USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1324 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 33 GLN : amide:sc= 1.12 K(o=2.3,f=-6.9!) USER MOD Set 1.2: A 153 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 120 THR OG1 : rot 118:sc= 0.967 USER MOD Set 2.2: A 134 SER OG : rot 95:sc= 0.782 USER MOD Set 3.1: A 121 GLN :FLIP amide:sc= -1.26 F(o=-5.2,f=-2.8) USER MOD Set 3.2: A 154 MET CE :methyl -175:sc= -1.56 (180deg=-1.3) USER MOD Set 4.1: A 92 HIS : no HE2:sc= -1.17 K(o=-1.6,f=-2.2) USER MOD Set 4.2: A 94 MET CE :methyl -141:sc= -0.395 (180deg=-0.685) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -177:sc= -0.282 (180deg=-0.312) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 178:sc= 0 (180deg=-0.00163) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.048) USER MOD Single : A 35 GLN : amide:sc= 1.1 K(o=1.1,f=-0.2) USER MOD Single : A 36 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 39 TYR OH : rot 130:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -115:sc= 0.905 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 29:sc= 0.339 USER MOD Single : A 48 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.0025) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -151:sc= 1.38 USER MOD Single : A 62 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.75) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 174:sc= 0.171 USER MOD Single : A 71 TYR OH : rot 165:sc= 0.748 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.2!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 89 SER OG : rot -28:sc= 0.575 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.143 K(o=0.14,f=-4.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.495 K(o=0.5,f=-3.8!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -169:sc= 0 (180deg=-0.146) USER MOD Single : A 136 SER OG : rot -99:sc= 0.877 USER MOD Single : A 138 CYS SG : rot 34:sc= 1.18 USER MOD Single : A 139 SER OG : rot 180:sc= 0.107 USER MOD Single : A 147 SER OG : rot 65:sc= 1.01 USER MOD Single : A 151 GLN : amide:sc= 0.923 K(o=0.92,f=-0.42) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot 160:sc= 0 USER MOD Single : A 163 MET CE :methyl 147:sc= 0 (180deg=-0.181) USER MOD Single : A 166 MET CE :methyl -175:sc=-0.00813 (180deg=-0.0466) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.713 18.501 10.177 1.00 0.91 N ATOM 129 CA TRP A 9 -3.176 17.709 9.037 1.00 0.80 C ATOM 130 C TRP A 9 -3.455 16.265 9.470 1.00 0.70 C ATOM 131 O TRP A 9 -4.519 15.732 9.160 1.00 0.63 O ATOM 132 CB TRP A 9 -2.147 17.781 7.898 1.00 0.89 C ATOM 133 CG TRP A 9 -2.566 17.244 6.557 1.00 0.96 C ATOM 134 CD1 TRP A 9 -3.834 17.021 6.140 1.00 1.86 C ATOM 135 CD2 TRP A 9 -1.718 16.929 5.406 1.00 1.43 C ATOM 136 NE1 TRP A 9 -3.833 16.619 4.820 1.00 1.83 N ATOM 137 CE2 TRP A 9 -2.557 16.581 4.303 1.00 1.34 C ATOM 138 CE3 TRP A 9 -0.325 16.929 5.170 1.00 2.76 C ATOM 139 CZ2 TRP A 9 -2.048 16.298 3.027 1.00 1.90 C ATOM 140 CZ3 TRP A 9 0.200 16.620 3.900 1.00 3.57 C ATOM 141 CH2 TRP A 9 -0.657 16.320 2.826 1.00 3.01 C ATOM 0 HA TRP A 9 -4.113 18.121 8.664 1.00 0.80 H new ATOM 0 HB2 TRP A 9 -1.859 18.824 7.769 1.00 0.89 H new ATOM 0 HB3 TRP A 9 -1.255 17.241 8.214 1.00 0.89 H new ATOM 0 HD1 TRP A 9 -4.717 17.140 6.751 