USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 81:sc= 1.38 USER MOD Set 1.2: A 16 HIS : no HD1:sc= -3.19 K(o=-1.8,f=0.4) USER MOD Set 1.3: A 90 THR OG1 : rot -20:sc= -1.66! USER MOD Set 1.4: A 108 CYS SG : rot -5:sc= 1.54 USER MOD Set 1.5: A 110 ASN : amide:sc= 0.152 K(o=-1.8,f=0.4) USER MOD Set 2.1: A 80 SER OG : rot 160:sc= 0.0673 USER MOD Set 2.2: A 82 ASN : amide:sc= 0.269 X(o=0.34,f=0.098) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 17 ASN : amide:sc= 0.244 K(o=0.24,f=-3.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.024) USER MOD Single : A 29 CYS SG : rot -86:sc= 0.882 USER MOD Single : A 32 THR OG1 : rot 101:sc= -0.159 USER MOD Single : A 35 TYR OH : rot 30:sc= 0.976 USER MOD Single : A 36 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.2) USER MOD Single : A 38 GLN : amide:sc= -1.4! C(o=-1.4!,f=-4.4!) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.277 (180deg=-0.0946) USER MOD Single : A 44 ASN : amide:sc= -1.12! C(o=-1.1!,f=-11!) USER MOD Single : A 49 CYS SG : rot -54:sc= -1.06 USER MOD Single : A 50 HIS : no HD1:sc= -3.59 X(o=-3.6,f=-3.9!) USER MOD Single : A 54 GLN : amide:sc= -1.08! C(o=-1.1!,f=-2.4!) USER MOD Single : A 55 GLN : amide:sc= -0.672 K(o=-0.67,f=-1.7) USER MOD Single : A 60 SER OG : rot 85:sc= 0.813 USER MOD Single : A 62 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.76) USER MOD Single : A 63 GLN : amide:sc= 0.165 X(o=0.17,f=-0.26) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc=-0.00819 (180deg=-0.142) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.072) USER MOD Single : A 73 SER OG : rot 44:sc= 0.0581 USER MOD Single : A 75 MET CE :methyl -146:sc= 0 (180deg=-1.27) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.09) USER MOD Single : A 88 MET CE :methyl -164:sc= -4.09 (180deg=-5.78!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 92 SER OG : rot 76:sc= 0.746 USER MOD Single : A 94 THR OG1 : rot -127:sc= -1.73! USER MOD Single : A 96 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.8!) USER MOD Single : A 105 TYR OH : rot -68:sc= 0.557 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 112 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.734 11.382 -10.255 1.00 0.00 N ATOM 108 CA PRO A 9 -2.692 10.077 -10.928 1.00 0.00 C ATOM 109 C PRO A 9 -3.201 8.967 -10.013 1.00 0.00 C ATOM 110 O PRO A 9 -3.101 9.072 -8.790 1.00 0.00 O ATOM 111 CB PRO A 9 -1.207 9.877 -11.238 1.00 0.00 C ATOM 112 CG PRO A 9 -0.626 11.248 -11.227 1.00 0.00 C ATOM 113 CD PRO A 9 -1.410 12.017 -10.203 1.00 0.00 C ATOM 0 HA PRO A 9 -3.324 10.046 -11.816 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.730 9.240 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.067 9.396 -12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.433 11.222 -10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.704 11.714 -12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.964 11.939 -9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.461 13.078 -10.447 1.00 0.00 H new ATOM 121 N THR A 10 -3.721 7.895 -10.596 1.00 0.00 N ATOM 122 CA THR A 10 -4.391 6.860 -9.828 1.00 0.00 C ATOM 123 C THR A 10 -3.403 5.833 -9.278 1.00 0.00 C ATOM 124 O THR A 10 -3.788 4.746 -8.850 1.00 0.00 O ATOM 125 CB THR A 10 -5.448 6.158 -10.693 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.783 6.998 -11.805 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.701 5.874 -9.880 1.00 0.00 C ATOM 0 H THR A 10 -3.690 7.721 -11.601 1.00 0.00 H new ATOM 0 HA THR A 10 -4.877 7.343 -8.980 1.00 0.00 H new ATOM 0 HB THR A 10 -5.040 5.212 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.456 6.552 -12.360 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.438 5.376 -10.510 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.450 5.230 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.114 6.812 -9.509 1.00 0.00 H new ATOM 135 N GLU A 11 -2.130 6.190 -9.278 1.00 0.00 N ATOM 136 CA GLU A 11 -1.104 5.367 -8.659 1.00 0.00 C ATOM 137 C GLU A 11 -0.339 6.203 -7.647 1.00 0.00 C ATOM 138 O GLU A 11 0.037 7.337 -7.938 1.00 0.00 O ATOM 139 CB GLU A 11 -0.139 4.818 -9.717 1.00 0.00 C ATOM 140 CG GLU A 11 0.981 3.968 -9.134 1.00 0.00 C ATOM 141 CD GLU A 11 1.969 3.498 -10.177 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.642 2.559 -10.932 1.00 0.00 O ATOM 143 OE2 GLU A 11 3.080 4.058 -10.246 1.00 0.00 O ATOM 0 H GLU A 11 -1.781 7.049 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.579 4.523 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.701 4.221 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.297 5.652 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.509 4.544 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.549 3.101 -8.634 1.00 0.00 H new ATOM 150 N PHE A 12 -0.101 5.657 -6.462 1.00 0.00 N ATOM 151 CA PHE A 12 0.656 6.384 -5.459 1.00 0.00 C ATOM 152 C PHE A 12 1.782 5.529 -4.913 1.00 0.00 C ATOM 153 O PHE A 12 1.658 4.309 -4.798 1.00 0.00 O ATOM 154 CB PHE A 12 -0.241 6.910 -4.322 1.00 0.00 C ATOM 155 CG PHE A 12 -0.733 5.889 -3.319 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.757 5.012 -3.636 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.193 5.842 -2.043 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.228 4.103 -2.703 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.665 4.940 -1.104 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.681 4.068 -1.434 1.00 0.00 C ATOM 0 H PHE A 12 -0.416 4.730 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 12 1.090 7.255 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.310 7.680 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.109 7.394 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.194 5.037 -4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.606 6.518 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.023 3.421 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.237 4.920 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.048 3.361 -0.704 1.00 0.00 H new ATOM 170 N ILE A 13 2.894 6.175 -4.621 1.00 0.00 N ATOM 171 CA ILE A 13 4.029 5.505 -4.030 1.00 0.00 C ATOM 172 C ILE A 13 4.049 5.779 -2.538 1.00 0.00 C ATOM 173 O ILE A 13 3.980 6.935 -2.107 1.00 0.00 O ATOM 174 CB ILE A 13 5.353 5.967 -4.669 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.305 5.755 -6.187 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.531 5.217 -4.057 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.537 6.252 -6.911 1.00 0.00 C ATOM 0 H ILE A 13 3.033 7.172 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 13 3.931 4.435 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 13 5.488 7.030 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.178 4.692 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.429 6.264 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.458 5.556 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.569 5.411 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.410 4.147 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.430 6.068 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.655 7.322 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.415 5.725 -6.538 1.00 0.00 H new ATOM 189 N SER A 14 4.107 4.724 -1.755 1.00 0.00 N ATOM 190 CA SER A 14 4.080 4.858 -0.317 1.00 0.00 C ATOM 191 C SER A 14 5.175 4.021 0.324 1.00 0.00 C ATOM 192 O SER A 14 5.548 2.962 -0.183 1.00 0.00 O ATOM 193 CB SER A 14 2.708 4.445 0.217 1.00 0.00 C ATOM 194 OG SER A 14 2.344 3.156 -0.248 1.00 0.00 O ATOM 0 H SER A 14 4.173 3.763 -2.091 1.00 0.00 H new ATOM 0 HA SER A 14 4.261 5.902 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.722 4.451 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.959 5.172 -0.096 1.00 0.00 H new ATOM 0 HG SER A 14 2.782 2.474 0.303 1.00 0.00 H new ATOM 200 N ARG A 15 5.709 4.512 1.423 1.00 0.00 N ATOM 201 CA ARG A 15 6.681 3.768 2.193 1.00 0.00 C ATOM 202 C ARG A 15 6.139 3.545 3.592 1.00 0.00 C ATOM 203 O ARG A 15 5.629 4.471 4.230 1.00 0.00 O ATOM 204 CB ARG A 15 8.026 4.500 2.215 1.00 0.00 C ATOM 205 CG ARG A 15 8.790 4.366 0.906 1.00 0.00 C ATOM 206 CD ARG A 15 10.089 5.155 0.915 1.00 0.00 C ATOM 207 NE ARG A 15 9.882 6.567 0.602 1.00 0.00 N ATOM 208 CZ ARG A 15 10.631 7.555 1.082 1.00 0.00 C ATOM 209 NH1 ARG A 15 11.607 7.301 1.945 1.00 0.00 N ATOM 210 NH2 ARG A 15 10.403 8.799 0.696 1.00 0.00 N ATOM 0 H ARG A 15 5.483 5.431 1.804 1.00 0.00 H new ATOM 0 HA ARG A 15 6.855 2.797 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.857 5.556 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.636 4.107 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.007 3.314 0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.163 4.712 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.558 5.067 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.780 4.722 0.191 1.00 0.00 H new ATOM 0 HE ARG A 15 9.114 6.810 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.787 6.343 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.177 8.064 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.655 8.998 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.976 9.560 1.062 1.00 0.00 H new ATOM 224 N HIS A 16 6.226 2.311 4.059 1.00 0.00 N ATOM 225 CA HIS A 16 5.572 1.928 5.298 1.00 0.00 C ATOM 226 C HIS A 16 6.435 0.972 6.108 1.00 0.00 C ATOM 227 O HIS A 16 7.187 0.181 5.551 1.00 0.00 O ATOM 228 CB HIS A 16 4.188 1.307 5.014 1.00 0.00 C ATOM 229 CG HIS A 16 4.187 0.037 4.203 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.141 -0.864 4.232 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.084 -0.469 3.325 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.399 -1.863 3.409 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.571 -1.648 2.842 1.00 0.00 N ATOM 0 H HIS A 16 6.741 1.560 3.600 1.00 0.00 H new ATOM 0 HA HIS A 16 5.430 2.831 5.892 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.700 1.106 5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.580 2.047 4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.031 -0.026 3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.758 -2.714 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.021 -2.256 2.158 1.00 0.00 H new ATOM 242 N ASN A 17 6.296 1.042 7.420 1.00 0.00 N ATOM 243 CA ASN A 17 7.084 0.220 8.324 1.00 0.00 C ATOM 244 C ASN A 17 6.610 -1.227 8.236 1.00 0.00 C ATOM 245 O ASN A 17 5.472 -1.477 7.835 1.00 0.00 O ATOM 246 CB ASN A 17 6.971 0.747 9.759 1.00 0.00 C ATOM 247 CG ASN A 17 7.890 0.018 10.725 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.953 -0.471 10.339 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.496 -0.055 11.982 1.00 0.00 N ATOM 0 H ASN A 17 5.638 1.666 7.888 1.00 0.00 H new ATOM 0 HA ASN A 17 8.134 0.265 8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.208 1.811 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.940 0.647 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.079 -0.529 12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.609 0.362 12.263 1.00 0.00 H new ATOM 256 N ILE A 18 7.482 -2.154 8.637 1.00 0.00 N ATOM 257 CA ILE A 18 7.324 -3.594 8.384 1.00 0.00 C ATOM 258 C ILE A 18 5.955 -4.158 8.778 1.00 0.00 C ATOM 259 O ILE A 18 5.512 -5.153 8.205 1.00 0.00 O ATOM 260 CB ILE A 18 8.425 -4.404 9.100 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.438 -4.087 10.599 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.783 -4.113 8.475 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.429 -4.918 11.388 1.00 0.00 C ATOM 0 H ILE A 18 8.331 -1.926 9.154 1.00 0.00 H new ATOM 0 HA ILE A 18 7.412 -3.698 7.303 1.00 0.00 H new ATOM 0 HB ILE A 18 8.210 -5.466 8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.672 -3.031 10.736 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.439 -4.247 11.004 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.551 -4.691 8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.765 -4.390 7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.006 -3.050 8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.382 -4.638 12.440 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.184 -5.975 11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.436 -4.740 11.010 1.00 0.00 H new ATOM 275 N GLU A 19 5.289 -3.533 9.741 1.00 0.00 N ATOM 276 CA GLU A 19 3.971 -3.993 10.176 1.00 0.00 C ATOM 277 C GLU A 19 2.890 -3.618 9.167 1.00 0.00 C ATOM 278 O GLU A 19 1.759 -4.092 9.249 1.00 0.00 O ATOM 279 CB GLU A 19 3.625 -3.405 11.540 1.00 0.00 C ATOM 280 CG GLU A 19 4.593 -3.810 12.633 1.00 0.00 C ATOM 281 CD GLU A 19 4.224 -3.230 13.979 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.421 -2.015 14.182 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.724 -3.984 14.838 1.00 0.00 O ATOM 0 H GLU A 19 5.635 -2.710 10.235 1.00 0.00 H new ATOM 0 HA GLU A 19 4.010 -5.080 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.608 -2.318 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.620 -3.721 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.620 -4.897 12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.597 -3.483 12.363 1.00 0.00 H new ATOM 290 N GLY A 20 3.255 -2.776 8.209 1.00 0.00 N ATOM 291 CA GLY A 20 2.306 -2.291 7.232 1.00 0.00 C ATOM 292 C GLY A 20 1.897 -0.857 7.500 1.00 0.00 C ATOM 293 O GLY A 20 1.012 -0.325 6.831 1.00 0.00 O ATOM 0 H GLY A 20 4.203 -2.418 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.743 -2.363 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.421 -2.928 7.239 1.00 0.00 H new ATOM 297 N ILE A 21 2.577 -0.219 8.448 1.00 0.00 N ATOM 298 CA ILE A 21 2.187 1.116 8.917 1.00 0.00 C ATOM 299 C ILE A 21 2.767 2.206 8.023 1.00 0.00 C ATOM 300 O ILE A 21 3.981 2.355 7.935 1.00 0.00 O ATOM 301 CB ILE A 21 2.662 1.355 10.368 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.141 0.252 11.294 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.215 2.726 10.864 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.632 0.182 11.376 1.00 0.00 C ATOM 0 H ILE A 21 3.402 -0.601 8.910 1.00 0.00 H new ATOM 0 HA ILE A 21 1.099 1.161 8.879 1.00 0.00 H new ATOM 0 HB ILE A 21 3.752 1.327 10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.521 -0.709 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.542 0.412 12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.560 2.873 11.887 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.638 3.500 10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.127 2.786 10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.341 -0.623 12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.244 1.129 11.752 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.222 -0.010 10.384 1.00 0.00 H new ATOM 316 N PHE A 22 1.902 2.972 7.372 1.00 0.00 N ATOM 317 CA PHE A 22 2.351 4.015 6.455 1.00 0.00 C ATOM 318 C PHE A 22 3.032 5.153 7.202 1.00 0.00 C ATOM 319 O PHE A 22 2.484 5.697 8.162 1.00 0.00 O ATOM 320 CB PHE A 22 1.176 4.556 5.644 1.00 0.00 C ATOM 321 CG PHE A 22 0.607 3.560 4.680 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.159 3.407 3.418 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.483 2.776 5.029 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.636 2.494 2.523 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.008 1.865 4.139 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.447 1.722 2.884 1.00 0.00 C ATOM 0 H PHE A 22 0.889 2.893 7.460 1.00 0.00 H new ATOM 0 HA PHE A 22 3.078 3.568 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.390 4.878 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.501 5.439 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.008 4.009 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.925 2.881 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.075 2.385 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.858 1.262 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.857 1.006 2.187 1.00 0.00 H new ATOM 336 N THR A 23 4.232 5.500 6.751 1.00 0.00 N ATOM 337 CA THR A 23 4.997 6.577 7.360 1.00 0.00 C ATOM 338 C THR A 23 5.233 7.706 6.353 1.00 0.00 C ATOM 339 O THR A 23 5.405 8.866 6.729 1.00 0.00 O ATOM 340 CB THR A 23 6.344 6.061 7.924 1.00 0.00 C ATOM 341 OG1 THR A 23 7.002 7.087 8.671 1.00 0.00 O ATOM 342 CG2 THR A 23 7.265 5.571 6.812 1.00 0.00 C ATOM 0 H THR A 23 4.696 5.048 5.963 1.00 0.00 H new ATOM 0 HA THR A 23 4.414 6.970 8.193 1.00 0.00 H new ATOM 0 HB THR A 23 6.120 5.221 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.850 6.744 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.201 5.216 7.244 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.782 4.756 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.471 6.390 6.123 1.00 0.00 H new ATOM 350 N PHE A 24 5.226 7.365 5.066 1.00 0.00 N ATOM 351 CA PHE A 24 5.381 8.355 4.006 1.00 0.00 C ATOM 352 C PHE A 24 4.484 8.009 2.822 1.00 0.00 C ATOM 353 O PHE A 24 4.562 6.905 2.283 1.00 0.00 O ATOM 354 CB PHE A 24 6.846 8.421 3.554 1.00 0.00 C ATOM 355 CG PHE A 24 7.091 9.385 2.422 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.345 10.722 2.679 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.069 8.951 1.105 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.568 11.609 1.643 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.291 9.836 0.066 1.00 0.00 C ATOM 360 CZ PHE A 24 7.541 11.166 0.336 1.00 0.00 C ATOM 0 H PHE A 24 5.114 6.407 4.733 1.00 0.00 H new ATOM 0 HA PHE A 24 5.087 9.330 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.466 8.708 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.167 7.426 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.369 11.075 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.876 7.911 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.764 12.650 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.269 9.487 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.715 11.859 -0.474 1.00 0.00 H new ATOM 370 N VAL A 25 3.625 8.947 2.430 1.00 0.00 N ATOM 371 CA VAL A 25 2.719 8.742 1.303 1.00 0.00 C ATOM 372 C VAL A 25 2.677 9.980 0.401 1.00 0.00 C ATOM 373 O VAL A 25 2.630 11.113 0.888 1.00 0.00 O ATOM 374 CB VAL A 25 1.282 8.422 1.783 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.343 8.259 0.601 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.263 7.171 2.651 1.00 0.00 C ATOM 0 H VAL A 25 3.537 9.859 2.878 1.00 0.00 H new ATOM 0 HA VAL A 25 3.103 7.892 0.738 1.00 0.00 H new ATOM 0 HB VAL A 25 0.937 9.262 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.661 8.035 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.323 9.183 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.692 7.443 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.242 6.968 2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.636 6.324 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.897 7.324 3.524 1.00 0.00 H new ATOM 386 N ASP A 26 2.700 9.754 -0.912 1.00 0.00 N ATOM 387 CA ASP A 26 2.556 10.830 -1.894 1.00 0.00 C ATOM 388 C ASP A 26 1.069 11.147 -2.099 1.00 0.00 C ATOM 389 O ASP A 26 0.216 10.267 -1.981 1.00 0.00 O ATOM 390 CB ASP A 26 3.207 10.415 -3.224 1.00 0.00 C ATOM 391 CG ASP A 26 3.322 11.552 -4.230 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.946 12.698 -3.904 1.00 0.00 O ATOM 393 OD2 ASP A 26 3.795 11.302 -5.360 1.00 0.00 O ATOM 0 H ASP A 26 2.818 8.828 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 26 3.058 11.725 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.202 10.018 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.625 9.607 -3.667 1.00 0.00 H new ATOM 398 N HIS A 27 0.785 12.409 -2.413 1.00 0.00 N ATOM 399 CA HIS A 27 -0.584 12.954 -2.478 1.00 0.00 C ATOM 400 C HIS A 27 -1.489 12.190 -3.434 1.00 0.00 C ATOM 401 O HIS A 27 -2.708 12.350 -3.392 1.00 0.00 O ATOM 402 CB HIS A 27 -0.549 14.421 -2.905 1.00 0.00 C ATOM 403 CG HIS A 27 0.271 15.305 -2.017 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.479 15.842 -2.407 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.047 15.767 -0.762 1.00 0.00 C ATOM 406 CE1 HIS A 27 1.960 16.592 -1.437 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.112 16.565 -0.429 1.00 0.00 N ATOM 0 H HIS A 27 1.504 13.098 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.998 12.851 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.157 14.482 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.570 14.803 -2.934 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.809 15.548 -0.141 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.892 17.137 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.229 17.058 0.456 1.00 0.00 H new ATOM 416 N ARG A 28 -0.896 11.372 -4.288 1.00 0.00 N ATOM 417 CA ARG A 28 -1.646 10.586 -5.263 1.00 0.00 C ATOM 418 C ARG A 28 -2.540 9.566 -4.558 1.00 0.00 C ATOM 419 O ARG A 28 -3.435 8.982 -5.168 1.00 0.00 O ATOM 420 CB ARG A 28 -0.671 9.885 -6.206 1.00 0.00 C ATOM 421 CG ARG A 28 0.412 10.815 -6.725 1.00 0.00 C ATOM 422 CD ARG A 28 1.470 10.084 -7.527 1.00 0.00 C ATOM 423 NE ARG A 28 2.624 10.943 -7.767 1.00 0.00 N ATOM 424 CZ ARG A 28 3.011 11.353 -8.969 1.00 0.00 C ATOM 425 NH1 ARG A 28 2.452 10.847 -10.058 1.00 0.00 N ATOM 426 NH2 ARG A 28 3.992 12.238 -9.080 1.00 0.00 N ATOM 0 H ARG A 28 0.114 11.232 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.288 11.251 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.207 9.048 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.223 9.470 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.043 11.586 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.884 11.322 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.783 9.188 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.050 9.757 -8.478 1.00 0.00 H new ATOM 0 HE ARG A 28 3.168 11.248 -6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.722 10.140 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.752 11.164 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.447 12.602 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.291 12.555 -10.002 1.00 0.00 H new ATOM 440 N CYS A 29 -2.288 9.384 -3.261 1.00 0.00 N ATOM 441 CA CYS A 29 -3.081 8.502 -2.408 1.00 0.00 C ATOM 442 C CYS A 29 -4.569 8.801 -2.534 1.00 0.00 C ATOM 443 O CYS A 29 -5.402 7.892 -2.573 1.00 0.00 O ATOM 444 CB CYS A 29 -2.635 8.676 -0.954 1.00 0.00 C ATOM 445 SG CYS A 29 -3.446 7.569 0.219 1.00 0.00 S ATOM 0 H CYS A 29 -1.523 9.848 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.920 7.472 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.558 8.518 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.823 9.706 -0.651 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.564 8.101 0.615 1.00 0.00 H new ATOM 451 N VAL A 30 -4.890 10.079 -2.638 1.00 0.00 N ATOM 452 CA VAL A 30 -6.273 10.522 -2.682 1.00 0.00 C ATOM 453 C VAL A 30 -6.963 10.013 -3.944 1.00 0.00 C ATOM 454 O VAL A 30 -8.143 9.668 -3.923 1.00 0.00 O ATOM 455 CB VAL A 30 -6.355 12.064 -2.608 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.462 12.570 -1.490 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.971 12.717 -3.929 1.00 0.00 C ATOM 0 H VAL A 30 -4.206 10.833 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.789 10.107 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.390 12.336 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.522 13.657 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.790 12.145 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.432 12.272 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.042 13.800 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.948 12.442 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.647 12.377 -4.713 1.00 0.00 H new ATOM 467 N ALA A 31 -6.207 9.925 -5.026 1.00 0.00 N ATOM 468 CA ALA A 31 -6.767 9.495 -6.295 1.00 0.00 C ATOM 469 C ALA A 31 -6.913 7.985 -6.334 1.00 0.00 C ATOM 470 O ALA A 31 -7.980 7.462 -6.658 1.00 0.00 O ATOM 471 CB ALA A 31 -5.903 9.978 -7.443 1.00 0.00 C ATOM 0 H ALA A 31 -5.211 10.144 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.759 9.934 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.335 9.648 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.853 11.067 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.899 9.567 -7.340 1.00 0.00 H new ATOM 477 N THR A 32 -5.832 7.286 -6.012 1.00 0.00 N ATOM 478 CA THR A 32 -5.839 5.838 -5.957 1.00 0.00 C ATOM 479 C THR A 32 -6.867 5.289 -4.967 1.00 0.00 C ATOM 480 O THR A 32 -7.706 4.469 -5.337 1.00 0.00 O ATOM 481 CB THR A 32 -4.449 5.316 -5.563 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.447 6.030 -6.293 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.318 3.830 -5.850 1.00 0.00 C ATOM 0 H THR A 32 -4.932 7.708 -5.783 1.00 0.00 H new ATOM 0 HA THR A 32 -6.112 5.492 -6.954 1.00 0.00 H new ATOM 0 HB THR A 32 -4.317 5.472 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.050 6.716 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.324 3.490 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.069 3.282 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.467 3.651 -6.915 1.00 0.00 H new ATOM 491 N VAL A 33 -6.812 5.735 -3.715 1.00 0.00 N ATOM 492 CA VAL A 33 -7.601 5.096 -2.672 1.00 0.00 C ATOM 493 C VAL A 33 -8.568 6.059 -1.990 1.00 0.00 C ATOM 494 O VAL A 33 -9.477 5.630 -1.289 1.00 0.00 O ATOM 495 CB VAL A 33 -6.695 4.436 -1.612 1.00 0.00 C ATOM 496 CG1 VAL A 33 -5.671 3.533 -2.283 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.002 5.475 -0.742 1.00 0.00 C ATOM 0 H VAL A 33 -6.241 6.521 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.193 4.329 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.327 3.832 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.038 3.074 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.186 