 O ATOM 1631 CB ASN A 101 -8.119 -4.460 16.647 1.00 1.17 C ATOM 1632 CG ASN A 101 -9.063 -3.474 17.336 1.00 1.58 C ATOM 1633 OD1 ASN A 101 -8.727 -2.322 17.525 1.00 1.53 O ATOM 1634 ND2 ASN A 101 -10.242 -3.881 17.725 1.00 3.04 N ATOM 0 H ASN A 101 -8.992 -4.791 14.063 1.00 0.91 H new ATOM 0 HA ASN A 101 -7.283 -2.808 15.537 1.00 0.77 H new ATOM 0 HB2 ASN A 101 -8.645 -5.389 16.426 1.00 1.17 H new ATOM 0 HB3 ASN A 101 -7.292 -4.712 17.311 1.00 1.17 H new ATOM 0 HD21 ASN A 101 -10.879 -3.232 18.187 1.00 3.04 H new ATOM 0 HD22 ASN A 101 -10.525 -4.848 17.567 1.00 3.04 H new ATOM 1641 N SER A 102 -6.457 -5.944 14.898 1.00 1.03 N ATOM 1642 CA SER A 102 -5.306 -6.783 14.453 1.00 0.92 C ATOM 1643 C SER A 102 -5.375 -7.010 12.940 1.00 0.78 C ATOM 1644 O SER A 102 -6.351 -6.688 12.294 1.00 0.98 O ATOM 1645 CB SER A 102 -5.360 -8.133 15.167 1.00 1.51 C ATOM 1646 OG SER A 102 -4.430 -8.133 16.243 1.00 1.45 O ATOM 0 H SER A 102 -7.277 -6.465 15.210 1.00 1.03 H new ATOM 0 HA SER A 102 -4.375 -6.270 14.696 1.00 0.92 H new ATOM 0 HB2 SER A 102 -6.367 -8.319 15.541 1.00 1.51 H new ATOM 0 HB3 SER A 102 -5.126 -8.936 14.469 1.00 1.51 H new ATOM 0 HG SER A 102 -4.463 -8.997 16.704 1.00 1.45 H new ATOM 1652 N CYS A 103 -4.339 -7.571 12.375 1.00 0.83 N ATOM 1653 CA CYS A 103 -4.327 -7.832 10.909 1.00 0.94 C ATOM 1654 C CYS A 103 -3.185 -8.807 10.592 1.00 1.01 C ATOM 1655 O CYS A 103 -2.123 -8.402 10.164 1.00 0.98 O ATOM 1656 CB CYS A 103 -4.117 -6.516 10.155 1.00 1.00 C ATOM 1657 SG CYS A 103 -5.537 -6.214 9.073 1.00 1.01 S ATOM 0 H CYS A 103 -3.496 -7.861 12.871 1.00 0.83 H new ATOM 0 HA CYS A 103 -5.277 -8.267 10.598 1.00 0.94 H new ATOM 0 HB2 CYS A 103 -4.001 -5.693 10.861 1.00 1.00 H new ATOM 0 HB3 CYS A 103 -3.200 -6.563 9.567 1.00 1.00 H new ATOM 1662 N PRO A 104 -3.436 -10.070 10.828 1.00 1.20 N ATOM 1663 CA PRO A 104 -2.439 -11.127 10.589 1.00 1.29 C ATOM 1664 C PRO A 104 -1.933 -11.073 9.146 1.00 1.44 C ATOM 1665 O PRO A 104 -2.548 -11.599 8.240 1.00 1.83 O ATOM 1666 CB PRO A 104 -3.186 -12.440 10.859 1.00 1.71 C ATOM 1667 CG PRO A 104 -4.607 -12.077 11.364 1.00 1.79 C ATOM 1668 CD PRO A 104 -4.731 -10.545 11.345 1.00 1.42 C ATOM 0 HA PRO A 104 -1.561 -11.019 11.226 1.00 1.29 H new ATOM 0 HB2 PRO A 104 -3.244 -13.041 9.951 1.00 1.71 H new ATOM 0 HB3 PRO A 104 -2.656 -13.036 11.602 1.00 1.71 H new ATOM 0 HG2 PRO A 104 -5.367 -12.530 10.727 1.00 1.79 H new ATOM 0 HG3 PRO A 104 -4.765 -12.461 12.372 1.00 1.79 H new ATOM 0 HD2 PRO A 104 -5.554 -10.222 10.707 1.00 1.42 H new ATOM 0 HD3 PRO A 104 -4.927 -10.151 12.342 1.00 1.42 H new ATOM 1676 N VAL A 105 -0.812 -10.442 8.930 1.00 1.30 N ATOM 1677 CA VAL A 105 -0.256 -10.353 7.549 1.00 1.65 C ATOM 1678 C VAL A 105 0.650 -11.561 7.287 1.00 1.92 C ATOM 1679 O VAL A 105 1.837 -11.421 7.069 1.00 2.37 O ATOM 1680 CB VAL A 105 0.557 -9.063 7.406 1.00 1.63 C ATOM 1681 CG1 VAL A 105 1.683 -9.052 8.442 1.00 2.18 C ATOM 1682 CG2 VAL A 105 1.160 -8.987 6.000 1.00 2.49 C ATOM 0 H VAL A 105 -0.255 -9.983 9.651 1.00 1.30 H new ATOM 0 HA VAL A 105 -1.073 -10.347 6.827 1.00 1.65 H new ATOM 0 HB VAL A 105 -0.097 -8.206 7.567 1.00 1.63 H new ATOM 0 HG11 VAL A 105 2.262 -8.134 8.340 1.00 2.18 H new ATOM 0 HG12 VAL A 105 1.256 -9.103 9.444 1.00 2.18 H new ATOM 0 HG13 VAL A 105 2.334 -9.911 8.281 