1.00 1.86 H new ATOM 0 HE1 TRP A 9 -4.673 16.380 4.293 1.00 1.83 H new ATOM 0 HE3 TRP A 9 0.350 17.170 5.978 1.00 2.76 H new ATOM 0 HZ2 TRP A 9 -2.716 16.066 2.210 1.00 1.90 H new ATOM 0 HZ3 TRP A 9 1.269 16.613 3.750 1.00 3.57 H new ATOM 0 HH2 TRP A 9 -0.248 16.107 1.850 1.00 3.01 H new ATOM 152 N ARG A 10 -2.566 15.679 10.286 1.00 0.75 N ATOM 153 CA ARG A 10 -2.758 14.356 10.896 1.00 0.70 C ATOM 154 C ARG A 10 -3.994 14.343 11.805 1.00 0.63 C ATOM 155 O ARG A 10 -4.788 13.414 11.723 1.00 0.61 O ATOM 156 CB ARG A 10 -1.481 13.926 11.648 1.00 0.83 C ATOM 157 CG ARG A 10 -1.697 12.645 12.473 1.00 1.08 C ATOM 158 CD ARG A 10 -0.405 12.108 13.095 1.00 1.41 C ATOM 159 NE ARG A 10 -0.707 10.964 13.976 1.00 2.33 N ATOM 160 CZ ARG A 10 0.027 10.519 14.990 1.00 3.01 C ATOM 161 NH1 ARG A 10 1.219 11.008 15.260 1.00 3.08 N ATOM 162 NH2 ARG A 10 -0.440 9.559 15.760 1.00 4.15 N ATOM 0 H ARG A 10 -1.682 16.117 10.544 1.00 0.75 H new ATOM 0 HA ARG A 10 -2.939 13.627 10.106 1.00 0.70 H new ATOM 0 HB2 ARG A 10 -0.676 13.763 10.931 1.00 0.83 H new ATOM 0 HB3 ARG A 10 -1.161 14.732 12.308 1.00 0.83 H new ATOM 0 HG2 ARG A 10 -2.418 12.847 13.265 1.00 1.08 H new ATOM 0 HG3 ARG A 10 -2.132 11.877 11.834 1.00 1.08 H new ATOM 0 HD2 ARG A 10 0.286 11.801 12.310 1.00 1.41 H new ATOM 0 HD3 ARG A 10 0.089 12.895 13.664 1.00 1.41 H new ATOM 0 HE ARG A 10 -1.573 10.460 13.786 1.00 2.33 H new ATOM 0 HH11 ARG A 10 1.607 11.753 14.682 1.00 3.08 H new ATOM 0 HH12 ARG A 10 1.754 10.642 16.047 1.00 3.08 H new ATOM 0 HH21 ARG A 10 -1.361 9.161 15.577 1.00 4.15 H new ATOM 0 HH22 ARG A 10 0.119 9.213 16.540 1.00 4.15 H new ATOM 176 N ARG A 11 -4.211 15.378 12.625 1.00 0.67 N ATOM 177 CA ARG A 11 -5.367 15.490 13.533 1.00 0.70 C ATOM 178 C ARG A 11 -6.693 15.550 12.768 1.00 0.67 C ATOM 179 O ARG A 11 -7.661 14.882 13.144 1.00 0.70 O ATOM 180 CB ARG A 11 -5.212 16.749 14.413 1.00 0.83 C ATOM 181 CG ARG A 11 -5.342 16.440 15.902 1.00 1.83 C ATOM 182 CD ARG A 11 -6.762 16.030 16.326 1.00 2.64 C ATOM 183 NE ARG A 11 -6.777 14.720 17.007 1.00 4.15 N ATOM 184 CZ ARG A 11 -7.557 13.675 16.745 1.00 5.36 C ATOM 185 NH1 ARG A 11 -8.359 13.626 15.702 1.00 5.88 N ATOM 186 NH2 ARG A 11 -7.539 12.637 17.552 1.00 6.77 N ATOM 0 H ARG A 11 -3.579 16.177 12.680 1.00 0.67 H new ATOM 0 HA ARG A 11 -5.389 14.597 14.158 1.00 0.70 H new ATOM 0 HB2 ARG A 11 -4.240 17.204 14.223 1.00 0.83 H new ATOM 0 HB3 ARG A 11 -5.968 17.482 14.130 1.00 0.83 H new ATOM 0 HG2 ARG A 11 -4.650 15.638 16.160 1.00 1.83 H new ATOM 0 HG3 ARG A 11 -5.041 17.318 16.474 1.00 1.83 H new ATOM 0 HD2 ARG A 11 -7.176 16.789 16.990 1.00 2.64 H new ATOM 0 HD3 ARG A 11 -7.406 15.990 15.447 1.00 2.64 H new ATOM 0 HE ARG A 11 -6.110 14.602 17.769 1.00 4.15 H new ATOM 0 HH11 ARG A 11 -8.400 14.412 15.053 1.00 5.88 H new ATOM 0 HH12 ARG A 11 -8.939 12.802 15.543 1.00 5.88 H new ATOM 0 HH21 ARG A 11 -6.930 12.638 18.371 1.00 6.77 H new ATOM 0 HH22 ARG A 11 -8.134 11.831 17.359 1.00 6.77 H new ATOM 200 N THR A 12 -6.708 16.327 11.682 1.00 0.67 N ATOM 201 CA THR A 12 -7.844 16.455 10.747 1.00 0.68 C ATOM 202 C THR A 12 -8.137 15.122 10.072 1.00 0.64 C ATOM 203 O THR A 12 -9.284 14.684 10.048 1.00 0.71 O ATOM 204 CB THR A 12 -7.559 17.545 9.701 1.00 0.72 C ATOM 205 OG1 THR A 12 -7.328 