2.754 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.054 4.123 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.373 4.973 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.385 6.120 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.751 6.077 -0.227 1.00 0.00 H new ATOM 507 N GLY A 34 -8.379 7.355 -2.169 1.00 0.00 N ATOM 508 CA GLY A 34 -9.312 8.293 -1.581 1.00 0.00 C ATOM 509 C GLY A 34 -8.782 8.949 -0.325 1.00 0.00 C ATOM 510 O GLY A 34 -9.048 10.123 -0.066 1.00 0.00 O ATOM 0 H GLY A 34 -7.613 7.770 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.552 9.064 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.242 7.774 -1.348 1.00 0.00 H new ATOM 514 N TYR A 35 -8.036 8.188 0.457 1.00 0.00 N ATOM 515 CA TYR A 35 -7.478 8.699 1.699 1.00 0.00 C ATOM 516 C TYR A 35 -6.378 9.691 1.400 1.00 0.00 C ATOM 517 O TYR A 35 -5.629 9.533 0.439 1.00 0.00 O ATOM 518 CB TYR A 35 -6.916 7.569 2.564 1.00 0.00 C ATOM 519 CG TYR A 35 -7.941 6.539 2.971 1.00 0.00 C ATOM 520 CD1 TYR A 35 -9.208 6.924 3.383 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.640 5.184 2.954 1.00 0.00 C ATOM 522 CE1 TYR A 35 -10.151 5.992 3.761 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.577 4.241 3.332 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.834 4.655 3.735 1.00 0.00 C ATOM 525 OH TYR A 35 -10.785 3.728 4.105 1.00 0.00 O ATOM 0 H TYR A 35 -7.802 7.216 0.255 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.282 9.189 2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.114 7.072 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.472 7.999 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.461 7.974 3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.658 4.862 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -11.134 6.311 4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.330 3.190 3.313 1.00 0.00 H new ATOM 0 HH TYR A 35 -11.678 4.073 3.894 1.00 0.00 H new ATOM 535 N GLN A 36 -6.293 10.716 2.220 1.00 0.00 N ATOM 536 CA GLN A 36 -5.217 11.676 2.100 1.00 0.00 C ATOM 537 C GLN A 36 -3.958 11.024 2.637 1.00 0.00 C ATOM 538 O GLN A 36 -4.054 10.199 3.546 1.00 0.00 O ATOM 539 CB GLN A 36 -5.505 12.958 2.895 1.00 0.00 C ATOM 540 CG GLN A 36 -6.869 13.590 2.640 1.00 0.00 C ATOM 541 CD GLN A 36 -7.079 14.008 1.200 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.666 15.094 0.797 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.760 13.176 0.429 1.00 0.00 N ATOM 0 H GLN A 36 -6.953 10.906 2.974 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.107 11.960 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.420 12.733 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.734 13.692 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.648 12.881 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.983 14.462 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.085 12.284 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.960 13.426 -0.539 1.00 0.00 H new ATOM 552 N PRO A 37 -2.781 11.346 2.087 1.00 0.00 N ATOM 553 CA PRO A 37 -1.526 10.755 2.553 1.00 0.00 C ATOM 554 C PRO A 37 -1.422 10.828 4.070 1.00 0.00 C ATOM 555 O PRO A 37 -1.200 9.827 4.750 1.00 0.00 O ATOM 556 CB PRO A 37 -0.464 11.640 1.901 1.00 0.00 C ATOM 557 CG PRO A 37 -1.113 12.175 0.674 1.00 0.00 C ATOM 558 CD PRO A 37 -2.578 12.304 0.987 1.00 0.00 C ATOM 0 HA PRO A 37 -1.429 9.700 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.156 12.445 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.431 11.068 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.688 13.141 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.955 11.506 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.836 13.320 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.196 12.060 0.123 1.00 0.00 H new ATOM 566 N GLN A 38 -1.637 12.033 4.571 1.00 0.00 N ATOM 567 CA GLN A 38 -1.686 12.319 5.988 1.00 0.00 C ATOM 568 C GLN A 38 -2.679 11.421 6.724 1.00 0.00 C ATOM 569 O GLN A 38 -2.344 10.842 7.757 1.00 0.00 O ATOM 570 CB GLN A 38 -2.045 13.794 6.170 1.00 0.00 C ATOM 571 CG GLN A 38 -0.937 14.722 5.703 1.00 0.00 C ATOM 572 CD GLN A 38 -0.791 14.783 4.191 1.00 0.00 C ATOM 573 OE1 GLN A 38 -1.768 14.675 3.450 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.443 14.925 3.730 1.00 0.00 N ATOM 0 H GLN A 38 -1.785 12.856 3.987 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.708 12.113 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.957 14.014 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.257 13.986 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.131 15.725 6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.007 14.394 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.224 15.011 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.612 14.948 2.724 1.00 0.00 H new ATOM 583 N GLU A 39 -3.881 11.277 6.171 1.00 0.00 N ATOM 584 CA GLU A 39 -4.930 10.482 6.807 1.00 0.00 C ATOM 585 C GLU A 39 -4.497 9.031 6.948 1.00 0.00 C ATOM 586 O GLU A 39 -4.888 8.342 7.889 1.00 0.00 O ATOM 587 CB GLU A 39 -6.232 10.557 6.003 1.00 0.00 C ATOM 588 CG GLU A 39 -6.867 11.935 6.000 1.00 0.00 C ATOM 589 CD GLU A 39 -7.364 12.348 7.369 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.473 11.928 7.749 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.653 13.100 8.065 1.00 0.00 O ATOM 0 H GLU A 39 -4.153 11.700 5.284 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.105 10.896 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.032 10.256 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.943 9.839 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.140 12.666 5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.699 11.946 5.296 1.00 0.00 H new ATOM 598 N LEU A 40 -3.675 8.583 6.015 1.00 0.00 N ATOM 599 CA LEU A 40 -3.213 7.206 5.990 1.00 0.00 C ATOM 600 C LEU A 40 -2.013 7.020 6.925 1.00 0.00 C ATOM 601 O LEU A 40 -1.794 5.932 7.462 1.00 0.00 O ATOM 602 CB LEU A 40 -2.845 6.830 4.550 1.00 0.00 C ATOM 603 CG LEU A 40 -2.663 5.339 4.274 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.922 4.573 4.648 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.321 5.118 2.806 1.00 0.00 C ATOM 0 H LEU A 40 -3.311 9.160 5.257 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.009 6.550 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.622 7.210 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.921 7.344 4.286 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.841 4.966 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.776 3.512 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.132 4.714 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.761 4.943 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.193 4.052 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.129 5.502 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.396 5.642 2.565 1.00 0.00 H new ATOM 617 N LEU A 41 -1.244 8.091 7.111 1.00 0.00 N ATOM 618 CA LEU A 41 -0.053 8.054 7.960 1.00 0.00 C ATOM 619 C LEU A 41 -0.392 7.641 9.388 1.00 0.00 C ATOM 620 O LEU A 41 -1.173 8.305 10.074 1.00 0.00 O ATOM 621 CB LEU A 41 0.646 9.416 7.969 1.00 0.00 C ATOM 622 CG LEU A 41 1.128 9.917 6.607 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.858 11.244 6.747 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.020 8.880 5.942 1.00 0.00 C ATOM 0 H LEU A 41 -1.425 8.999 6.683 1.00 0.00 H new ATOM 0 HA LEU A 41 0.620 7.307 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.039 10.154 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.503 9.361 8.640 1.00 0.00 H new ATOM 0 HG LEU A 41 0.255 10.076 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.192 11.581 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.185 11.986 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.721 11.117 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.353 9.254 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.887 8.686 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.460 7.956 5.801 1.00 0.00 H new ATOM 636 N GLY A 42 0.197 6.542 9.829 1.00 0.00 N ATOM 637 CA GLY A 42 -0.039 6.059 11.176 1.00 0.00 C ATOM 638 C GLY A 42 -0.992 4.885 11.199 1.00 0.00 C ATOM 639 O GLY A 42 -1.133 4.202 12.217 1.00 0.00 O ATOM 0 H GLY A 42 0.838 5.972 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.909 5.765 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.445 6.867 11.785 1.00 0.00 H new ATOM 643 N LYS A 43 -1.651 4.646 10.075 1.00 0.00 N ATOM 644 CA LYS A 43 -2.571 3.532 9.946 1.00 0.00 C ATOM 645 C LYS A 43 -1.927 2.398 9.161 1.00 0.00 C ATOM 646 O LYS A 43 -0.974 2.611 8.409 1.00 0.00 O ATOM 647 CB LYS A 43 -3.849 3.989 9.248 1.00 0.00 C ATOM 648 CG LYS A 43 -4.661 5.005 10.041 1.00 0.00 C ATOM 649 CD LYS A 43 -5.579 4.338 11.060 1.00 0.00 C ATOM 650 CE LYS A 43 -4.806 3.678 12.196 1.00 0.00 C ATOM 651 NZ LYS A 43 -4.114 4.672 13.061 1.00 0.00 N ATOM 0 H LYS A 43 -1.562 5.216 9.234 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.819 3.168 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.588 4.422 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.473 3.118 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.984 5.687 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.258 5.606 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.260 5.082 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.191 3.589 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.491 3.086 12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.072 2.988 11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.089 4.627 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.460 5.627 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.308 4.458 14.060 1.00 0.00 H new ATOM 665 N ASN A 44 -2.443 1.197 9.356 1.00 0.00 N ATOM 666 CA ASN A 44 -1.951 0.028 8.651 1.00 0.00 C ATOM 667 C ASN A 44 -2.758 -0.179 7.381 1.00 0.00 C ATOM 668 O ASN A 44 -3.960 0.077 7.348 1.00 0.00 O ATOM 669 CB ASN A 44 -2.074 -1.213 9.543 1.00 0.00 C ATOM 670 CG ASN A 44 -1.112 -2.314 9.148 1.00 0.00 C ATOM 671 OD1 ASN A 44 -0.844 -2.531 7.968 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.572 -3.008 10.137 1.00 0.00 N ATOM 0 H ASN A 44 -3.209 1.006 10.002 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.903 0.182 8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.890 -0.930 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.095 -1.592 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.093 -3.754 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.821 -2.797 11.103 1.00 0.00 H new ATOM 679 N ILE A 45 -2.086 -0.649 6.343 1.00 0.00 N ATOM 680 CA ILE A 45 -2.732 -0.967 5.077 1.00 0.00 C ATOM 681 C ILE A 45 -3.751 -2.092 5.264 1.00 0.00 C ATOM 682 O ILE A 45 -4.722 -2.189 4.519 1.00 0.00 O ATOM 683 CB ILE A 45 -1.678 -1.372 4.016 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.339 -1.672 2.666 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.866 -2.568 4.496 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.348 -1.980 1.563 1.00 0.00 C ATOM 0 H ILE A 45 -1.081 -0.821 6.352 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.255 -0.077 4.726 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.001 -0.529 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.016 -2.518 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.946 -0.817 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.131 -2.837 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.353 -2.311 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.532 -3.413 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.886 -2.182 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.686 -1.126 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.757 -2.854 1.838 1.00 0.00 H new ATOM 698 N VAL A 46 -3.534 -2.923 6.281 1.00 0.00 N ATOM 699 CA VAL A 46 -4.440 -4.024 6.571 1.00 0.00 C ATOM 700 C VAL A 46 -5.732 -3.509 7.211 1.00 0.00 C ATOM 701 O VAL A 46 -6.775 -4.154 7.124 1.00 0.00 O ATOM 702 CB VAL A 46 -3.775 -5.077 7.488 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.700 -4.598 8.931 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.503 -6.410 7.395 1.00 0.00 C ATOM 0 H VAL A 46 -2.739 -2.852 6.916 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.684 -4.505 5.624 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.752 -5.219 7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.227 -5.365 9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.113 -3.681 8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.706 -4.405 9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.018 -7.136 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.540 -6.280 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.473 -6.770 6.367 1.00 0.00 H new ATOM 714 N GLU A 47 -5.658 -2.326 7.824 1.00 0.00 N ATOM 715 CA GLU A 