1.00 2.18 H new ATOM 0 HG21 VAL A 105 1.738 -8.068 5.901 1.00 2.49 H new ATOM 0 HG22 VAL A 105 1.812 -9.845 5.837 1.00 2.49 H new ATOM 0 HG23 VAL A 105 0.360 -8.994 5.260 1.00 2.49 H new ATOM 1692 N LYS A 106 0.103 -12.746 7.303 1.00 1.71 N ATOM 1693 CA LYS A 106 0.940 -13.953 7.053 1.00 1.96 C ATOM 1694 C LYS A 106 0.072 -15.074 6.475 1.00 1.11 C ATOM 1695 O LYS A 106 -0.327 -15.986 7.170 1.00 0.33 O ATOM 1696 CB LYS A 106 1.568 -14.420 8.366 1.00 2.72 C ATOM 1697 CG LYS A 106 2.917 -13.724 8.561 1.00 3.73 C ATOM 1698 CD LYS A 106 3.966 -14.756 8.976 1.00 4.42 C ATOM 1699 CE LYS A 106 4.000 -14.864 10.501 1.00 4.34 C ATOM 1700 NZ LYS A 106 5.282 -14.302 11.010 1.00 5.53 N ATOM 0 H LYS A 106 -0.885 -12.930 7.478 1.00 1.71 H new ATOM 0 HA LYS A 106 1.727 -13.704 6.341 1.00 1.96 H new ATOM 0 HB2 LYS A 106 0.905 -14.192 9.200 1.00 2.72 H new ATOM 0 HB3 LYS A 106 1.703 -15.502 8.353 1.00 2.72 H new ATOM 0 HG2 LYS A 106 3.221 -13.231 7.638 1.00 3.73 H new ATOM 0 HG3 LYS A 106 2.832 -12.949 9.323 1.00 3.73 H new ATOM 0 HD2 LYS A 106 3.731 -15.726 8.537 1.00 4.42 H new ATOM 0 HD3 LYS A 106 4.947 -14.465 8.599 1.00 4.42 H new ATOM 0 HE2 LYS A 106 3.157 -14.325 10.933 1.00 4.34 H new ATOM 0 HE3 LYS A 106 3.901 -15.906 10.805 1.00 4.34 H new ATOM 0 HZ1 LYS A 106 5.306 -14.375 12.047 1.00 5.53 H new ATOM 0 HZ2 LYS A 106 6.079 -14.835 10.607 1.00 5.53 H new ATOM 0 HZ3 LYS A 106 5.358 -13.303 10.732 1.00 5.53 H new ATOM 1714 N GLU A 107 -0.220 -15.012 5.203 1.00 1.56 N ATOM 1715 CA GLU A 107 -1.057 -16.074 4.575 1.00 0.82 C ATOM 1716 C GLU A 107 -0.286 -16.710 3.430 1.00 1.11 C ATOM 1717 O GLU A 107 0.076 -17.868 3.481 1.00 2.44 O ATOM 1718 CB GLU A 107 -2.352 -15.460 4.042 1.00 1.37 C ATOM 1719 CG GLU A 107 -3.478 -15.677 5.055 1.00 0.68 C ATOM 1720 CD GLU A 107 -4.307 -14.398 5.176 1.00 1.89 C ATOM 1721 OE1 GLU A 107 -3.714 -13.332 5.222 1.00 2.91 O ATOM 1722 OE2 GLU A 107 -5.521 -14.504 5.220 1.00 2.27 O ATOM 0 H GLU A 107 0.085 -14.271 4.572 1.00 1.56 H new ATOM 0 HA GLU A 107 -1.299 -16.833 5.318 1.00 0.82 H new ATOM 0 HB2 GLU A 107 -2.213 -14.394 3.860 1.00 1.37 H new ATOM 0 HB3 GLU A 107 -2.616 -15.915 3.087 1.00 1.37 H new ATOM 0 HG2 GLU A 107 -4.112 -16.505 4.739 1.00 0.68 H new ATOM 0 HG3 GLU A 107 -3.062 -15.947 6.026 1.00 0.68 H new ATOM 1729 N ALA A 108 -0.021 -15.967 2.399 1.00 1.26 N ATOM 1730 CA ALA A 108 0.734 -16.549 1.267 1.00 1.44 C ATOM 1731 C ALA A 108 2.199 -16.677 1.673 1.00 0.88 C ATOM 1732 O ALA A 108 2.678 -15.986 2.550 1.00 0.89 O ATOM 1733 CB ALA A 108 0.613 -15.647 0.040 1.00 2.47 C ATOM 0 H ALA A 108 -0.292 -14.990 2.292 1.00 1.26 H new ATOM 0 HA ALA A 108 0.330 -17.530 1.019 1.00 1.44 H new ATOM 0 HB1 ALA A 108 1.172 -16.083 -0.788 1.00 2.47 H new ATOM 0 HB2 ALA A 108 -0.436 -15.552 -0.240 1.00 2.47 H new ATOM 0 HB3 ALA A 108 1.017 -14.662 0.272 1.00 2.47 H new ATOM 1739 N ASP A 109 2.903 -17.567 1.044 1.00 1.06 N ATOM 1740 CA ASP A 109 4.340 -17.772 1.375 1.00 0.85 C ATOM 1741 C ASP A 109 5.068 -16.428 1.322 1.00 0.77 C ATOM 1742 O ASP A 109 5.445 -15.874 2.336 1.00 1.79 O ATOM 1743 CB ASP A 109 4.956 -18.736 0.357 1.00 1.19 C ATOM 1744 CG ASP A 109 4.323 -20.118 0.520 1.00 1.01 C ATOM 1745 OD1 ASP A 109 3.189 -20.179 0.967 1.00 0.85 O ATOM 1746 OD2 ASP A 109 4.981 -21.093 0.195 1.00 1.88 O