18.767 10.365 1.00 0.84 O ATOM 206 CG2 THR A 12 -8.739 17.756 8.748 1.00 0.85 C ATOM 0 H THR A 12 -5.910 16.904 11.415 1.00 0.67 H new ATOM 0 HA THR A 12 -8.727 16.748 11.315 1.00 0.68 H new ATOM 0 HB THR A 12 -6.693 17.222 9.123 1.00 0.72 H new ATOM 0 HG1 THR A 12 -7.144 19.468 9.705 1.00 0.84 H new ATOM 0 HG21 THR A 12 -8.490 18.535 8.028 1.00 0.85 H new ATOM 0 HG22 THR A 12 -8.950 16.827 8.219 1.00 0.85 H new ATOM 0 HG23 THR A 12 -9.618 18.056 9.318 1.00 0.85 H new ATOM 214 N MET A 13 -7.102 14.432 9.590 1.00 0.59 N ATOM 215 CA MET A 13 -7.227 13.112 8.969 1.00 0.59 C ATOM 216 C MET A 13 -7.707 12.070 9.989 1.00 0.60 C ATOM 217 O MET A 13 -8.612 11.309 9.670 1.00 0.65 O ATOM 218 CB MET A 13 -5.875 12.691 8.356 1.00 0.61 C ATOM 219 CG MET A 13 -5.937 12.248 6.889 1.00 1.00 C ATOM 220 SD MET A 13 -5.670 13.543 5.645 1.00 1.09 S ATOM 221 CE MET A 13 -7.259 14.402 5.703 1.00 1.59 C ATOM 0 H MET A 13 -6.143 14.778 9.620 1.00 0.59 H new ATOM 0 HA MET A 13 -7.972 13.169 8.175 1.00 0.59 H new ATOM 0 HB2 MET A 13 -5.180 13.527 8.438 1.00 0.61 H new ATOM 0 HB3 MET A 13 -5.463 11.875 8.949 1.00 0.61 H new ATOM 0 HG2 MET A 13 -5.192 11.468 6.736 1.00 1.00 H new ATOM 0 HG3 MET A 13 -6.913 11.797 6.709 1.00 1.00 H new ATOM 0 HE1 MET A 13 -7.272 15.194 4.954 1.00 1.59 H new ATOM 0 HE2 MET A 13 -8.063 13.695 5.497 1.00 1.59 H new ATOM 0 HE3 MET A 13 -7.402 14.836 6.693 1.00 1.59 H new ATOM 231 N LEU A 14 -7.199 12.088 11.229 1.00 0.59 N ATOM 232 CA LEU A 14 -7.596 11.189 12.323 1.00 0.64 C ATOM 233 C LEU A 14 -9.096 11.282 12.596 1.00 0.65 C ATOM 234 O LEU A 14 -9.756 10.253 12.728 1.00 0.68 O ATOM 235 CB LEU A 14 -6.753 11.489 13.594 1.00 0.71 C ATOM 236 CG LEU A 14 -5.449 10.668 13.709 1.00 0.93 C ATOM 237 CD1 LEU A 14 -4.529 11.206 14.812 1.00 2.12 C ATOM 238 CD2 LEU A 14 -5.735 9.188 14.033 1.00 1.68 C ATOM 0 H LEU A 14 -6.476 12.751 11.508 1.00 0.59 H new ATOM 0 HA LEU A 14 -7.394 10.161 12.023 1.00 0.64 H new ATOM 0 HB2 LEU A 14 -6.501 12.550 13.605 1.00 0.71 H new ATOM 0 HB3 LEU A 14 -7.366 11.298 14.474 1.00 0.71 H new ATOM 0 HG LEU A 14 -4.961 10.756 12.738 1.00 0.93 H new ATOM 0 HD11 LEU A 14 -3.624 10.600 14.859 1.00 2.12 H new ATOM 0 HD12 LEU A 14 -4.263 12.240 14.592 1.00 2.12 H new ATOM 0 HD13 LEU A 14 -5.046 11.161 15.771 1.00 2.12 H new ATOM 0 HD21 LEU A 14 -4.794 8.643 14.106 1.00 1.68 H new ATOM 0 HD22 LEU A 14 -6.268 9.120 14.981 1.00 1.68 H new ATOM 0 HD23 LEU A 14 -6.345 8.754 13.241 1.00 1.68 H new ATOM 250 N LEU A 15 -9.649 12.498 12.599 1.00 0.65 N ATOM 251 CA LEU A 15 -11.087 12.750 12.742 1.00 0.67 C ATOM 252 C LEU A 15 -11.858 12.220 11.521 1.00 0.66 C ATOM 253 O LEU A 15 -12.856 11.521 11.692 1.00 0.70 O ATOM 254 CB LEU A 15 -11.239 14.265 13.016 1.00 0.69 C ATOM 255 CG LEU A 15 -12.586 14.774 13.566 1.00 0.73 C ATOM 256 CD1 LEU A 15 -13.695 14.703 12.517 1.00 0.73 C ATOM 257 CD2 LEU A 15 -13.031 14.032 14.835 1.00 0.82 C ATOM 0 H LEU A 15 -9.100 13.352 12.500 1.00 0.65 H new ATOM 0 HA LEU A 15 -11.532 12.209 13.577 1.00 0.67 H new ATOM 0 HB2 LEU A 15 -10.460 14.556 13.721 1.00 0.69 H new ATOM 0 HB3 LEU A 15 -11.039 14.794 12.084 1.00 0.69 H new ATOM 0 HG LEU A 15 -12.414 15.818 13.829 1.00 0.73 H new ATOM 0 HD11 LEU A 15 -14.627 15.071 12.947 1.00 0.73 H new ATOM 