47 -6.829 -1.696 8.432 1.00 0.00 C ATOM 716 C GLU A 47 -7.859 -1.377 7.362 1.00 0.00 C ATOM 717 O GLU A 47 -9.065 -1.483 7.581 1.00 0.00 O ATOM 718 CB GLU A 47 -6.439 -0.400 9.146 1.00 0.00 C ATOM 719 CG GLU A 47 -5.528 -0.596 10.344 1.00 0.00 C ATOM 720 CD GLU A 47 -6.228 -1.239 11.519 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.228 -0.670 12.001 1.00 0.00 O ATOM 722 OE2 GLU A 47 -5.766 -2.301 11.982 1.00 0.00 O ATOM 0 H GLU A 47 -4.798 -1.785 7.912 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.249 -2.392 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.945 0.259 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.346 0.108 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.679 -1.214 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.128 0.370 10.651 1.00 0.00 H new ATOM 729 N PHE A 48 -7.364 -0.989 6.197 1.00 0.00 N ATOM 730 CA PHE A 48 -8.220 -0.595 5.095 1.00 0.00 C ATOM 731 C PHE A 48 -8.145 -1.619 3.975 1.00 0.00 C ATOM 732 O PHE A 48 -8.495 -1.333 2.834 1.00 0.00 O ATOM 733 CB PHE A 48 -7.805 0.781 4.580 1.00 0.00 C ATOM 734 CG PHE A 48 -7.696 1.812 5.663 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.822 2.258 6.329 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.463 2.330 6.020 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.724 3.202 7.330 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.358 3.274 7.020 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.491 3.711 7.677 1.00 0.00 C ATOM 0 H PHE A 48 -6.366 -0.939 5.992 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.249 -0.545 5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.845 0.696 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.530 1.118 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.791 1.862 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.573 1.991 5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.612 3.542 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.390 3.671 7.289 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.411 4.450 8.461 1.00 0.00 H new ATOM 749 N CYS A 49 -7.669 -2.805 4.302 1.00 0.00 N ATOM 750 CA CYS A 49 -7.611 -3.888 3.335 1.00 0.00 C ATOM 751 C CYS A 49 -8.904 -4.691 3.349 1.00 0.00 C ATOM 752 O CYS A 49 -9.465 -4.953 4.412 1.00 0.00 O ATOM 753 CB CYS A 49 -6.432 -4.811 3.640 1.00 0.00 C ATOM 754 SG CYS A 49 -6.347 -6.269 2.578 1.00 0.00 S ATOM 0 H CYS A 49 -7.317 -3.045 5.229 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.478 -3.451 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.506 -4.246 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.496 -5.134 4.679 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.478 -6.908 2.627 1.00 0.00 H new ATOM 760 N HIS A 50 -9.378 -5.046 2.154 1.00 0.00 N ATOM 761 CA HIS A 50 -10.517 -5.947 2.000 1.00 0.00 C ATOM 762 C HIS A 50 -10.319 -7.182 2.869 1.00 0.00 C ATOM 763 O HIS A 50 -9.307 -7.867 2.754 1.00 0.00 O ATOM 764 CB HIS A 50 -10.682 -6.325 0.516 1.00 0.00 C ATOM 765 CG HIS A 50 -11.696 -7.401 0.234 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.029 -7.311 0.577 1.00 0.00 N ATOM 767 CD2 HIS A 50 -11.556 -8.603 -0.372 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.654 -8.410 0.196 1.00 0.00 C ATOM 769 NE2 HIS A 50 -12.784 -9.206 -0.384 1.00 0.00 N ATOM 0 H HIS A 50 -8.985 -4.719 1.272 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.429 -5.448 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.962 -5.431 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.715 -6.650 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.641 -9.012 -0.773 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.704 -8.620 0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.991 -10.124 -0.779 1.00 0.00 H new ATOM 778 N PRO A 51 -11.290 -7.454 3.761 1.00 0.00 N ATOM 779 CA PRO A 51 -11.199 -8.506 4.785 1.00 0.00 C ATOM 780 C PRO A 51 -10.764 -9.869 4.254 1.00 0.00 C ATOM 781 O PRO A 51 -10.172 -10.658 4.987 1.00 0.00 O ATOM 782 CB PRO A 51 -12.622 -8.597 5.357 1.00 0.00 C ATOM 783 CG PRO A 51 -13.472 -7.760 4.458 1.00 0.00 C ATOM 784 CD PRO A 51 -12.561 -6.731 3.865 1.00 0.00 C ATOM 0 HA PRO A 51 -10.433 -8.248 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.971 -9.629 5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.656 -8.229 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.932 -8.368 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.282 -7.289 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.914 -6.389 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.476 -5.850 4.501 1.00 0.00 H new ATOM 792 N GLU A 52 -11.040 -10.149 2.988 1.00 0.00 N ATOM 793 CA GLU A 52 -10.680 -11.436 2.410 1.00 0.00 C ATOM 794 C GLU A 52 -9.267 -11.423 1.826 1.00 0.00 C ATOM 795 O GLU A 52 -8.750 -12.463 1.424 1.00 0.00 O ATOM 796 CB GLU A 52 -11.683 -11.846 1.339 1.00 0.00 C ATOM 797 CG GLU A 52 -13.078 -12.096 1.876 1.00 0.00 C ATOM 798 CD GLU A 52 -13.088 -13.090 3.018 1.00 0.00 C ATOM 799 OE1 GLU A 52 -12.817 -14.286 2.780 1.00 0.00 O ATOM 800 OE2 GLU A 52 -13.359 -12.678 4.164 1.00 0.00 O ATOM 0 H GLU A 52 -11.508 -9.509 2.346 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.702 -12.168 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.730 -11.066 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.326 -12.750 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.508 -11.153 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.713 -12.465 1.071 1.00 0.00 H new ATOM 807 N ASP A 53 -8.635 -10.254 1.801 1.00 0.00 N ATOM 808 CA ASP A 53 -7.302 -10.121 1.218 1.00 0.00 C ATOM 809 C ASP A 53 -6.291 -9.765 2.299 1.00 0.00 C ATOM 810 O ASP A 53 -5.100 -9.635 2.028 1.00 0.00 O ATOM 811 CB ASP A 53 -7.263 -9.030 0.137 1.00 0.00 C ATOM 812 CG ASP A 53 -8.268 -9.228 -0.978 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.472 -10.375 -1.421 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.859 -8.221 -1.422 1.00 0.00 O ATOM 0 H ASP A 53 -9.021 -9.388 2.176 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.052 -11.079 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.443 -8.063 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.262 -8.995 -0.293 1.00 0.00 H new ATOM 819 N GLN A 54 -6.771 -9.613 3.529 1.00 0.00 N ATOM 820 CA GLN A 54 -5.919 -9.174 4.629 1.00 0.00 C ATOM 821 C GLN A 54 -4.856 -10.230 4.937 1.00 0.00 C ATOM 822 O GLN A 54 -3.701 -9.903 5.210 1.00 0.00 O ATOM 823 CB GLN A 54 -6.760 -8.863 5.874 1.00 0.00 C ATOM 824 CG GLN A 54 -7.843 -7.811 5.635 1.00 0.00 C ATOM 825 CD GLN A 54 -8.623 -7.457 6.872 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.777 -8.264 7.789 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.148 -6.246 6.893 1.00 0.00 N ATOM 0 H GLN A 54 -7.742 -9.787 3.789 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.411 -8.258 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.229 -9.782 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.101 -8.519 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.379 -6.908 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.532 -8.177 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.994 -5.610 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.707 -5.946 7.692 1.00 0.00 H new ATOM 836 N GLN A 55 -5.249 -11.498 4.871 1.00 0.00 N ATOM 837 CA GLN A 55 -4.311 -12.600 5.042 1.00 0.00 C ATOM 838 C GLN A 55 -3.426 -12.719 3.804 1.00 0.00 C ATOM 839 O GLN A 55 -2.249 -13.072 3.896 1.00 0.00 O ATOM 840 CB GLN A 55 -5.074 -13.907 5.298 1.00 0.00 C ATOM 841 CG GLN A 55 -4.214 -15.056 5.818 1.00 0.00 C ATOM 842 CD GLN A 55 -3.393 -15.736 4.737 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.804 -15.812 3.578 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.225 -16.235 5.107 1.00 0.00 N ATOM 0 H GLN A 55 -6.212 -11.787 4.700 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.675 -12.404 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.870 -13.712 6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.552 -14.220 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.543 -14.677 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.859 -15.796 6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.919 -16.152 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.630 -16.702 4.423 1.00 0.00 H new ATOM 853 N LEU A 56 -4.001 -12.410 2.647 1.00 0.00 N ATOM 854 CA LEU A 56 -3.259 -12.415 1.390 1.00 0.00 C ATOM 855 C LEU A 56 -2.104 -11.421 1.459 1.00 0.00 C ATOM 856 O LEU A 56 -0.990 -11.710 1.012 1.00 0.00 O ATOM 857 CB LEU A 56 -4.196 -12.072 0.225 1.00 0.00 C ATOM 858 CG LEU A 56 -3.534 -11.953 -1.148 1.00 0.00 C ATOM 859 CD1 LEU A 56 -2.860 -13.259 -1.547 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.560 -11.540 -2.192 1.00 0.00 C ATOM 0 H LEU A 56 -4.983 -12.152 2.553 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.849 -13.411 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.970 -12.837 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.695 -11.129 0.450 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.764 -11.184 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.398 -13.145 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.096 -13.513 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.604 -14.055 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.076 -11.459 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.351 -12.289 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.989 -10.576 -1.919 1.00 0.00 H new ATOM 872 N LEU A 57 -2.374 -10.255 2.035 1.00 0.00 N ATOM 873 CA LEU A 57 -1.340 -9.256 2.251 1.00 0.00 C ATOM 874 C LEU A 57 -0.284 -9.771 3.218 1.00 0.00 C ATOM 875 O LEU A 57 0.903 -9.552 3.006 1.00 0.00 O ATOM 876 CB LEU A 57 -1.930 -7.943 2.765 1.00 0.00 C ATOM 877 CG LEU A 57 -2.652 -7.093 1.715 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.076 -5.766 2.319 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.759 -6.866 0.506 1.00 0.00 C ATOM 0 H LEU A 57 -3.301 -9.980 2.360 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.868 -9.061 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.630 -8.169 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.126 -7.348 3.200 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.543 -7.628 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.588 -5.170 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.749 -5.946 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.195 -5.228 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.289 -6.260 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.851 -6.348 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.496 -7.826 0.063 1.00 0.00 H new ATOM 891 N ARG A 58 -0.719 -10.472 4.266 1.00 0.00 N ATOM 892 CA ARG A 58 0.208 -11.092 5.216 1.00 0.00 C ATOM 893 C ARG A 58 1.244 -11.919 4.483 1.00 0.00 C ATOM 894 O ARG A 58 2.443 -11.649 4.550 1.00 0.00 O ATOM 895 CB ARG A 58 -0.523 -12.033 6.170 1.00 0.00 C ATOM 896 CG ARG A 58 -1.212 -11.369 7.341 1.00 0.00 C ATOM 897 CD ARG A 58 -1.785 -12.431 8.264 1.00 0.00 C ATOM 898 NE ARG A 58 -2.338 -11.873 9.492 1.00 0.00 N ATOM 899 CZ ARG A 58 -2.018 -12.310 10.709 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.118 -13.277 10.862 1.00 0.00 N ATOM 901 NH2 ARG A 58 -2.597 -11.781 11.776 1.00 0.00 N ATOM 0 H ARG A 58 -1.705 -10.625 4.479 1.00 0.00 H new ATOM 0 HA ARG A 58 0.677 -10.281 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.267 -12.591 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.193 -12.758 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.505 -10.743 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.008 -10.715 6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.564 -12.982 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.003 -13.148 8.516 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.006 -11.106 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.668 -13.689 10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.878 -13.607 11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.288 -11.039 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.352 -12.116 12.708 1.00 0.00 H new ATOM 915 N ASP A 59 0.744 -12.922 3.778 1.00 0.00 N ATOM 916 CA ASP A 59 1.575 -13.903 3.100 1.00 0.00 C ATOM 917 C ASP A 59 2.509 -13.235 2.103 1.00 0.00 C ATOM 918 O ASP A 59 3.682 -13.566 2.014 1.00 0.00 O ATOM 919 CB ASP A 59 0.670 -14.909 2.387 1.00 0.00 C ATOM 920 CG ASP A 59 1.393 -16.165 1.945 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.485 -16.458 2.485 1.00 0.00 O ATOM 922 OD2 ASP A 59 0.855 -16.880 1.071 1.00 0.00 O ATOM 0 H ASP A 59 -0.257 -13.079 3.660 1.00 0.00 H new ATOM 0 HA ASP A 59 2.193 -14.416 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.148 -15.185 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.224 -14.430 1.515 1.00 0.00 H new ATOM 927 