ATOM 0 H ASP A 109 2.543 -18.171 0.305 1.00 1.06 H new ATOM 0 HA ASP A 109 4.434 -18.192 2.376 1.00 0.85 H new ATOM 0 HB2 ASP A 109 4.793 -18.366 -0.655 1.00 1.19 H new ATOM 0 HB3 ASP A 109 6.034 -18.798 0.504 1.00 1.19 H new ATOM 1751 N GLN A 110 5.261 -15.897 0.150 1.00 0.52 N ATOM 1752 CA GLN A 110 5.953 -14.584 0.031 1.00 0.67 C ATOM 1753 C GLN A 110 6.021 -14.177 -1.439 1.00 0.44 C ATOM 1754 O GLN A 110 7.017 -14.380 -2.104 1.00 0.55 O ATOM 1755 CB GLN A 110 7.370 -14.682 0.599 1.00 0.87 C ATOM 1756 CG GLN A 110 8.036 -15.976 0.131 1.00 1.62 C ATOM 1757 CD GLN A 110 8.356 -16.851 1.345 1.00 1.94 C ATOM 1758 OE1 GLN A 110 7.623 -17.765 1.662 1.00 2.74 O ATOM 1759 NE2 GLN A 110 9.429 -16.605 2.044 1.00 1.65 N ATOM 0 H GLN A 110 4.969 -16.315 -0.733 1.00 0.52 H new ATOM 0 HA GLN A 110 5.396 -13.836 0.594 1.00 0.67 H new ATOM 0 HB2 GLN A 110 7.959 -13.824 0.277 1.00 0.87 H new ATOM 0 HB3 GLN A 110 7.336 -14.655 1.688 1.00 0.87 H new ATOM 0 HG2 GLN A 110 7.377 -16.511 -0.553 1.00 1.62 H new ATOM 0 HG3 GLN A 110 8.950 -15.750 -0.419 1.00 1.62 H new ATOM 0 HE21 GLN A 110 10.046 -15.837 1.778 1.00 1.65 H new ATOM 0 HE22 GLN A 110 9.652 -17.180 2.856 1.00 1.65 H new ATOM 1768 N SER A 111 4.971 -13.600 -1.950 1.00 0.66 N ATOM 1769 CA SER A 111 4.980 -13.177 -3.382 1.00 0.47 C ATOM 1770 C SER A 111 5.717 -11.845 -3.509 1.00 0.51 C ATOM 1771 O SER A 111 5.581 -10.972 -2.678 1.00 1.11 O ATOM 1772 CB SER A 111 3.549 -13.013 -3.887 1.00 0.76 C ATOM 1773 OG SER A 111 3.566 -12.827 -5.296 1.00 2.06 O ATOM 0 H SER A 111 4.109 -13.402 -1.443 1.00 0.66 H new ATOM 0 HA SER A 111 5.484 -13.938 -3.978 1.00 0.47 H new ATOM 0 HB2 SER A 111 2.958 -13.893 -3.632 1.00 0.76 H new ATOM 0 HB3 SER A 111 3.076 -12.159 -3.402 1.00 0.76 H new ATOM 0 HG SER A 111 2.648 -12.723 -5.623 1.00 2.06 H new ATOM 1779 N THR A 112 6.501 -11.692 -4.542 1.00 0.21 N ATOM 1780 CA THR A 112 7.267 -10.427 -4.735 1.00 0.17 C ATOM 1781 C THR A 112 6.349 -9.210 -4.580 1.00 0.29 C ATOM 1782 O THR A 112 5.255 -9.165 -5.107 1.00 0.23 O ATOM 1783 CB THR A 112 7.904 -10.440 -6.121 1.00 0.13 C ATOM 1784 OG1 THR A 112 6.886 -10.460 -7.114 1.00 0.11 O ATOM 1785 CG2 THR A 112 8.775 -11.690 -6.245 1.00 0.13 C ATOM 0 H THR A 112 6.645 -12.395 -5.267 1.00 0.21 H new ATOM 0 HA THR A 112 8.046 -10.357 -3.975 1.00 0.17 H new ATOM 0 HB THR A 112 8.515 -9.548 -6.261 1.00 0.13 H new ATOM 0 HG1 THR A 112 7.297 -10.467 -8.004 1.00 0.11 H new ATOM 0 HG21 THR A 112 9.238 -11.714 -7.231 1.00 0.13 H new ATOM 0 HG22 THR A 112 9.551 -11.670 -5.480 1.00 0.13 H new ATOM 0 HG23 THR A 112 8.158 -12.578 -6.112 1.00 0.13 H new ATOM 1793 N LEU A 113 6.796 -8.230 -3.839 1.00 0.53 N ATOM 1794 CA LEU A 113 5.972 -7.008 -3.611 1.00 0.66 C ATOM 1795 C LEU A 113 5.543 -6.387 -4.945 1.00 0.64 C ATOM 1796 O LEU A 113 4.585 -5.649 -5.007 1.00 0.74 O ATOM 1797 CB LEU A 113 6.795 -5.985 -2.824 1.00 0.79 C ATOM 1798 CG LEU A 113 5.888 -4.842 -2.364 1.00 0.81 C ATOM 1799 CD1 LEU A 113 6.167 -4.530 -0.892 1.00 0.92 C ATOM 1800 CD2 LEU A 113 6.169 -3.598 -3.209 1.00 0.77 C ATOM 0 H LEU A 113 7.706 -8.225 -3.378 1.00 0.53 H new ATOM 0 HA LEU A 113 5.080 -7.288 -3.051 1.00 0.66 H new ATOM 0 HB2 LEU A 113 7.260 -6.463 -1.962 1.00 0.79 H new ATOM 0 HB3 LEU A 113 7.601 -5.596 -3.446 1.00 0.79 H new ATOM 0 HG LEU A 