0 HD12 LEU A 15 -13.424 15.317 11.659 1.00 0.73 H new ATOM 0 HD13 LEU A 15 -13.827 13.670 12.196 1.00 0.73 H new ATOM 0 HD21 LEU A 15 -13.985 14.434 15.176 1.00 0.82 H new ATOM 0 HD22 LEU A 15 -13.142 12.970 14.616 1.00 0.82 H new ATOM 0 HD23 LEU A 15 -12.282 14.165 15.616 1.00 0.82 H new ATOM 269 N ARG A 16 -11.366 12.449 10.299 1.00 0.65 N ATOM 270 CA ARG A 16 -11.977 11.904 9.075 1.00 0.70 C ATOM 271 C ARG A 16 -11.973 10.367 9.034 1.00 0.69 C ATOM 272 O ARG A 16 -12.997 9.761 8.725 1.00 0.74 O ATOM 273 CB ARG A 16 -11.287 12.481 7.836 1.00 0.76 C ATOM 274 CG ARG A 16 -11.649 13.963 7.666 1.00 0.92 C ATOM 275 CD ARG A 16 -10.987 14.543 6.418 1.00 0.98 C ATOM 276 NE ARG A 16 -11.534 13.963 5.179 1.00 1.22 N ATOM 277 CZ ARG A 16 -12.705 14.189 4.602 1.00 2.07 C ATOM 278 NH1 ARG A 16 -13.582 15.057 5.064 1.00 3.23 N ATOM 279 NH2 ARG A 16 -12.991 13.498 3.524 1.00 2.63 N ATOM 0 H ARG A 16 -10.535 13.015 10.127 1.00 0.65 H new ATOM 0 HA ARG A 16 -13.024 12.209 9.081 1.00 0.70 H new ATOM 0 HB2 ARG A 16 -10.206 12.372 7.929 1.00 0.76 H new ATOM 0 HB3 ARG A 16 -11.588 11.922 6.950 1.00 0.76 H new ATOM 0 HG2 ARG A 16 -12.731 14.072 7.593 1.00 0.92 H new ATOM 0 HG3 ARG A 16 -11.331 14.523 8.545 1.00 0.92 H new ATOM 0 HD2 ARG A 16 -11.126 15.624 6.404 1.00 0.98 H new ATOM 0 HD3 ARG A 16 -9.913 14.360 6.460 1.00 0.98 H new ATOM 0 HE ARG A 16 -10.928 13.296 4.700 1.00 1.22 H new ATOM 0 HH11 ARG A 16 -13.373 15.594 5.906 1.00 3.23 H new ATOM 0 HH12 ARG A 16 -14.470 15.192 4.580 1.00 3.23 H new ATOM 0 HH21 ARG A 16 -12.322 12.818 3.162 1.00 2.63 H new ATOM 0 HH22 ARG A 16 -13.882 13.641 3.048 1.00 2.63 H new ATOM 293 N PHE A 17 -10.864 9.719 9.400 1.00 0.65 N ATOM 294 CA PHE A 17 -10.733 8.262 9.475 1.00 0.68 C ATOM 295 C PHE A 17 -11.584 7.664 10.610 1.00 0.72 C ATOM 296 O PHE A 17 -12.198 6.614 10.415 1.00 0.81 O ATOM 297 CB PHE A 17 -9.247 7.887 9.574 1.00 0.62 C ATOM 298 CG PHE A 17 -8.486 7.945 8.253 1.00 0.66 C ATOM 299 CD1 PHE A 17 -8.791 7.050 7.207 1.00 1.89 C ATOM 300 CD2 PHE A 17 -7.401 8.826 8.100 1.00 1.53 C ATOM 301 CE1 PHE A 17 -8.007 7.032 6.036 1.00 1.97 C ATOM 302 CE2 PHE A 17 -6.577 8.772 6.962 1.00 1.50 C ATOM 303 CZ PHE A 17 -6.889 7.880 5.922 1.00 0.79 C ATOM 0 H PHE A 17 -10.008 10.208 9.660 1.00 0.65 H new ATOM 0 HA PHE A 17 -11.129 7.821 8.561 1.00 0.68 H new ATOM 0 HB2 PHE A 17 -8.764 8.556 10.286 1.00 0.62 H new ATOM 0 HB3 PHE A 17 -9.167 6.879 9.980 1.00 0.62 H new ATOM 0 HD1 PHE A 17 -9.629 6.375 7.304 1.00 1.89 H new ATOM 0 HD2 PHE A 17 -7.197 9.556 8.869 1.00 1.53 H new ATOM 0 HE1 PHE A 17 -8.264 6.367 5.225 1.00 1.97 H new ATOM 0 HE2 PHE A 17 -5.710 9.412 6.888 1.00 1.50 H new ATOM 0 HZ PHE A 17 -6.272 7.845 5.036 1.00 0.79 H new ATOM 313 N GLN A 18 -11.722 8.367 11.741 1.00 0.71 N ATOM 314 CA GLN A 18 -12.715 8.074 12.786 1.00 0.80 C ATOM 315 C GLN A 18 -14.174 8.181 12.292 1.00 0.84 C ATOM 316 O GLN A 18 -15.052 7.531 12.865 1.00 1.01 O ATOM 317 CB GLN A 18 -12.483 9.026 13.982 1.00 0.83 C ATOM 318 CG GLN A 18 -11.497 8.448 15.009 1.00 1.68 C ATOM 319 CD GLN A 18 -11.431 9.306 16.276 1.00 2.46 C ATOM 320 OE1 GLN A 18 -10.509 10.086 16.494 1.00 3.46 O ATOM 321 NE2 GLN A 18 -12.412 9.209 17.153 1.00 2.97 N ATOM 0 H GLN A 18 -11.135 9.172 11.961 1.00 0.71 H new