N SER A 60 1.992 -12.258 1.388 1.00 0.00 N ATOM 928 CA SER A 60 2.750 -11.613 0.334 1.00 0.00 C ATOM 929 C SER A 60 3.797 -10.652 0.902 1.00 0.00 C ATOM 930 O SER A 60 4.915 -10.564 0.390 1.00 0.00 O ATOM 931 CB SER A 60 1.790 -10.889 -0.600 1.00 0.00 C ATOM 932 OG SER A 60 0.848 -11.795 -1.155 1.00 0.00 O ATOM 0 H SER A 60 1.049 -11.892 1.517 1.00 0.00 H new ATOM 0 HA SER A 60 3.293 -12.374 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.268 -10.103 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.350 -10.404 -1.400 1.00 0.00 H new ATOM 0 HG SER A 60 0.100 -11.911 -0.533 1.00 0.00 H new ATOM 938 N PHE A 61 3.452 -9.961 1.982 1.00 0.00 N ATOM 939 CA PHE A 61 4.364 -9.001 2.588 1.00 0.00 C ATOM 940 C PHE A 61 5.498 -9.719 3.293 1.00 0.00 C ATOM 941 O PHE A 61 6.640 -9.264 3.278 1.00 0.00 O ATOM 942 CB PHE A 61 3.635 -8.089 3.576 1.00 0.00 C ATOM 943 CG PHE A 61 2.783 -7.025 2.930 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.006 -6.634 1.618 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.761 -6.417 3.640 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.226 -5.659 1.028 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.978 -5.440 3.055 1.00 0.00 C ATOM 948 CZ PHE A 61 1.210 -5.061 1.747 1.00 0.00 C ATOM 0 H PHE A 61 2.552 -10.047 2.454 1.00 0.00 H new ATOM 0 HA PHE A 61 4.773 -8.383 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.004 -8.702 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.372 -7.607 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.799 -7.098 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.574 -6.710 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.410 -5.365 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.185 -4.973 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.598 -4.299 1.288 1.00 0.00 H new ATOM 958 N GLN A 62 5.192 -10.848 3.901 1.00 0.00 N ATOM 959 CA GLN A 62 6.212 -11.619 4.578 1.00 0.00 C ATOM 960 C GLN A 62 7.144 -12.264 3.557 1.00 0.00 C ATOM 961 O GLN A 62 8.320 -12.483 3.830 1.00 0.00 O ATOM 962 CB GLN A 62 5.581 -12.665 5.502 1.00 0.00 C ATOM 963 CG GLN A 62 4.734 -13.704 4.794 1.00 0.00 C ATOM 964 CD GLN A 62 4.158 -14.731 5.747 1.00 0.00 C ATOM 965 OE1 GLN A 62 3.934 -14.451 6.926 1.00 0.00 O ATOM 966 NE2 GLN A 62 3.886 -15.919 5.239 1.00 0.00 N ATOM 0 H GLN A 62 4.254 -11.248 3.940 1.00 0.00 H new ATOM 0 HA GLN A 62 6.804 -10.949 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.375 -13.174 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.963 -12.153 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.920 -13.206 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.339 -14.210 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.086 -16.112 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.476 -16.644 5.828 1.00 0.00 H new ATOM 975 N GLN A 63 6.621 -12.531 2.363 1.00 0.00 N ATOM 976 CA GLN A 63 7.423 -13.103 1.290 1.00 0.00 C ATOM 977 C GLN A 63 8.423 -12.101 0.733 1.00 0.00 C ATOM 978 O GLN A 63 9.517 -12.485 0.328 1.00 0.00 O ATOM 979 CB GLN A 63 6.533 -13.630 0.174 1.00 0.00 C ATOM 980 CG GLN A 63 5.808 -14.902 0.557 1.00 0.00 C ATOM 981 CD GLN A 63 4.821 -15.362 -0.490 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.015 -15.161 -1.691 1.00 0.00 O ATOM 983 NE2 GLN A 63 3.736 -15.956 -0.034 1.00 0.00 N ATOM 0 H GLN A 63 5.646 -12.360 2.116 1.00 0.00 H new ATOM 0 HA GLN A 63 7.986 -13.933 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.802 -12.867 -0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.140 -13.815 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.539 -15.692 0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.282 -14.743 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.617 -16.102 0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.015 -16.270 -0.684 1.00 0.00 H new ATOM 992 N VAL A 64 8.068 -10.821 0.705 1.00 0.00 N ATOM 993 CA VAL A 64 9.022 -9.810 0.260 1.00 0.00 C ATOM 994 C VAL A 64 10.081 -9.580 1.338 1.00 0.00 C ATOM 995 O VAL A 64 11.208 -9.176 1.044 1.00 0.00 O ATOM 996 CB VAL A 64 8.358 -8.468 -0.144 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.786 -7.729 1.052 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.357 -7.593 -0.884 1.00 0.00 C ATOM 0 H VAL A 64 7.152 -10.464 0.977 1.00 0.00 H new ATOM 0 HA VAL A 64 9.491 -10.200 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 64 7.524 -8.700 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.332 -6.796 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.030 -8.349 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.585 -7.511 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.881 -6.653 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.211 -7.389 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.697 -8.108 -1.782 1.00 0.00 H new ATOM 1008 N VAL A 65 9.717 -9.861 2.587 1.00 0.00 N ATOM 1009 CA VAL A 65 10.685 -9.865 3.678 1.00 0.00 C ATOM 1010 C VAL A 65 11.595 -11.085 3.544 1.00 0.00 C ATOM 1011 O VAL A 65 12.748 -11.071 3.962 1.00 0.00 O ATOM 1012 CB VAL A 65 9.990 -9.879 5.061 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.012 -9.894 6.191 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.060 -8.684 5.206 1.00 0.00 C ATOM 0 H VAL A 65 8.763 -10.088 2.867 1.00 0.00 H new ATOM 0 HA VAL A 65 11.273 -8.950 3.612 1.00 0.00 H new ATOM 0 HB VAL A 65 9.398 -10.792 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.494 -9.904 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.635 -10.784 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.639 -9.005 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.581 -8.712 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.634 -7.762 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.297 -8.720 4.428 1.00 0.00 H new ATOM 1024 N LYS A 66 11.058 -12.136 2.939 1.00 0.00 N ATOM 1025 CA LYS A 66 11.821 -13.346 2.669 1.00 0.00 C ATOM 1026 C LYS A 66 12.729 -13.161 1.452 1.00 0.00 C ATOM 1027 O LYS A 66 13.860 -13.645 1.430 1.00 0.00 O ATOM 1028 CB LYS A 66 10.873 -14.531 2.452 1.00 0.00 C ATOM 1029 CG LYS A 66 10.139 -14.966 3.713 1.00 0.00 C ATOM 1030 CD LYS A 66 9.124 -16.062 3.422 1.00 0.00 C ATOM 1031 CE LYS A 66 9.786 -17.298 2.833 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.798 -17.885 3.751 1.00 0.00 N ATOM 0 H LYS A 66 10.089 -12.174 2.624 1.00 0.00 H new ATOM 0 HA LYS A 66 12.452 -13.552 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.141 -14.264 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.443 -15.375 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.859 -15.323 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.632 -14.108 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.604 -16.331 4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.371 -15.687 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.024 -18.045 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.263 -17.037 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.100 -18.812 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.621 -17.252 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.382 -18.002 4.697 1.00 0.00 H new ATOM 1046 N LEU A 67 12.228 -12.457 0.445 1.00 0.00 N ATOM 1047 CA LEU A 67 12.989 -12.207 -0.775 1.00 0.00 C ATOM 1048 C LEU A 67 14.099 -11.189 -0.541 1.00 0.00 C ATOM 1049 O LEU A 67 15.259 -11.452 -0.862 1.00 0.00 O ATOM 1050 CB LEU A 67 12.066 -11.723 -1.896 1.00 0.00 C ATOM 1051 CG LEU A 67 11.115 -12.781 -2.456 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.270 -12.198 -3.575 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.891 -13.993 -2.949 1.00 0.00 C ATOM 0 H LEU A 67 11.294 -12.047 0.448 1.00 0.00 H new ATOM 0 HA LEU A 67 13.448 -13.149 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.475 -10.887 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.680 -11.341 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 67 10.451 -13.103 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.599 -12.965 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.684 -11.363 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.920 -11.847 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.196 -14.734 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.581 -13.688 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.453 -14.427 -2.122 1.00 0.00 H new ATOM 1065 N LYS A 68 13.726 -10.035 0.009 1.00 0.00 N ATOM 1066 CA LYS A 68 14.675 -8.965 0.333 1.00 0.00 C ATOM 1067 C LYS A 68 15.411 -8.455 -0.901 1.00 0.00 C ATOM 1068 O LYS A 68 16.484 -8.949 -1.256 1.00 0.00 O ATOM 1069 CB LYS A 68 15.678 -9.431 1.387 1.00 0.00 C ATOM 1070 CG LYS A 68 15.060 -9.582 2.757 1.00 0.00 C ATOM 1071 CD LYS A 68 16.061 -10.084 3.776 1.00 0.00 C ATOM 1072 CE LYS A 68 15.488 -9.995 5.175 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.473 -10.406 6.209 1.00 0.00 N ATOM 0 H LYS A 68 12.759 -9.813 0.244 1.00 0.00 H new ATOM 0 HA LYS A 68 14.093 -8.136 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.105 -10.385 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.500 -8.717 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.661 -8.622 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.220 -10.274 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.329 -11.116 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.977 -9.496 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.164 -8.973 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.604 -10.628 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.039 -10.330 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.763 -11.390 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.306 -9.786 6.160 1.00 0.00 H new ATOM 1087 N GLY A 69 14.832 -7.451 -1.538 1.00 0.00 N ATOM 1088 CA GLY A 69 15.440 -6.864 -2.713 1.00 0.00 C ATOM 1089 C GLY A 69 14.651 -7.160 -3.968 1.00 0.00 C ATOM 1090 O GLY A 69 14.746 -6.438 -4.961 1.00 0.00 O ATOM 0 H GLY A 69 13.946 -7.029 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.518 -5.785 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.455 -7.245 -2.825 1.00 0.00 H new ATOM 1094 N GLN A 70 13.855 -8.216 -3.913 1.00 0.00 N ATOM 1095 CA GLN A 70 13.052 -8.625 -5.047 1.00 0.00 C ATOM 1096 C GLN A 70 11.658 -8.020 -4.939 1.00 0.00 C ATOM 1097 O GLN A 70 11.098 -7.937 -3.846 1.00 0.00 O ATOM 1098 CB GLN A 70 12.954 -10.150 -5.087 1.00 0.00 C ATOM 1099 CG GLN A 70 12.319 -10.685 -6.353 1.00 0.00 C ATOM 1100 CD GLN A 70 13.204 -10.511 -7.573 1.00 0.00 C ATOM 1101 OE1 GLN A 70 12.714 -10.332 -8.689 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.514 -10.576 -7.377 1.00 0.00 N ATOM 0 H GLN A 70 13.750 -8.807 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 70 13.523 -8.272 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.954 -10.572 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.375 -10.491 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.093 -11.743 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.371 -10.175 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.882 -10.725 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.153 -10.477 -8.166 1.00 0.00 H new ATOM 1111 N VAL A 71 11.113 -7.594 -6.067 1.00 0.00 N ATOM 1112 CA VAL A 71 9.781 -7.012 -6.093 1.00 0.00 C ATOM 1113 C VAL A 71 8.708 -8.100 -6.003 1.00 0.00 C ATOM 1114 O VAL A 71 8.690 -9.048 -6.789 1.00 0.00 O ATOM 1115 CB VAL A 71 9.571 -6.142 -7.361 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.830 -6.940 -8.633 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.174 -5.536 -7.372 1.00 0.00 C ATOM 0 H VAL A 71 11.572 -7.640 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 71 9.687 -6.364 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 71 10.296 -5.329 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.674 -6.301 -9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.857 -7.305 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.144 -7.786 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.047 -4.930 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.431 -6.334 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.042 -4.910 -6.490 1.00 0.00 H new ATOM 1127 N LEU A 72 7.833 -7.965 -5.016 1.00 0.00 N ATOM 1128 CA LEU A 72 6.755 -8.920 -4.798 1.00 0.00 C ATOM 1129 C LEU A 72 5.428 -8.257 -5.159 1.00 0.00 C ATOM 1130 O LEU A 72 5.053 -7.254 -4.560 1.00 0.00 O ATOM 1131 CB LEU A 72 6.750 -9.357 -3.324 1.00 0.00 C ATOM 1132 CG LEU A 72 6.154 -10.739 -3.016 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.670 -10.802 -3.349 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.916 -11.819 -3.762 1.00 0.00 C ATOM 0 H LEU A 72 7.850 -7.195 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 72 6.900 -9.801 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.778 -9.341 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.198 -8.613 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 72 6.254 -10.912 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.287 -11.796 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.133 -10.059 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.526 -10.596 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.483 -12.793 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.852 -11.635 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.961 -11.806 -3.454 1.00 0.00 H new ATOM 1146 N SER A 73 4.721 -8.802 -6.135 1.00 0.00 N ATOM 1147 CA SER A 73 3.472 -8.203 -6.573 1.00 0.00 C ATOM 1148 C SER A 73 2.285 -8.864 -5.885 1.00 0.00 C ATOM 1149 O SER A 73 2.071 -10.072 -6.006 1.00 0.00 O ATOM 1150 CB SER A 73 3.346 -8.312 -8.096 1.00 0.00 C ATOM 1151 OG SER A 73 3.637 -9.627 -8.545 1.00 0.00 O ATOM 0 H SER A 73 4.987 -9.650 -6.635 1.00 0.00 H new ATOM 0 HA SER A 73 3.474 -7.149 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.336 -8.037 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.026 -7.605 -8.571 1.00 0.00 H new ATOM 0 HG SER A 73 3.204 -10.278 -7.954 1.00 0.00 H new ATOM 1157 N VAL A 74 1.512 -8.067 -5.166 1.00 0.00 N ATOM 1158 CA VAL A 74 0.328 -8.564 -4.484 1.00 0.00 C ATOM 1159 C VAL A 74 -0.892 -7.784 -4.906 1.00 0.00 C ATOM 1160 O VAL A 74 -0.893 -6.555 -4.944 1.00 0.00 O ATOM 1161 CB VAL A 74 0.491 -8.525 -2.945 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.850 -7.126 -2.462 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.773 -9.019 -2.253 1.00 0.00 C ATOM 0 H VAL A 74 1.684 -7.070 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 74 0.197 -9.607 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 74 1.312 -9.193 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.957 -7.132 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.789 -6.814 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.060 -6.430 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.634 -8.982 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.613 -8.383 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.977 -10.045 -2.558 1.00 0.00 H new ATOM 1173 N MET A 75 -1.923 -8.520 -5.243 1.00 0.00 N ATOM 1174 CA MET A 75 -3.139 -7.930 -5.730 1.00 0.00 C ATOM 1175 C MET A 75 -4.227 -8.041 -4.669 1.00 0.00 C ATOM 1176 O MET A 75 -4.575 -9.138 -4.245 1.00 0.00 O ATOM 1177 CB MET A 75 -3.568 -8.626 -7.015 1.00 0.00 C ATOM 1178 CG MET A 75 -4.510 -7.788 -7.838 1.00 0.00 C ATOM 1179 SD MET A 75 -5.353 -8.734 -9.121 1.00 0.00 S ATOM 1180 CE MET A 75 -6.293 -7.443 -9.936 1.00 0.00 C ATOM 0 H MET A 75 -1.940 -9.538 -5.187 1.00 0.00 H new ATOM 0 HA MET A 75 -2.971 -6.875 -5.945 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.685 -8.863 -7.608 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.050 -9.572 -6.768 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.252 -7.334 -7.181 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.953 -6.973 -8.301 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.242 -7.849 -10.285 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.482 -6.632 -9.233 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.727 -7.062 -10.786 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.750 -6.902 -4.248 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.735 -6.858 -3.173 1.00 0.00 C ATOM 1192 C PHE A 76 -6.683 -5.689 -3.403 1.00 0.00 C ATOM 1193 O PHE A 76 -6.523 -4.938 -4.371 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.034 -6.716 -1.814 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.513 -5.335 -1.530 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.411 -4.838 -2.207 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.127 -4.535 -0.578 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.936 -3.570 -1.941 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.653 -3.267 -0.310 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.558 -2.783 -0.994 1.00 0.00 C ATOM 0 H PHE A 76 -4.509 -5.989 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.305 -7.787 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.733 -6.997 -1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.204 -7.421 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.919 -5.449 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.986 -4.909 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.076 -3.193 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.139 -2.654 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.188 -1.789 -0.789 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.663 -5.528 -2.525 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.583 -4.407 -2.631 1.00 0.00 C ATOM 1212 C ARG A 77 -8.375 -3.432 -1.478 1.00 0.00 C ATOM 1213 O ARG A 77 -8.509 -3.800 -0.309 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.037 -4.874 -2.632 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.356 -5.941 -3.663 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.841 -6.250 -3.681 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.141 -7.477 -4.413 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.292 -7.710 -5.041 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.243 -6.784 -5.056 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -13.499 -8.869 -5.650 1.00 0.00 N ATOM 0 H ARG A 77 -7.840 -6.153 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.374 -3.908 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.282 -5.259 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.682 -4.013 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.038 -5.605 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.794 -6.848 -3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.203 -6.342 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.378 -5.417 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.424 -8.202 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.093 -5.891 -4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.124 -6.965 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.775 -9.587 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.382 -9.043 -6.130 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.052 -2.193 -1.818 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.896 -1.133 -0.826 1.00 0.00 C ATOM 1236 C PHE A 78 -9.260 -0.520 -0.561 1.00 0.00 C ATOM 1237 O PHE A 78 -10.112 -0.497 -1.453 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.955 -0.059 -1.375 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.119 0.678 -0.362 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.621 1.765 0.346 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.799 0.309 -0.163 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.809 2.460 1.229 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -3.992 0.992 0.721 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.495 2.071 1.415 1.00 0.00 C ATOM 0 H PHE A 78 -7.891 -1.893 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.480 -1.538 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.285 -0.528 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.551 0.671 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.648 2.069 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.395 -0.529 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.203 3.306 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.968 0.682 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.863 2.613 2.104 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.487 -0.051 0.649 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.747 0.591 0.955 1.00 0.00 C ATOM 1256 C ARG A 79 -10.707 2.060 0.563 1.00 0.00 C ATOM 1257 O ARG A 79 -10.001 2.859 1.173 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.094 0.453 2.432 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.589 0.544 2.695 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.896 0.438 4.174 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.307 1.537 4.938 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.509 1.742 6.243 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.182 0.856 6.966 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.998 2.819 6.825 1.00 0.00 N ATOM 0 H ARG A 79 -8.827 -0.101 1.425 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.523 0.091 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.722 -0.503 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.582 1.233 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.971 1.489 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.104 -0.252 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.976 0.433 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.519 -0.511 4.555 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.702 2.191 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.549 0.012 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.332 1.019 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.454 3.485 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.149 2.981 7.821 1.00 0.00 H new ATOM 1278 N SER A 80 -11.448 2.385 -0.482 1.00 0.00 N ATOM 1279 CA SER A 80 -11.630 3.756 -0.927 1.00 0.00 C ATOM 1280 C SER A 80 -12.202 4.620 0.198 1.00 0.00 C ATOM 1281 O SER A 80 -12.702 4.108 1.205 1.00 0.00 O ATOM 1282 CB SER A 80 -12.568 3.772 -2.141 1.00 0.00 C ATOM 1283 OG SER A 80 -12.879 5.094 -2.556 1.00 0.00 O ATOM 0 H SER A 80 -11.945 1.699 -1.050 1.00 0.00 H new ATOM 0 HA SER A 80 -10.662 4.170 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.102 3.233 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.489 3.243 -1.895 1.00 0.00 H new ATOM 0 HG SER A 80 -13.195 5.080 -3.484 1.00 0.00 H new ATOM 1289 N LYS A 81 -12.144 5.935 0.007 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.638 6.901 0.986 1.00 0.00 C ATOM 1291 C LYS A 81 -14.153 6.782 1.149 1.00 0.00 C ATOM 1292 O LYS A 81 -14.745 7.379 2.047 1.00 0.00 O ATOM 1293 CB LYS A 81 -12.270 8.317 0.532 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.539 9.397 1.566 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.704 9.188 2.817 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.833 10.355 3.782 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.167 10.407 4.430 1.00 0.00 N ATOM 0 H LYS A 81 -11.753 6.362 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.175 6.693 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.212 8.338 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.828 8.552 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.318 10.375 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.597 9.396 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.016 8.269 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.658 9.060 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.062 10.276 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.655 11.288 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.206 11.219 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.903 10.509 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.328 9.529 4.964 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.766 5.984 0.286 1.00 0.00 N ATOM 1312 CA ASN A 82 -16.204 5.780 0.319 1.00 0.00 C ATOM 1313 C ASN A 82 -16.500 4.432 0.947 1.00 0.00 C ATOM 1314 O ASN A 82 -17.645 3.983 0.974 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.794 5.834 -1.095 1.00 0.00 C ATOM 1316 CG ASN A 82 -16.347 7.057 -1.874 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.968 8.115 -1.802 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.270 6.911 -2.637 1.00 0.00 N ATOM 0 H ASN A 82 -14.285 5.465 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.660 6.574 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.503 4.936 -1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.882 5.828 -1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.929 7.695 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.784 6.015 -2.667 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.434 3.797 1.436 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.510 2.501 2.085 1.00 0.00 C ATOM 1327 C GLN A 83 -15.831 1.459 1.039 1.00 0.00 C ATOM 1328 O GLN A 83 -16.758 0.660 1.160 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.505 2.509 3.254 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.872 2.978 4.559 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.398 4.425 4.544 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -14.385 4.758 5.158 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -16.139 5.303 3.890 1.00 0.00 N ATOM 0 H GLN A 83 -14.488 4.177 1.389 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.549 2.253 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.344 3.159 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.908 1.505 