113 4.845 -5.136 -2.482 1.00 0.81 H new ATOM 0 HD11 LEU A 113 5.521 -3.716 -0.564 1.00 0.92 H new ATOM 0 HD12 LEU A 113 5.969 -5.416 -0.288 1.00 0.92 H new ATOM 0 HD13 LEU A 113 7.210 -4.236 -0.774 1.00 0.92 H new ATOM 0 HD21 LEU A 113 5.523 -2.783 -2.882 1.00 0.77 H new ATOM 0 HD22 LEU A 113 7.212 -3.305 -3.090 1.00 0.77 H new ATOM 0 HD23 LEU A 113 5.972 -3.819 -4.258 1.00 0.77 H new ATOM 1812 N GLU A 114 6.244 -6.662 -6.009 1.00 0.54 N ATOM 1813 CA GLU A 114 5.864 -6.064 -7.322 1.00 0.56 C ATOM 1814 C GLU A 114 4.427 -6.457 -7.688 1.00 0.49 C ATOM 1815 O GLU A 114 3.570 -5.615 -7.876 1.00 0.59 O ATOM 1816 CB GLU A 114 6.823 -6.567 -8.403 1.00 0.56 C ATOM 1817 CG GLU A 114 7.123 -5.438 -9.393 1.00 0.86 C ATOM 1818 CD GLU A 114 6.573 -5.805 -10.773 1.00 2.04 C ATOM 1819 OE1 GLU A 114 5.369 -5.723 -10.950 1.00 3.56 O ATOM 1820 OE2 GLU A 114 7.366 -6.163 -11.630 1.00 1.53 O ATOM 0 H GLU A 114 7.061 -7.272 -6.028 1.00 0.54 H new ATOM 0 HA GLU A 114 5.925 -4.978 -7.250 1.00 0.56 H new ATOM 0 HB2 GLU A 114 7.748 -6.919 -7.947 1.00 0.56 H new ATOM 0 HB3 GLU A 114 6.383 -7.416 -8.927 1.00 0.56 H new ATOM 0 HG2 GLU A 114 6.673 -4.508 -9.047 1.00 0.86 H new ATOM 0 HG3 GLU A 114 8.198 -5.269 -9.452 1.00 0.86 H new ATOM 1827 N ASN A 115 4.161 -7.728 -7.798 1.00 0.32 N ATOM 1828 CA ASN A 115 2.785 -8.180 -8.164 1.00 0.26 C ATOM 1829 C ASN A 115 1.778 -7.744 -7.093 1.00 0.28 C ATOM 1830 O ASN A 115 0.601 -7.616 -7.359 1.00 0.26 O ATOM 1831 CB ASN A 115 2.768 -9.705 -8.285 1.00 0.23 C ATOM 1832 CG ASN A 115 3.292 -10.114 -9.663 1.00 1.05 C ATOM 1833 OD1 ASN A 115 4.481 -10.076 -9.909 1.00 2.17 O ATOM 1834 ND2 ASN A 115 2.448 -10.504 -10.579 1.00 1.24 N ATOM 0 H ASN A 115 4.837 -8.477 -7.650 1.00 0.32 H new ATOM 0 HA ASN A 115 2.506 -7.729 -9.116 1.00 0.26 H new ATOM 0 HB2 ASN A 115 3.384 -10.149 -7.503 1.00 0.23 H new ATOM 0 HB3 ASN A 115 1.754 -10.080 -8.144 1.00 0.23 H new ATOM 0 HD21 ASN A 115 2.787 -10.777 -11.502 1.00 1.24 H new ATOM 0 HD22 ASN A 115 1.450 -10.536 -10.372 1.00 1.24 H new ATOM 1841 N PHE A 116 2.224 -7.521 -5.887 1.00 0.34 N ATOM 1842 CA PHE A 116 1.282 -7.102 -4.808 1.00 0.38 C ATOM 1843 C PHE A 116 0.731 -5.704 -5.114 1.00 0.42 C ATOM 1844 O PHE A 116 -0.465 -5.482 -5.107 1.00 0.46 O ATOM 1845 CB PHE A 116 2.029 -7.086 -3.469 1.00 0.42 C ATOM 1846 CG PHE A 116 1.451 -6.020 -2.568 1.00 0.42 C ATOM 1847 CD1 PHE A 116 0.375 -6.321 -1.724 1.00 0.69 C ATOM 1848 CD2 PHE A 116 1.996 -4.731 -2.574 1.00 0.60 C ATOM 1849 CE1 PHE A 116 -0.156 -5.331 -0.888 1.00 0.92 C ATOM 1850 CE2 PHE A 116 1.465 -3.741 -1.740 1.00 0.93 C ATOM 1851 CZ PHE A 116 0.389 -4.040 -0.897 1.00 1.02 C ATOM 0 H PHE A 116 3.199 -7.610 -5.601 1.00 0.34 H new ATOM 0 HA PHE A 116 0.450 -7.805 -4.754 1.00 0.38 H new ATOM 0 HB2 PHE A 116 1.952 -8.061 -2.988 1.00 0.42 H new ATOM 0 HB3 PHE A 116 3.089 -6.896 -3.637 1.00 0.42 H new ATOM 0 HD1 PHE A 116 -0.045 -7.316 -1.718 1.00 0.69 H new ATOM 0 HD2 PHE A 116 2.828 -4.500 -3.223 1.00 0.60 H new ATOM 0 HE1 PHE A 116 -0.986 -5.562 -0.236 1.00 0.92 H new ATOM 0 HE2 PHE A 116 1.886 -2.746 -1.747 1.00 0.93 H new ATOM 0 HZ PHE A 116 -0.021 -3.276 -0.253 1.00 1.02 H new ATOM 1861 N LEU A 117 1.590 -4.761 -5.382 1.00 0.43 N ATOM 1862 CA LEU A 117 1.115 -3.383 -5.684 1.00 0.48 C ATOM 1863 C LEU A 117 0.280 -3.407 -6.963 1.00 0.47 C ATOM 1864 O LEU A 117 -0.641 -2.632 -7.125 1.00 0.50 O ATOM 1865 CB LEU A 117 2.319 -2.456 -5.868 1.00 0.52 C ATOM 1866 CG LEU A 117 2.687 -1.833 -4.520 1.00 0.61 C ATOM 1867 CD1 LEU A 117 4.129 -1.326 -4.566 1.00 0.91 C ATOM 1868 CD2 LEU A 117 1.744 -0.665 -4.223 1.00 1.17 C ATOM 0 H LEU A 117 2.602 -4.886 -5.405 1.00 0.43 H new ATOM 0 HA LEU A 117 0.504 -3.016 -4.859 1.00 0.48 H new ATOM 0 HB2 LEU A 117 3.166 -3.015 -6.267 1.00 0.52 H new ATOM 0 HB3 LEU A 117 2.084 -1.675 -6.591 1.00 0.52 H new ATOM 0 HG LEU A 117 2.593 -2.585 -3.736 1.00 0.61 H new ATOM 0 HD11 LEU A 117 4.390 -0.882 -3.605 1.00 0.91 H new ATOM 0 HD12 LEU A 117 4.801 -2.158 -4.776 1.00 0.91 H new ATOM 0 HD13 LEU A 117 4.226 -0.575 -5.350 1.00 0.91 H new ATOM 0 HD21 LEU A 117 2.006 -0.221 -3.263 1.00 1.17 H new ATOM 0 HD22 LEU A 117 1.837 0.086 -5.007 1.00 1.17 H new ATOM 0 HD23 LEU A 117 0.716 -1.027 -4.187 1.00 1.17 H new ATOM 1880 N GLU A 118 0.585 -4.295 -7.867 1.00 0.44 N ATOM 1881 CA GLU A 118 -0.206 -4.371 -9.126 1.00 0.43 C ATOM 1882 C GLU A 118 -1.656 -4.715 -8.775 1.00 0.43 C ATOM 1883 O GLU A 118 -2.591 -4.105 -9.259 1.00 0.48 O ATOM 1884 CB GLU A 118 0.385 -5.455 -10.035 1.00 0.39 C ATOM 1885 CG GLU A 118 -0.738 -6.305 -10.631 1.00 1.03 C ATOM 1886 CD GLU A 118 -0.165 -7.214 -11.722 1.00 1.59 C ATOM 1887 OE1 GLU A 118 1.020 -7.497 -11.666 1.00 2.14 O ATOM 1888 OE2 GLU A 118 -0.923 -7.611 -12.592 1.00 2.34 O ATOM 0 H GLU A 118 1.346 -4.970 -7.789 1.00 0.44 H new ATOM 0 HA GLU A 118 -0.173 -3.415 -9.649 1.00 0.43 H new ATOM 0 HB2 GLU A 118 0.967 -4.995 -10.833 1.00 0.39 H new ATOM 0 HB3 GLU A 118 1.068 -6.086 -9.466 1.00 0.39 H new ATOM 0 HG2 GLU A 118 -1.207 -6.905 -9.852 1.00 1.03 H new ATOM 0 HG3 GLU A 118 -1.513 -5.662 -11.048 1.00 1.03 H new ATOM 1895 N ARG A 119 -1.845 -5.682 -7.922 1.00 0.42 N ATOM 1896 CA ARG A 119 -3.226 -6.071 -7.520 1.00 0.42 C ATOM 1897 C ARG A 119 -3.848 -4.957 -6.670 1.00 0.44 C ATOM 1898 O ARG A 119 -5.049 -4.886 -6.523 1.00 0.45 O ATOM 1899 CB ARG A 119 -3.172 -7.366 -6.707 1.00 0.41 C ATOM 1900 CG ARG A 119 -2.377 -8.420 -7.480 1.00 0.28 C ATOM 1901 CD ARG A 119 -3.163 -9.733 -7.512 1.00 0.95 C ATOM 1902 NE ARG A 119 -2.309 -10.810 -8.092 1.00 1.74 N ATOM 1903 CZ ARG A 119 -2.634 -12.076 -7.961 1.00 2.59 C ATOM 1904 NH1 ARG A 119 -3.723 -12.437 -7.325 1.00 2.84 N ATOM 1905 NH2 ARG A 119 -1.860 -12.993 -8.475 1.00 3.41 N ATOM 0 H ARG A 119 -1.099 -6.222 -7.484 1.00 0.42 H new ATOM 0 HA ARG A 119 -3.834 -6.225 -8.411 1.00 0.42 H new ATOM 0 HB2 ARG A 119 -2.706 -7.181 -5.739 1.00 0.41 H new ATOM 0 HB3 ARG A 119 -4.181 -7.728 -6.511 1.00 0.41 H new ATOM 0 HG2 ARG A 119 -2.186 -8.074 -8.496 1.00 0.28 H new ATOM 0 HG3 ARG A 119 -1.407 -8.576 -7.009 1.00 0.28 H new ATOM 0 HD2 ARG A 119 -3.477 -10.006 -6.504 1.00 0.95 H new ATOM 0 HD3 ARG A 119 -4.069 -9.613 -8.106 1.00 0.95 H new ATOM 0 HE ARG A 119 -1.460 -10.559 -8.598 1.00 1.74 H new ATOM 0 HH11 ARG A 119 -4.336 -11.729 -6.921 1.00 2.84 H new ATOM 0 HH12 ARG A 119 -3.957 -13.426 -7.235 1.00 2.84 H new ATOM 0 HH21 ARG A 119 -1.012 -12.724 -8.973 1.00 3.41 H new ATOM 0 HH22 ARG A 119 -2.104 -13.979 -8.379 1.00 3.41 H new ATOM 1919 N LEU A 120 -3.050 -4.085 -6.108 1.00 0.46 N ATOM 1920 CA LEU A 120 -3.622 -2.984 -5.282 1.00 0.50 