ATOM 0 HA GLN A 18 -12.574 7.036 13.087 1.00 0.80 H new ATOM 0 HB2 GLN A 18 -12.104 9.980 13.615 1.00 0.83 H new ATOM 0 HB3 GLN A 18 -13.436 9.229 14.471 1.00 0.83 H new ATOM 0 HG2 GLN A 18 -11.798 7.434 15.272 1.00 1.68 H new ATOM 0 HG3 GLN A 18 -10.505 8.381 14.563 1.00 1.68 H new ATOM 0 HE21 GLN A 18 -13.185 8.565 16.985 1.00 2.97 H new ATOM 0 HE22 GLN A 18 -12.398 9.778 17.999 1.00 2.97 H new ATOM 330 N ARG A 19 -14.438 8.965 11.237 1.00 0.76 N ATOM 331 CA ARG A 19 -15.767 9.182 10.644 1.00 0.82 C ATOM 332 C ARG A 19 -16.086 8.304 9.418 1.00 0.78 C ATOM 333 O ARG A 19 -17.222 8.356 8.940 1.00 0.88 O ATOM 334 CB ARG A 19 -15.935 10.676 10.305 1.00 1.06 C ATOM 335 CG ARG A 19 -16.485 11.458 11.508 1.00 1.60 C ATOM 336 CD ARG A 19 -16.785 12.923 11.141 1.00 1.24 C ATOM 337 NE ARG A 19 -18.193 13.299 11.385 1.00 1.68 N ATOM 338 CZ ARG A 19 -19.265 12.927 10.690 1.00 2.70 C ATOM 339 NH1 ARG A 19 -19.195 12.099 9.668 1.00 3.73 N ATOM 340 NH2 ARG A 19 -20.449 13.393 11.023 1.00 3.25 N ATOM 0 H ARG A 19 -13.705 9.485 10.755 1.00 0.76 H new ATOM 0 HA ARG A 19 -16.490 8.871 11.398 1.00 0.82 H new ATOM 0 HB2 ARG A 19 -14.974 11.094 10.004 1.00 1.06 H new ATOM 0 HB3 ARG A 19 -16.610 10.786 9.456 1.00 1.06 H new ATOM 0 HG2 ARG A 19 -17.395 10.979 11.869 1.00 1.60 H new ATOM 0 HG3 ARG A 19 -15.763 11.427 12.324 1.00 1.60 H new ATOM 0 HD2 ARG A 19 -16.134 13.578 11.719 1.00 1.24 H new ATOM 0 HD3 ARG A 19 -16.548 13.085 10.090 1.00 1.24 H new ATOM 0 HE ARG A 19 -18.363 13.916 12.179 1.00 1.68 H new ATOM 0 HH11 ARG A 19 -18.294 11.717 9.382 1.00 3.73 H new ATOM 0 HH12 ARG A 19 -20.042 11.840 9.163 1.00 3.73 H new ATOM 0 HH21 ARG A 19 -20.541 14.036 11.810 1.00 3.25 H new ATOM 0 HH22 ARG A 19 -21.275 13.112 10.494 1.00 3.25 H new ATOM 354 N MET A 20 -15.152 7.491 8.908 1.00 0.76 N ATOM 355 CA MET A 20 -15.429 6.530 7.823 1.00 0.79 C ATOM 356 C MET A 20 -16.513 5.536 8.252 1.00 0.96 C ATOM 357 O MET A 20 -16.329 4.788 9.215 1.00 2.03 O ATOM 358 CB MET A 20 -14.160 5.781 7.391 1.00 0.73 C ATOM 359 CG MET A 20 -13.107 6.735 6.827 1.00 0.71 C ATOM 360 SD MET A 20 -13.585 7.593 5.314 1.00 0.97 S ATOM 361 CE MET A 20 -12.301 8.855 5.356 1.00 0.97 C ATOM 0 H MET A 20 -14.185 7.478 9.232 1.00 0.76 H new ATOM 0 HA MET A 20 -15.788 7.098 6.964 1.00 0.79 H new ATOM 0 HB2 MET A 20 -13.745 5.244 8.244 1.00 0.73 H new ATOM 0 HB3 MET A 20 -14.416 5.035 6.639 1.00 0.73 H new ATOM 0 HG2 MET A 20 -12.868 7.478 7.588 1.00 0.71 H new ATOM 0 HG3 MET A 20 -12.194 6.171 6.634 1.00 0.71 H new ATOM 0 HE1 MET A 20 -12.386 9.490 4.474 1.00 0.97 H new ATOM 0 HE2 MET A 20 -12.417 9.462 6.254 1.00 0.97 H new ATOM 0 HE3 MET A 20 -11.321 8.377 5.365 1.00 0.97 H new ATOM 371 N GLU A 21 -17.646 5.534 7.549 1.00 0.98 N ATOM 372 CA GLU A 21 -18.822 4.738 7.912 1.00 1.12 C ATOM 373 C GLU A 21 -18.791 3.328 7.292 1.00 1.14 C ATOM 374 O GLU A 21 -19.507 2.439 7.763 1.00 1.23 O ATOM 375 CB GLU A 21 -20.104 5.499 7.512 1.00 1.27 C ATOM 376 CG GLU A 21 -21.219 5.383 8.560 1.00 1.82 C ATOM 377 CD GLU A 21 -20.931 6.233 9.812 1.00 2.46 C ATOM 378 OE1 GLU A 21 -21.222 7.452 9.798 1.00 2.89 O ATOM 379 OE2 GLU A 21 -20.447 5.682 10.829 1.00 3.84 O ATOM 0 H GLU A 21 -17.776 6.090 6.703 1.00 0.98 H new ATOM 0 HA GLU A 21 -18.812 4.594 8.992 1.00 