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.595 2.854 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.024 2.333 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.973 4.995 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.876 6.289 3.885 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.011 1.503 0.009 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.201 0.737 -1.188 1.00 0.00 C ATOM 1344 C GLU A 84 -13.990 -0.150 -1.415 1.00 0.00 C ATOM 1345 O GLU A 84 -12.940 0.101 -0.842 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.374 1.732 -2.324 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.416 1.345 -3.327 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.851 0.502 -4.446 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.299 1.091 -5.406 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.933 -0.740 -4.363 1.00 0.00 O ATOM 0 H GLU A 84 -14.176 2.089 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.075 0.089 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.633 2.704 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.419 1.851 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.212 0.794 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.866 2.245 -3.745 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.119 -1.179 -2.234 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.055 -2.147 -2.385 1.00 0.00 C ATOM 1359 C TRP A 85 -12.609 -2.256 -3.842 1.00 0.00 C ATOM 1360 O TRP A 85 -13.156 -3.037 -4.627 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.541 -3.490 -1.852 1.00 0.00 C ATOM 1362 CG TRP A 85 -14.133 -3.376 -0.478 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.462 -3.379 -0.156 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.424 -3.203 0.757 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.617 -3.235 1.201 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.386 -3.126 1.783 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -12.074 -3.113 1.099 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -14.041 -2.966 3.119 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.731 -2.951 2.428 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.711 -2.881 3.423 1.00 0.00 C ATOM 0 H TRP A 85 -14.947 -1.363 -2.801 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.184 -1.824 -1.814 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.286 -3.901 -2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.708 -4.193 -1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -16.271 -3.480 -0.865 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.509 -3.213 1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.310 -3.169 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.796 -2.911 3.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.689 -2.877 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -12.411 -2.757 4.453 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.604 -1.465 -4.187 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.104 -1.393 -5.553 1.00 0.00 C ATOM 1383 C LEU A 86 -9.800 -2.174 -5.714 1.00 0.00 C ATOM 1384 O LEU A 86 -9.098 -2.436 -4.738 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.920 0.074 -5.968 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.720 1.075 -4.817 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.388 0.857 -4.129 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.818 2.504 -5.322 1.00 0.00 C ATOM 0 H LEU A 86 -11.113 -0.857 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.840 -1.855 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.060 0.138 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.793 0.381 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.514 0.905 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.274 1.579 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.350 -0.153 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.581 0.989 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.673 3.194 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.050 2.677 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.801 2.668 -5.763 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.486 -2.535 -6.955 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.334 -3.385 -7.249 1.00 0.00 C ATOM 1402 C TRP A 87 -7.043 -2.595 -7.379 1.00 0.00 C ATOM 1403 O TRP A 87 -6.978 -1.597 -8.099 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.547 -4.155 -8.551 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.464 -5.323 -8.424 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -10.684 -5.467 -9.006 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.226 -6.518 -7.676 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.229 -6.677 -8.657 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.352 -7.341 -7.841 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.171 -6.969 -6.876 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.454 -8.592 -7.242 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.272 -8.212 -6.283 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.406 -9.010 -6.468 1.00 0.00 C ATOM 0 H TRP A 87 -10.016 -2.250 -7.779 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.245 -4.069 -6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.946 -3.474 -9.302 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.581 -4.503 -8.917 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.155 -4.737 -9.648 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.140 -7.025 -8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.294 -6.357 -6.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.328 -9.211 -7.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.462 -8.574 -5.666 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.455 -9.977 -5.990 1.00 0.00 H new ATOM 1424 N MET A 88 -6.016 -3.048 -6.682 1.00 0.00 N ATOM 1425 CA MET A 88 -4.669 -2.550 -6.899 1.00 0.00 C ATOM 1426 C MET A 88 -3.641 -3.645 -6.705 1.00 0.00 C ATOM 1427 O MET A 88 -3.759 -4.475 -5.802 1.00 0.00 O ATOM 1428 CB MET A 88 -4.327 -1.383 -5.974 1.00 0.00 C ATOM 1429 CG MET A 88 -4.859 -1.528 -4.567 1.00 0.00 C ATOM 1430 SD MET A 88 -6.450 -0.725 -4.384 1.00 0.00 S ATOM 1431 CE MET A 88 -5.993 0.954 -4.809 1.00 0.00 C ATOM 0 H MET A 88 -6.090 -3.763 -5.958 1.00 0.00 H new ATOM 0 HA MET A 88 -4.640 -2.197 -7.930 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.243 -1.274 -5.931 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.722 -0.464 -6.406 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.953 -2.585 -4.319 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.149 -1.097 -3.862 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.775 1.638 -4.481 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.055 1.212 -4.317 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.870 1.035 -5.889 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.637 -3.642 -7.563 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.492 -4.509 -7.394 1.00 0.00 C ATOM 1443 C ARG A 89 -0.351 -3.696 -6.805 1.00 0.00 C ATOM 1444 O ARG A 89 0.090 -2.707 -7.393 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.088 -5.153 -8.725 1.00 0.00 C ATOM 1446 CG ARG A 89 0.145 -6.042 -8.642 1.00 0.00 C ATOM 1447 CD ARG A 89 1.414 -5.284 -9.002 1.00 0.00 C ATOM 1448 NE ARG A 89 1.416 -4.876 -10.403 1.00 0.00 N ATOM 1449 CZ ARG A 89 2.405 -4.215 -10.998 1.00 0.00 C ATOM 1450 NH1 ARG A 89 3.473 -3.839 -10.309 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.321 -3.917 -12.286 1.00 0.00 N ATOM 0 H ARG A 89 -2.595 -3.044 -8.388 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.745 -5.322 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.924 -5.745 -9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.905 -4.365 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.236 -6.444 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.026 -6.892 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.506 -4.404 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.282 -5.912 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 89 0.600 -5.115 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.541 -4.056 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.227 -3.332 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.498 -4.194 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.079 -3.410 -12.743 1.00 0.00 H new ATOM 1465 N THR A 90 0.088 -4.092 -5.629 1.00 0.00 N ATOM 1466 CA THR A 90 1.150 -3.397 -4.935 1.00 0.00 C ATOM 1467 C THR A 90 2.494 -4.066 -5.190 1.00 0.00 C ATOM 1468 O THR A 90 2.616 -5.292 -5.105 1.00 0.00 O ATOM 1469 CB THR A 90 0.862 -3.354 -3.424 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.391 -2.700 -3.197 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.963 -2.628 -2.667 1.00 0.00 C ATOM 0 H THR A 90 -0.280 -4.902 -5.129 1.00 0.00 H new ATOM 0 HA THR A 90 1.194 -2.377 -5.318 1.00 0.00 H new ATOM 0 HB THR A 90 0.821 -4.379 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.623 -2.157 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.727 -2.617 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.911 -3.142 -2.823 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.041 -1.604 -3.032 1.00 0.00 H new ATOM 1479 N SER A 91 3.482 -3.257 -5.533 1.00 0.00 N ATOM 1480 CA SER A 91 4.840 -3.732 -5.702 1.00 0.00 C ATOM 1481 C SER A 91 5.582 -3.628 -4.376 1.00 0.00 C ATOM 1482 O SER A 91 5.792 -2.528 -3.858 1.00 0.00 O ATOM 1483 CB SER A 91 5.554 -2.913 -6.776 1.00 0.00 C ATOM 1484 OG SER A 91 4.818 -2.915 -7.989 1.00 0.00 O ATOM 0 H SER A 91 3.364 -2.258 -5.701 1.00 0.00 H new ATOM 0 HA SER A 91 4.821 -4.774 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.687 -1.888 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.549 -3.323 -6.949 1.00 0.00 H new ATOM 0 HG SER A 91 5.293 -2.383 -8.661 1.00 0.00 H new ATOM 1490 N SER A 92 5.964 -4.769 -3.829 1.00 0.00 N ATOM 1491 CA SER A 92 6.603 -4.815 -2.528 1.00 0.00 C ATOM 1492 C SER A 92 8.114 -4.846 -2.677 1.00 0.00 C ATOM 1493 O SER A 92 8.653 -5.621 -3.469 1.00 0.00 O ATOM 1494 CB SER A 92 6.142 -6.051 -1.752 1.00 0.00 C ATOM 1495 OG SER A 92 4.747 -6.257 -1.915 1.00 0.00 O ATOM 0 H SER A 92 5.841 -5.681 -4.270 1.00 0.00 H new ATOM 0 HA SER A 92 6.318 -3.918 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.687 -6.929 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.375 -5.930 -0.694 1.00 0.00 H new ATOM 0 HG SER A 92 4.574 -6.635 -2.802 1.00 0.00 H new ATOM 1501 N PHE A 93 8.783 -3.990 -1.932 1.00 0.00 N ATOM 1502 CA PHE A 93 10.229 -4.006 -1.852 1.00 0.00 C ATOM 1503 C PHE A 93 10.650 -3.799 -0.407 1.00 0.00 C ATOM 1504 O PHE A 93 10.116 -2.936 0.278 1.00 0.00 O ATOM 1505 CB PHE A 93 10.824 -2.912 -2.749 1.00 0.00 C ATOM 1506 CG PHE A 93 12.302 -2.687 -2.554 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.233 -3.465 -3.223 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.755 -1.695 -1.695 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.589 -3.257 -3.039 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.106 -1.483 -1.509 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.026 -2.263 -2.180 1.00 0.00 C ATOM 0 H PHE A 93 8.341 -3.265 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 93 10.602 -4.969 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.643 -3.174 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.298 -1.977 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.897 -4.241 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.041 -1.081 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.306 -3.870 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.443 -0.707 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.084 -2.098 -2.035 1.00 0.00 H new ATOM 1521 N THR A 94 11.588 -4.593 0.062 1.00 0.00 N ATOM 1522 CA THR A 94 12.101 -4.433 1.407 1.00 0.00 C ATOM 1523 C THR A 94 13.368 -3.594 1.386 1.00 0.00 C ATOM 1524 O THR A 94 14.399 -4.012 0.855 1.00 0.00 O ATOM 1525 CB THR A 94 12.364 -5.796 2.059 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.686 -6.762 1.047 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.150 -6.255 2.849 1.00 0.00 C ATOM 0 H THR A 94 12.011 -5.356 -0.467 1.00 0.00 H new ATOM 0 HA THR A 94 11.349 -3.917 2.004 1.00 0.00 H new ATOM 0 HB THR A 94 13.204 -5.699 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.100 -7.542 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.357 -7.224 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.928 -5.528 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.293 -6.343 2.181 1.00 0.00 H new ATOM 1535 N PHE A 95 13.280 -2.396 1.948 1.00 0.00 N ATOM 1536 CA PHE A 95 14.359 -1.436 1.838 1.00 0.00 C ATOM 1537 C PHE A 95 15.466 -1.745 2.831 1.00 0.00 C ATOM 1538 O PHE A 95 15.403 -1.360 4.001 1.00 0.00 O ATOM 1539 CB PHE A 95 13.837 -0.008 