C ATOM 1921 C LEU A 120 -4.224 -1.922 -6.209 1.00 0.46 C ATOM 1922 O LEU A 120 -5.248 -1.334 -5.922 1.00 0.44 O ATOM 1923 CB LEU A 120 -2.513 -2.358 -4.433 1.00 0.53 C ATOM 1924 CG LEU A 120 -2.821 -2.576 -2.950 1.00 0.53 C ATOM 1925 CD1 LEU A 120 -2.257 -3.926 -2.504 1.00 1.75 C ATOM 1926 CD2 LEU A 120 -2.175 -1.459 -2.127 1.00 1.03 C ATOM 0 H LEU A 120 -2.033 -4.089 -6.186 1.00 0.46 H new ATOM 0 HA LEU A 120 -4.398 -3.378 -4.626 1.00 0.50 H new ATOM 0 HB2 LEU A 120 -1.551 -2.805 -4.685 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -2.435 -1.292 -4.646 1.00 0.53 H new ATOM 0 HG LEU A 120 -3.900 -2.565 -2.798 1.00 0.53 H new ATOM 0 HD11 LEU A 120 -2.477 -4.081 -1.448 1.00 1.75 H new ATOM 0 HD12 LEU A 120 -2.714 -4.723 -3.090 1.00 1.75 H new ATOM 0 HD13 LEU A 120 -1.178 -3.937 -2.656 1.00 1.75 H new ATOM 0 HD21 LEU A 120 -2.393 -1.613 -1.070 1.00 1.03 H new ATOM 0 HD22 LEU A 120 -1.096 -1.472 -2.280 1.00 1.03 H new ATOM 0 HD23 LEU A 120 -2.575 -0.496 -2.444 1.00 1.03 H new ATOM 1938 N LYS A 121 -3.595 -1.684 -7.329 1.00 0.50 N ATOM 1939 CA LYS A 121 -4.116 -0.676 -8.298 1.00 0.49 C ATOM 1940 C LYS A 121 -5.375 -1.219 -8.964 1.00 0.50 C ATOM 1941 O LYS A 121 -6.265 -0.482 -9.344 1.00 0.57 O ATOM 1942 CB LYS A 121 -3.071 -0.439 -9.386 1.00 0.52 C ATOM 1943 CG LYS A 121 -3.074 1.034 -9.799 1.00 0.21 C ATOM 1944 CD LYS A 121 -2.643 1.148 -11.262 1.00 0.34 C ATOM 1945 CE LYS A 121 -3.802 0.732 -12.170 1.00 1.05 C ATOM 1946 NZ LYS A 121 -3.298 0.541 -13.559 1.00 1.20 N ATOM 0 H LYS A 121 -2.734 -2.149 -7.617 1.00 0.50 H new ATOM 0 HA LYS A 121 -4.336 0.251 -7.769 1.00 0.49 H new ATOM 0 HB2 LYS A 121 -2.083 -0.721 -9.021 1.00 0.52 H new ATOM 0 HB3 LYS A 121 -3.284 -1.068 -10.250 1.00 0.52 H new ATOM 0 HG2 LYS A 121 -4.069 1.459 -9.667 1.00 0.21 H new ATOM 0 HG3 LYS A 121 -2.397 1.604 -9.163 1.00 0.21 H new ATOM 0 HD2 LYS A 121 -2.342 2.172 -11.485 1.00 0.34 H new ATOM 0 HD3 LYS A 121 -1.776 0.514 -11.447 1.00 0.34 H new ATOM 0 HE2 LYS A 121 -4.252 -0.191 -11.804 1.00 1.05 H new ATOM 0 HE3 LYS A 121 -4.581 1.494 -12.156 1.00 1.05 H new ATOM 0 HZ1 LYS A 121 -4.085 0.258 -14.178 1.00 1.20 H new ATOM 0 HZ2 LYS A 121 -2.888 1.432 -13.905 1.00 1.20 H new ATOM 0 HZ3 LYS A 121 -2.569 -0.201 -13.565 1.00 1.20 H new ATOM 1960 N THR A 122 -5.439 -2.504 -9.130 1.00 0.65 N ATOM 1961 CA THR A 122 -6.618 -3.117 -9.796 1.00 0.67 C ATOM 1962 C THR A 122 -7.808 -3.154 -8.833 1.00 0.66 C ATOM 1963 O THR A 122 -8.943 -2.955 -9.219 1.00 0.75 O ATOM 1964 CB THR A 122 -6.271 -4.543 -10.236 1.00 0.70 C ATOM 1965 OG1 THR A 122 -4.887 -4.797 -10.040 1.00 0.52 O ATOM 1966 CG2 THR A 122 -6.600 -4.698 -11.716 1.00 1.04 C ATOM 0 H THR A 122 -4.721 -3.164 -8.831 1.00 0.65 H new ATOM 0 HA THR A 122 -6.885 -2.519 -10.667 1.00 0.67 H new ATOM 0 HB THR A 122 -6.850 -5.250 -9.642 1.00 0.70 H new ATOM 0 HG1 THR A 122 -4.646 -5.646 -10.467 1.00 0.52 H new ATOM 0 HG21 THR A 122 -6.356 -5.710 -12.039 1.00 1.04 H new ATOM 0 HG22 THR A 122 -7.662 -4.513 -11.874 1.00 1.04 H new ATOM 0 HG23 THR A 122 -6.017 -3.982 -12.295 1.00 1.04 H new ATOM 1974 N ILE A 123 -7.554 -3.423 -7.589 1.00 0.60 N ATOM 1975 CA ILE A 123 -8.656 -3.495 -6.586 1.00 0.60 C ATOM 1976 C ILE A 123 -9.226 -2.103 -6.301 1.00 0.58 C ATOM 1977 O ILE A 123 -10.395 -1.951 -6.023 1.00 0.62 O