1.12 H new ATOM 0 HB2 GLU A 21 -19.863 6.551 7.360 1.00 1.27 H new ATOM 0 HB3 GLU A 21 -20.467 5.114 6.559 1.00 1.27 H new ATOM 0 HG2 GLU A 21 -22.164 5.698 8.119 1.00 1.82 H new ATOM 0 HG3 GLU A 21 -21.335 4.339 8.851 1.00 1.82 H new ATOM 386 N THR A 22 -17.957 3.114 6.259 1.00 1.10 N ATOM 387 CA THR A 22 -17.775 1.830 5.559 1.00 1.15 C ATOM 388 C THR A 22 -16.313 1.601 5.188 1.00 1.14 C ATOM 389 O THR A 22 -15.557 2.549 4.959 1.00 1.10 O ATOM 390 CB THR A 22 -18.643 1.728 4.296 1.00 1.25 C ATOM 391 OG1 THR A 22 -18.211 2.662 3.335 1.00 1.28 O ATOM 392 CG2 THR A 22 -20.128 1.953 4.572 1.00 1.31 C ATOM 0 H THR A 22 -17.371 3.856 5.875 1.00 1.10 H new ATOM 0 HA THR A 22 -18.094 1.056 6.257 1.00 1.15 H new ATOM 0 HB THR A 22 -18.526 0.710 3.924 1.00 1.25 H new ATOM 0 HG1 THR A 22 -18.769 2.588 2.533 1.00 1.28 H new ATOM 0 HG21 THR A 22 -20.688 1.868 3.641 1.00 1.31 H new ATOM 0 HG22 THR A 22 -20.484 1.204 5.279 1.00 1.31 H new ATOM 0 HG23 THR A 22 -20.273 2.948 4.993 1.00 1.31 H new ATOM 400 N ALA A 23 -15.925 0.329 5.061 1.00 1.18 N ATOM 401 CA ALA A 23 -14.606 -0.080 4.559 1.00 1.20 C ATOM 402 C ALA A 23 -14.360 0.457 3.139 1.00 1.25 C ATOM 403 O ALA A 23 -13.231 0.776 2.769 1.00 1.26 O ATOM 404 CB ALA A 23 -14.528 -1.612 4.605 1.00 1.29 C ATOM 0 H ALA A 23 -16.525 -0.458 5.307 1.00 1.18 H new ATOM 0 HA ALA A 23 -13.823 0.343 5.188 1.00 1.20 H new ATOM 0 HB1 ALA A 23 -13.556 -1.938 4.236 1.00 1.29 H new ATOM 0 HB2 ALA A 23 -14.659 -1.952 5.632 1.00 1.29 H new ATOM 0 HB3 ALA A 23 -15.314 -2.035 3.979 1.00 1.29 H new ATOM 410 N GLU A 24 -15.443 0.604 2.371 1.00 1.31 N ATOM 411 CA GLU A 24 -15.451 1.214 1.048 1.00 1.40 C ATOM 412 C GLU A 24 -15.001 2.679 1.136 1.00 1.30 C ATOM 413 O GLU A 24 -14.112 3.089 0.396 1.00 1.34 O ATOM 414 CB GLU A 24 -16.841 1.093 0.395 1.00 1.53 C ATOM 415 CG GLU A 24 -17.434 -0.324 0.466 1.00 1.64 C ATOM 416 CD GLU A 24 -18.748 -0.421 -0.324 1.00 1.99 C ATOM 417 OE1 GLU A 24 -19.822 -0.091 0.232 1.00 2.83 O ATOM 418 OE2 GLU A 24 -18.719 -0.847 -1.503 1.00 2.45 O ATOM 0 H GLU A 24 -16.367 0.290 2.667 1.00 1.31 H new ATOM 0 HA GLU A 24 -14.744 0.679 0.414 1.00 1.40 H new ATOM 0 HB2 GLU A 24 -17.524 1.788 0.883 1.00 1.53 H new ATOM 0 HB3 GLU A 24 -16.770 1.396 -0.650 1.00 1.53 H new ATOM 0 HG2 GLU A 24 -16.715 -1.041 0.070 1.00 1.64 H new ATOM 0 HG3 GLU A 24 -17.613 -0.594 1.507 1.00 1.64 H new ATOM 425 N GLU A 25 -15.535 3.452 2.092 1.00 1.18 N ATOM 426 CA GLU A 25 -15.146 4.848 2.323 1.00 1.10 C ATOM 427 C GLU A 25 -13.667 4.975 2.720 1.00 1.02 C ATOM 428 O GLU A 25 -12.982 5.876 2.233 1.00 1.00 O ATOM 429 CB GLU A 25 -16.046 5.491 3.396 1.00 1.04 C ATOM 430 CG GLU A 25 -16.367 6.957 3.075 1.00 1.31 C ATOM 431 CD GLU A 25 -17.318 7.607 4.098 1.00 2.05 C ATOM 432 OE1 GLU A 25 -17.657 6.982 5.132 1.00 2.58 O ATOM 433 OE2 GLU A 25 -17.752 8.759 3.851 1.00 2.92 O ATOM 0 H GLU A 25 -16.256 3.121 2.733 1.00 1.18 H new ATOM 0 HA GLU A 25 -15.280 5.381 1.382 1.00 1.10 H new ATOM 0 HB2 GLU A 25 -16.975 4.926 3.476 1.00 1.04 H new ATOM 0 HB3 GLU A 25 -15.552 5.432 4.366 1.00 1.04 H new ATOM 0 HG2 GLU A 25 -15.438 7.526 3.039 1.00 1.31 H new ATOM 0 HG3 GLU A 25 -16.815 7.015 2.083 1.00 1.31 H new ATOM 440 N VAL A 26 -13.160 4.046 3.545 1.00 1.01 N ATOM 441 CA VAL A 26 -11.746 4.035 3.975 1.00 0.99 C ATOM 442 C VAL A 26 -10.814 3.924 2.765 1.00 1.07 C ATOM 443 O VAL A 26 -9.902 4.739 2.619 1.00 1.08 O ATOM 444 CB VAL A 26 -11.414 2.895 4.970 1.00 1.00 C ATOM 445 CG1 VAL A 26 -9.919 2.890 5.341 1.00 1.01 C ATOM 446 CG2 VAL A 26 -12.226 3.005 6.268 1.00 0.97 C ATOM 0 H VAL A 26 -13.713 3.282 3.934 1.00 1.01 H new ATOM 0 HA VAL A 26 -11.588 4.981 4.493 1.00 0.99 H new ATOM 0 HB VAL A 26 -11.676 1.969 4.458 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -9.720 2.078 6.040 1.00 1.01 H new ATOM 0 HG12 VAL A 26 -9.321 2.748 4.441 1.00 1.01 H new ATOM 0 HG13 VAL A 26 -9.656 3.841 5.805 1.00 1.01 H new ATOM 0 HG21 VAL A 26 -11.959 2.185 6.935 1.00 0.97 H new ATOM 0 HG22 VAL A 26 -12.006 3.955 6.755 1.00 0.97 H new ATOM 0 HG23 VAL A 26 -13.290 2.954 6.037 1.00 0.97 H new ATOM 456 N TYR A 27 -11.044 2.942 1.883 1.00 1.13 N ATOM 457 CA TYR A 27 -10.191 2.758 0.704 1.00 1.20 C ATOM 458 C TYR A 27 -10.452 3.861 -0.343 1.00 1.18 C ATOM 459 O TYR A 27 -9.537 4.303 -1.034 1.00 1.18 O ATOM 460 CB TYR A 27 -10.297 1.325 0.142 1.00 1.34 C ATOM 461 CG TYR A 27 -11.206 1.152 -1.057 1.00 1.43 C ATOM 462 CD1 TYR A 27 -10.806 1.633 -2.318 1.00 2.34 C ATOM 463 CD2 TYR A 27 -12.462 0.540 -0.907 1.00 2.76 C ATOM 464 CE1 TYR A 27 -11.700 1.595 -3.404 1.00 2.44 C ATOM 465 CE2 TYR A 27 -13.354 0.477 -1.994 1.00 2.83 C ATOM 466 CZ TYR A 27 -12.982 1.023 -3.244 1.00 1.68 C ATOM 467 OH TYR A 27 -13.856 0.992 -4.289 1.00 1.83 O ATOM 0 H TYR A 27 -11.806 2.269 1.963 1.00 1.13 H new ATOM 0 HA TYR A 27 -9.150 2.870 1.008 1.00 1.20 H new ATOM 0 HB2 TYR A 27 -9.297 0.988 -0.132 1.00 1.34 H new ATOM 0 HB3 TYR A 27 -10.648 0.668 0.938 1.00 1.34 H new ATOM 0 HD1 TYR A 27 -9.811 2.032 -2.452 1.00 2.34 H new ATOM 0 HD2 TYR A 27 -12.744 0.116 0.046 1.00 2.76 H new ATOM 0 HE1 TYR A 27 -11.406 2.003 -4.360 1.00 2.44 H new ATOM 0 HE2 TYR A 27 -14.321 0.012 -1.873 1.00 2.83 H new ATOM 0 HH TYR A 27 -14.690 0.563 -4.005 1.00 1.83 H new ATOM 477 N HIS A 28 -11.690 4.339 -0.450 1.00 1.17 N ATOM 478 CA HIS A 28 -12.075 5.417 -1.357 1.00 1.17 C ATOM 479 C HIS A 28 -11.363 6.736 -1.027 1.00 1.08 C ATOM 480 O HIS A 28 -10.845 7.370 -1.939 1.00 1.07 O ATOM 481 CB HIS A 28 -13.602 5.546 -1.336 1.00 1.21 C ATOM 482 CG HIS A 28 -14.187 6.629 -2.204 1.00 1.26 C ATOM 483 ND1 HIS A 28 -15.069 7.600 -1.786 1.00 1.25 N ATOM 484 CD2 HIS A 28 -14.068 6.751 -3.563 1.00 1.42 C ATOM 485 CE1 HIS A 28 -15.480 8.282 -2.866 1.00 1.38 C ATOM 486 NE2 HIS A 28 -14.893 7.805 -3.980 1.00 1.47 N ATOM 0 H HIS A 28 -12.469 3.980 0.103 1.00 1.17 H new ATOM 0 HA HIS A 28 -11.755 5.172 -2.370 1.00 1.17 H new ATOM 0 HB2 HIS A 28 -14.031 4.592 -1.642 1.00 1.21 H new ATOM 0 HB3 HIS A 28 -13.917 5.723 -0.308 1.00 1.21 H new ATOM 0 HD2 HIS A 28 -13.447 6.141 -4.202 1.00 1.42 H new ATOM 0 HE1 HIS A 28 -16.184 9.100 -2.845 1.00 1.38 H new ATOM 0 HE2 HIS A 28 -15.022 8.142 -4.934 1.00 1.47 H new ATOM 494 N GLU A 29 -11.255 7.129 0.247 1.00 0.99 N ATOM 495 CA GLU A 29 -10.544 8.358 0.638 1.00 0.92 C ATOM 496 C GLU A 29 -9.062 8.311 0.226 1.00 0.91 C ATOM 497 O GLU A 29 -8.524 9.271 -0.332 1.00 0.91 O ATOM 498 CB GLU A 29 -10.672 8.528 2.164 1.00 0.87 C ATOM 499 CG GLU A 29 -9.937 9.740 2.761 1.00 0.93 C ATOM 500 CD GLU A 29 -10.705 