2.039 1.00 0.00 C ATOM 1540 CG PHE A 95 14.752 1.062 1.495 1.00 0.00 C ATOM 1541 CD1 PHE A 95 15.949 0.735 0.874 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.405 2.400 1.596 1.00 0.00 C ATOM 1543 CE1 PHE A 95 16.778 1.719 0.369 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.229 3.387 1.091 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.417 3.047 0.477 1.00 0.00 C ATOM 0 H PHE A 95 12.474 -2.071 2.482 1.00 0.00 H new ATOM 0 HA PHE A 95 14.775 -1.512 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.863 0.083 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.685 0.166 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.237 -0.302 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.477 2.675 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 95 17.708 1.449 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.943 4.425 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.062 3.818 0.082 1.00 0.00 H new ATOM 1555 N GLN A 96 16.466 -2.469 2.358 1.00 0.00 N ATOM 1556 CA GLN A 96 17.672 -2.684 3.127 1.00 0.00 C ATOM 1557 C GLN A 96 18.661 -1.573 2.826 1.00 0.00 C ATOM 1558 O GLN A 96 18.994 -1.338 1.663 1.00 0.00 O ATOM 1559 CB GLN A 96 18.306 -4.035 2.801 1.00 0.00 C ATOM 1560 CG GLN A 96 17.419 -5.223 3.117 1.00 0.00 C ATOM 1561 CD GLN A 96 18.152 -6.550 3.025 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.821 -7.497 3.730 1.00 0.00 O ATOM 1563 NE2 GLN A 96 19.157 -6.627 2.161 1.00 0.00 N ATOM 0 H GLN A 96 16.463 -2.918 1.442 1.00 0.00 H new ATOM 0 HA GLN A 96 17.411 -2.680 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.564 -4.058 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.238 -4.132 3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.011 -5.108 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.574 -5.232 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.403 -5.817 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.683 -7.496 2.067 1.00 0.00 H new ATOM 1659 N ILE A 103 16.985 -3.712 7.293 1.00 0.00 N ATOM 1660 CA ILE A 103 15.736 -3.183 6.768 1.00 0.00 C ATOM 1661 C ILE A 103 15.239 -2.035 7.627 1.00 0.00 C ATOM 1662 O ILE A 103 15.085 -2.171 8.841 1.00 0.00 O ATOM 1663 CB ILE A 103 14.640 -4.267 6.683 1.00 0.00 C ATOM 1664 CG1 ILE A 103 15.019 -5.306 5.634 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.288 -3.645 6.353 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.984 -6.390 5.453 1.00 0.00 C ATOM 0 HA ILE A 103 15.943 -2.825 5.759 1.00 0.00 H new ATOM 0 HB ILE A 103 14.558 -4.757 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.178 -4.804 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.967 -5.764 5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.531 -4.427 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.016 -2.931 7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.348 -3.131 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.322 -7.093 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.841 -6.918 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.040 -5.943 5.141 1.00 0.00 H new ATOM 1678 N GLU A 104 15.015 -0.901 6.989 1.00 0.00 N ATOM 1679 CA GLU A 104 14.469 0.255 7.668 1.00 0.00 C ATOM 1680 C GLU A 104 12.946 0.211 7.641 1.00 0.00 C ATOM 1681 O GLU A 104 12.279 0.553 8.622 1.00 0.00 O ATOM 1682 CB GLU A 104 14.993 1.535 7.028 1.00 0.00 C ATOM 1683 CG GLU A 104 14.952 1.519 5.517 1.00 0.00 C ATOM 1684 CD GLU A 104 15.778 2.641 4.918 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.021 2.523 4.896 1.00 0.00 O ATOM 1686 OE2 GLU A 104 15.189 3.656 4.487 1.00 0.00 O ATOM 0 H GLU A 104 15.204 -0.758 5.997 1.00 0.00 H new ATOM 0 HA GLU A 104 14.789 0.241 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.405 2.379 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.020 1.699 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.323 0.561 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.919 1.609 5.181 1.00 0.00 H new ATOM 1693 N TYR A 105 12.414 -0.225 6.507 1.00 0.00 N ATOM 1694 CA TYR A 105 10.977 -0.361 6.313 1.00 0.00 C ATOM 1695 C TYR A 105 10.696 -1.026 4.968 1.00 0.00 C ATOM 1696 O TYR A 105 11.613 -1.483 4.284 1.00 0.00 O ATOM 1697 CB TYR A 105 10.283 1.009 6.377 1.00 0.00 C ATOM 1698 CG TYR A 105 10.888 2.064 5.476 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.725 2.013 4.098 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.627 3.110 6.008 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.280 2.970 3.278 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.187 4.073 5.193 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.011 3.999 3.830 1.00 0.00 C ATOM 1704 OH TYR A 105 12.571 4.954 3.014 1.00 0.00 O ATOM 0 H TYR A 105 12.968 -0.495 5.694 1.00 0.00 H new ATOM 0 HA TYR A 105 10.579 -0.984 7.114 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.233 0.883 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.312 1.368 7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.152 1.208 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.767 3.172 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.143 2.914 2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.761 4.881 5.623 1.00 0.00 H new ATOM 0 HH TYR A 105 13.281 4.548 2.475 1.00 0.00 H new ATOM 1714 N ILE A 106 9.430 -1.068 4.595 1.00 0.00 N ATOM 1715 CA ILE A 106 9.019 -1.632 3.324 1.00 0.00 C ATOM 1716 C ILE A 106 8.591 -0.511 2.378 1.00 0.00 C ATOM 1717 O ILE A 106 8.060 0.511 2.815 1.00 0.00 O ATOM 1718 CB ILE A 106 7.837 -2.616 3.506 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.136 -3.621 4.622 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.541 -3.352 2.205 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.965 -4.526 4.945 1.00 0.00 C ATOM 0 H ILE A 106 8.661 -0.713 5.163 1.00 0.00 H new ATOM 0 HA ILE A 106 9.866 -2.175 2.906 1.00 0.00 H new ATOM 0 HB ILE A 106 6.957 -2.036 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.989 -4.233 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.425 -3.078 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.707 -4.038 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.282 -2.631 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.422 -3.915 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.245 -5.213 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.116 -3.922 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.689 -5.095 4.057 1.00 0.00 H new ATOM 1733 N ILE A 107 8.797 -0.712 1.091 1.00 0.00 N ATOM 1734 CA ILE A 107 8.386 0.251 0.081 1.00 0.00 C ATOM 1735 C ILE A 107 7.291 -0.379 -0.761 1.00 0.00 C ATOM 1736 O ILE A 107 7.413 -1.537 -1.169 1.00 0.00 O ATOM 1737 CB ILE A 107 9.560 0.663 -0.837 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.698 1.273 -0.015 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.089 1.645 -1.905 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.882 1.722 -0.847 1.00 0.00 C ATOM 0 H ILE A 107 9.252 -1.543 0.714 1.00 0.00 H new ATOM 0 HA ILE A 107 8.030 1.150 0.585 1.00 0.00 H new ATOM 0 HB ILE A 107 9.934 -0.232 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.313 2.127 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.038 0.541 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.930 1.922 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.314 1.178 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.686 2.538 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.647 2.143 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.294 0.868 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.558 2.479 -1.562 1.00 0.00 H new ATOM 1752 N CYS A 108 6.215 0.352 -0.997 1.00 0.00 N ATOM 1753 CA CYS A 108 5.100 -0.192 -1.744 1.00 0.00 C ATOM 1754 C CYS A 108 4.546 0.811 -2.749 1.00 0.00 C ATOM 1755 O CYS A 108 4.117 1.905 -2.391 1.00 0.00 O ATOM 1756 CB CYS A 108 4.003 -0.658 -0.783 1.00 0.00 C ATOM 1757 SG CYS A 108 3.565 0.539 0.500 1.00 0.00 S ATOM 0 H CYS A 108 6.092 1.315 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 108 5.464 -1.048 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.109 -0.895 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.327 -1.582 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 108 4.366 1.561 0.432 1.00 0.00 H new ATOM 1763 N THR A 109 4.592 0.435 -4.013 1.00 0.00 N ATOM 1764 CA THR A 109 3.933 1.198 -5.053 1.00 0.00 C ATOM 1765 C THR A 109 2.553 0.601 -5.295 1.00 0.00 C ATOM 1766 O THR A 109 2.412 -0.621 -5.365 1.00 0.00 O ATOM 1767 CB THR A 109 4.748 1.182 -6.358 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.134 1.413 -6.064 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.249 2.250 -7.321 1.00 0.00 C ATOM 0 H THR A 109 5.081 -0.397 -4.344 1.00 0.00 H new ATOM 0 HA THR A 109 3.845 2.235 -4.730 1.00 0.00 H new ATOM 0 HB THR A 109 4.627 0.206 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.651 1.401 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.840 2.220 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.202 2.064 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.347 3.232 -6.858 1.00 0.00 H new ATOM 1777 N ASN A 110 1.544 1.445 -5.426 1.00 0.00 N ATOM 1778 CA ASN A 110 0.172 0.964 -5.480 1.00 0.00 C ATOM 1779 C ASN A 110 -0.490 1.408 -6.775 1.00 0.00 C ATOM 1780 O ASN A 110 -0.772 2.589 -6.964 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.631 1.479 -4.279 1.00 0.00 C ATOM 1782 CG ASN A 110 0.075 1.259 -2.951 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.816 2.120 -2.480 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -0.143 0.106 -2.338 1.00 0.00 N ATOM 0 H ASN A 110 1.646 2.457 -5.496 1.00 0.00 H new ATOM 0 HA ASN A 110 0.190 -0.125 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.825 2.544 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.599 0.979 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 110 0.310 -0.091 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.764 -0.585 -2.758 1.00 0.00 H new ATOM 1791 N THR A 111 -0.748 0.452 -7.652 1.00 0.00 N ATOM 1792 CA THR A 111 -1.313 0.740 -8.956 1.00 0.00 C ATOM 1793 C THR A 111 -2.780 0.338 -9.005 1.00 0.00 C ATOM 1794 O THR A 111 -3.122 -0.820 -8.770 1.00 0.00 O ATOM 1795 CB THR A 111 -0.545 -0.013 -10.059 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.852 0.272 -9.952 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.043 0.385 -11.441 1.00 0.00 C ATOM 0 H THR A 111 -0.573 -0.538 -7.480 1.00 0.00 H new ATOM 0 HA THR A 111 -1.228 1.813 -9.126 1.00 0.00 H new ATOM 0 HB THR A 111 -0.715 -1.081 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.049 1.118 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.484 -0.161 -12.201 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.103 0.146 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.899 1.456 -11.585 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.636 1.294 -9.324 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.068 1.045 -9.391 1.00 0.00 C ATOM 1807 C ASN A 112 -5.396 0.309 -10.678 1.00 0.00 C ATOM 1808 O ASN A 112 -5.098 0.796 -11.769 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.831 2.368 -9.348 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.343 2.179 -9.338 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -8.077 2.976 -9.917 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.821 1.137 -8.672 1.00 0.00 N ATOM 0 H ASN A 112 -3.364 2.253 -9.541 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.365 0.435 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.533 2.925 -8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.551 2.972 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.828 0.977 -8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.182 0.495 -8.203 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.983 -0.873 -10.555 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.335 -1.661 -11.722 1.00 0.00 C ATOM 1821 C VAL A 113 -7.715 -1.251 -12.239 1.00 0.00 C ATOM 1822 O VAL A 113 -7.892 -0.132 -12.722 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.297 -3.183 -11.428 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.318 -3.993 -12.721 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -5.073 -3.541 -10.595 1.00 0.00 C ATOM 0 H VAL A 113 -6.224 -1.304 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.589 -1.461 -12.492 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.190 -3.435 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.291 -5.057 -12.484 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.229 -3.768 -13.276 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.450 -3.734 -13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.066 -4.613 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.169 -3.265 -11.139 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.106 -3.001 -9.649 1.00 0.00 H new