ATOM 1978 CB ILE A 123 -8.111 -4.080 -5.286 1.00 0.59 C ATOM 1979 CG1 ILE A 123 -7.726 -5.545 -5.508 1.00 0.59 C ATOM 1980 CG2 ILE A 123 -9.185 -3.993 -4.201 1.00 0.61 C ATOM 1981 CD1 ILE A 123 -8.978 -6.421 -5.437 1.00 0.97 C ATOM 0 H ILE A 123 -6.621 -3.599 -7.215 1.00 0.60 H new ATOM 0 HA ILE A 123 -9.450 -4.125 -6.987 1.00 0.60 H new ATOM 0 HB ILE A 123 -7.231 -3.517 -4.973 1.00 0.59 H new ATOM 0 HG12 ILE A 123 -7.243 -5.662 -6.478 1.00 0.59 H new ATOM 0 HG13 ILE A 123 -7.006 -5.861 -4.753 1.00 0.59 H new ATOM 0 HG21 ILE A 123 -8.798 -4.410 -3.271 1.00 0.61 H new ATOM 0 HG22 ILE A 123 -9.460 -2.950 -4.044 1.00 0.61 H new ATOM 0 HG23 ILE A 123 -10.064 -4.557 -4.513 1.00 0.61 H new ATOM 0 HD11 ILE A 123 -8.702 -7.464 -5.595 1.00 0.97 H new ATOM 0 HD12 ILE A 123 -9.442 -6.313 -4.457 1.00 0.97 H new ATOM 0 HD13 ILE A 123 -9.683 -6.111 -6.208 1.00 0.97 H new ATOM 1993 N MET A 124 -8.419 -1.088 -6.343 1.00 0.55 N ATOM 1994 CA MET A 124 -8.944 0.278 -6.051 1.00 0.57 C ATOM 1995 C MET A 124 -9.629 0.859 -7.290 1.00 0.44 C ATOM 1996 O MET A 124 -10.585 1.599 -7.188 1.00 0.49 O ATOM 1997 CB MET A 124 -7.799 1.185 -5.608 1.00 0.63 C ATOM 1998 CG MET A 124 -7.907 1.402 -4.100 1.00 1.44 C ATOM 1999 SD MET A 124 -6.271 1.308 -3.347 1.00 0.53 S ATOM 2000 CE MET A 124 -5.952 3.085 -3.368 1.00 0.77 C ATOM 0 H MET A 124 -7.425 -1.138 -6.565 1.00 0.55 H new ATOM 0 HA MET A 124 -9.678 0.212 -5.248 1.00 0.57 H new ATOM 0 HB2 MET A 124 -6.839 0.733 -5.858 1.00 0.63 H new ATOM 0 HB3 MET A 124 -7.847 2.139 -6.132 1.00 0.63 H new ATOM 0 HG2 MET A 124 -8.356 2.374 -3.895 1.00 1.44 H new ATOM 0 HG3 MET A 124 -8.562 0.649 -3.662 1.00 1.44 H new ATOM 0 HE1 MET A 124 -5.099 3.309 -2.727 1.00 0.77 H new ATOM 0 HE2 MET A 124 -5.733 3.403 -4.387 1.00 0.77 H new ATOM 0 HE3 MET A 124 -6.830 3.617 -3.002 1.00 0.77 H new ATOM 2010 N ARG A 125 -9.157 0.543 -8.456 1.00 0.45 N ATOM 2011 CA ARG A 125 -9.790 1.102 -9.684 1.00 0.40 C ATOM 2012 C ARG A 125 -11.176 0.485 -9.920 1.00 0.48 C ATOM 2013 O ARG A 125 -12.119 1.171 -10.256 1.00 0.51 O ATOM 2014 CB ARG A 125 -8.895 0.805 -10.891 1.00 0.69 C ATOM 2015 CG ARG A 125 -9.695 0.991 -12.185 1.00 1.73 C ATOM 2016 CD ARG A 125 -10.265 -0.356 -12.633 1.00 3.35 C ATOM 2017 NE ARG A 125 -10.080 -0.520 -14.113 1.00 3.86 N ATOM 2018 CZ ARG A 125 -10.478 0.391 -14.969 1.00 3.78 C ATOM 2019 NH1 ARG A 125 -11.257 1.381 -14.602 1.00 3.85 N ATOM 2020 NH2 ARG A 125 -10.154 0.268 -16.226 1.00 4.15 N ATOM 0 H ARG A 125 -8.363 -0.076 -8.617 1.00 0.45 H new ATOM 0 HA ARG A 125 -9.908 2.178 -9.554 1.00 0.40 H new ATOM 0 HB2 ARG A 125 -8.031 1.469 -10.888 1.00 0.69 H new ATOM 0 HB3 ARG A 125 -8.514 -0.214 -10.831 1.00 0.69 H new ATOM 0 HG2 ARG A 125 -10.503 1.705 -12.025 1.00 1.73 H new ATOM 0 HG3 ARG A 125 -9.055 1.404 -12.964 1.00 1.73 H new ATOM 0 HD2 ARG A 125 -9.765 -1.167 -12.103 1.00 3.35 H new ATOM 0 HD3 ARG A 125 -11.324 -0.415 -12.381 1.00 3.35 H new ATOM 0 HE ARG A 125 -9.631 -1.366 -14.464 1.00 3.86 H new ATOM 0 HH11 ARG A 125 -11.566 1.454 -13.633 1.00 3.85 H new ATOM 0 HH12 ARG A 125 -11.553 2.077 -15.286 1.00 3.85 H new ATOM 0 HH21 ARG A 125 -9.597 -0.530 -16.534 1.00 4.15 H new ATOM 0 HH22 ARG A 125 -10.457 0.969 -16.902 1.00 4.15 H new ATOM 2034 N GLU A 126 -11.294 -0.807 -9.796 1.00 0.64 N ATOM 2035 CA GLU A 126 -12.607 -1.468 -10.069 1.00 0.81 C ATOM 2036 C GLU A 126 -13.478 -1.607 -8.810 1.00 0.66 C ATOM 2037 O GLU A 126 -14.690 -1.605 -8.894 1.00 0.83 O ATOM 2038 CB GLU A 126 -12.340 -2.862 -10.640 1.00 1.05 C ATOM 2039 CG GLU A 126 -13.190 -3.081 -11.892 1.00 1.45 C ATOM 2040 CD GLU A 126 -12.397 -3.902 -12.909 1.00 1.52 C ATOM 2041 OE1 GLU A 126 -12.252 -5.094 -12.695 1.00 0.96 O ATOM 2042 OE2 GLU A 126 -11.947 -3.325 -13.886 1.00 2.75 O ATOM 0 H GLU A 126 -10.541 -1.436 -9.518 1.00 0.64 H new ATOM 0 HA GLU A 126 -13.152 -0.840 -10.774 1.00 0.81 H new ATOM 0 HB2 GLU A 126 -11.283 -2.969 -10.884 1.00 1.05 H new ATOM 0 HB3 GLU A 126 -12.573 -3.621 -9.894 1.00 1.05 H new ATOM 0 HG2 GLU A 126 -14.113 -3.598 -11.632 1.00 1.45 H new ATOM 0 HG3 GLU A 126 -13.473 -2.122 -12.325 1.00 1.45 H new ATOM 2049 N LYS A 127 -12.895 -1.785 -7.658 1.00 0.43 N ATOM 2050 CA LYS A 127 -13.733 -1.990 -6.436 1.00 0.51 C ATOM 2051 C LYS A 127 -14.079 -0.674 -5.724 1.00 0.72 C ATOM 2052 O LYS A 127 -15.152 -0.543 -5.171 1.00 0.89 O ATOM 2053 CB LYS A 127 -12.999 -2.915 -5.465 1.00 0.47 C ATOM 2054 CG LYS A 127 -13.920 -4.072 -5.074 1.00 0.63 C ATOM 2055 CD LYS A 127 -14.155 -4.964 -6.295 1.00 1.27 C ATOM 2056 CE LYS A 127 -14.114 -6.433 -5.868 1.00 1.47 C ATOM 2057 NZ LYS A 127 -14.800 -7.267 -6.894 1.00 2.42 N ATOM 0 H LYS A 127 -11.886 -1.798 -7.506 1.00 0.43 H new ATOM 0 HA LYS A 127 -14.672 -2.438 -6.761 1.00 0.51 H new ATOM 0 HB2 LYS A 127 -12.090 -3.299 -5.928 1.00 0.47 H new ATOM 0 HB3 LYS A 127 -12.695 -2.361 -4.577 1.00 0.47 H new ATOM 0 HG2 LYS A 127 -13.473 -4.651 -4.266 1.00 0.63 H new ATOM 0 HG3 LYS A 127 -14.869 -3.687 -4.702 1.00 0.63 H new ATOM 0 HD2 LYS A 127 -15.119 -4.732 -6.748 1.00 1.27 H new ATOM 0 HD3 LYS A 127 -13.393 -4.772 -7.051 1.00 1.27 H new ATOM 0 HE2 LYS A 127 -13.081 -6.760 -5.750 1.00 1.47 H new ATOM 0 HE3 LYS A 127 -14.600 -6.555 -4.900 1.00 1.47 H new ATOM 0 HZ1 LYS A 127 -14.773 -8.266 -6.605 1.00 2.42 H new ATOM 0 HZ2 LYS A 127 -15.789 -6.960 -6.986 1.00 2.42 H new ATOM 0 HZ3 LYS A 127 -14.318 -7.158 -7.809 1.00 2.42 H new ATOM 2071 N TYR A 128 -13.206 0.297 -5.700 1.00 0.74 N ATOM 2072 CA TYR A 128 -13.562 1.559 -4.983 1.00 0.98 C ATOM 2073 C TYR A 128 -14.580 2.373 -5.797 1.00 1.19 C ATOM 2074 O TYR A 128 -15.196 3.289 -5.289 1.00 1.61 O ATOM 2075 CB TYR A 128 -12.303 2.395 -4.730 1.00 0.80 C ATOM 2076 CG TYR A 128 -12.513 3.805 -5.230 1.00 1.34 C ATOM 2077 CD1 TYR A 128 -12.290 4.116 -6.577 1.00 2.31 C ATOM 2078 CD2 TYR A 128 -12.933 4.803 -4.342 1.00 2.73 C ATOM 2079 CE1 TYR A 128 -12.488 5.424 -7.034 1.00 3.94 C ATOM 2080 CE2 TYR A 128 -13.132 6.111 -4.800 1.00 4.16 C ATOM 2081 CZ TYR A 128 -12.909 6.422 -6.147 1.00 4.68 C ATOM 2082 OH TYR A 128 -13.104 7.711 -6.599 1.00 6.36 O ATOM 0 H TYR A 128 -12.283 0.276 -6.134 1.00 0.74 H new ATOM 0 HA TYR A 128 -14.013 1.297 -4.026 1.00 0.98 H new ATOM 0 HB2 TYR A 128 -12.073 2.408 -3.665 1.00 0.80 H new ATOM 0 HB3 TYR A 128 -11.449 1.944 -5.235 1.00 0.80 H new ATOM 0 HD1 TYR A 128 -11.966 3.347 -7.263 1.00 2.31 H new ATOM 0 HD2 TYR A 128 -13.104 4.563 -3.303 1.00 2.73 H new ATOM 0 HE1 TYR A 128 -12.316 5.664 -8.073 1.00 3.94 H new ATOM 0 HE2 TYR A 128 -13.457 6.880 -4.115 1.00 4.16 H new ATOM 0 HH TYR A 128 -13.397 8.278 -5.855 1.00 6.36 H new