11.064 2.624 1.00 1.43 C ATOM 501 OE1 GLU A 29 -11.389 11.311 1.606 1.00 2.79 O ATOM 502 OE2 GLU A 29 -10.638 11.884 3.567 1.00 2.08 O ATOM 0 H GLU A 29 -11.653 6.612 1.031 1.00 0.99 H new ATOM 0 HA GLU A 29 -10.991 9.208 0.123 1.00 0.92 H new ATOM 0 HB2 GLU A 29 -11.730 8.607 2.415 1.00 0.87 H new ATOM 0 HB3 GLU A 29 -10.297 7.625 2.645 1.00 0.87 H new ATOM 0 HG2 GLU A 29 -9.744 9.551 3.817 1.00 0.93 H new ATOM 0 HG3 GLU A 29 -8.968 9.841 2.273 1.00 0.93 H new ATOM 509 N ILE A 30 -8.388 7.187 0.483 1.00 0.93 N ATOM 510 CA ILE A 30 -6.960 7.033 0.154 1.00 0.94 C ATOM 511 C ILE A 30 -6.734 6.878 -1.361 1.00 0.97 C ATOM 512 O ILE A 30 -5.729 7.371 -1.871 1.00 0.96 O ATOM 513 CB ILE A 30 -6.308 5.914 0.996 1.00 0.99 C ATOM 514 CG1 ILE A 30 -6.877 4.537 0.630 1.00 1.09 C ATOM 515 CG2 ILE A 30 -6.494 6.224 2.497 1.00 0.99 C ATOM 516 CD1 ILE A 30 -6.323 3.368 1.433 1.00 1.17 C ATOM 0 H ILE A 30 -8.806 6.365 0.919 1.00 0.93 H new ATOM 0 HA ILE A 30 -6.448 7.955 0.430 1.00 0.94 H new ATOM 0 HB ILE A 30 -5.241 5.882 0.776 1.00 0.99 H new ATOM 0 HG12 ILE A 30 -7.959 4.564 0.758 1.00 1.09 H new ATOM 0 HG13 ILE A 30 -6.686 4.353 -0.427 1.00 1.09 H new ATOM 0 HG21 ILE A 30 -6.034 5.434 3.091 1.00 0.99 H new ATOM 0 HG22 ILE A 30 -6.022 7.178 2.733 1.00 0.99 H new ATOM 0 HG23 ILE A 30 -7.558 6.279 2.728 1.00 0.99 H new ATOM 0 HD11 ILE A 30 -6.790 2.442 1.097 1.00 1.17 H new ATOM 0 HD12 ILE A 30 -5.245 3.305 1.287 1.00 1.17 H new ATOM 0 HD13 ILE A 30 -6.538 3.519 2.491 1.00 1.17 H new ATOM 528 N GLU A 31 -7.674 6.263 -2.095 1.00 1.01 N ATOM 529 CA GLU A 31 -7.590 6.139 -3.555 1.00 1.01 C ATOM 530 C GLU A 31 -7.892 7.470 -4.259 1.00 1.00 C ATOM 531 O GLU A 31 -7.166 7.846 -5.176 1.00 0.95 O ATOM 532 CB GLU A 31 -8.411 4.945 -4.086 1.00 1.02 C ATOM 533 CG GLU A 31 -9.909 5.109 -4.387 1.00 1.80 C ATOM 534 CD GLU A 31 -10.282 4.909 -5.871 1.00 2.27 C ATOM 535 OE1 GLU A 31 -9.587 5.434 -6.772 1.00 2.69 O ATOM 536 OE2 GLU A 31 -11.313 4.249 -6.142 1.00 3.05 O ATOM 0 H GLU A 31 -8.510 5.840 -1.693 1.00 1.01 H new ATOM 0 HA GLU A 31 -6.556 5.905 -3.808 1.00 1.01 H new ATOM 0 HB2 GLU A 31 -7.932 4.607 -5.005 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -8.314 4.138 -3.360 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.470 4.395 -3.784 1.00 1.80 H new ATOM 0 HG3 GLU A 31 -10.224 6.105 -4.076 1.00 1.80 H new ATOM 543 N LEU A 32 -8.863 8.252 -3.767 1.00 1.02 N ATOM 544 CA LEU A 32 -9.112 9.634 -4.185 1.00 1.00 C ATOM 545 C LEU A 32 -7.841 10.477 -4.064 1.00 0.94 C ATOM 546 O LEU A 32 -7.501 11.217 -4.985 1.00 0.91 O ATOM 547 CB LEU A 32 -10.235 10.233 -3.310 1.00 0.97 C ATOM 548 CG LEU A 32 -11.678 9.892 -3.733 1.00 1.08 C ATOM 549 CD1 LEU A 32 -12.630 10.431 -2.653 1.00 1.04 C ATOM 550 CD2 LEU A 32 -12.047 10.498 -5.094 1.00 1.19 C ATOM 0 H LEU A 32 -9.512 7.930 -3.049 1.00 1.02 H new ATOM 0 HA LEU A 32 -9.419 9.639 -5.231 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -10.089 9.894 -2.284 1.00 0.97 H new ATOM 0 HB3 LEU A 32 -10.126 11.317 -3.306 1.00 0.97 H new ATOM 0 HG LEU A 32 -11.763 8.810 -3.834 1.00 1.08 H new ATOM 0 HD11 LEU A 32 -13.660 10.202 -2.929 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -12.398 9.962 -1.697 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -12.509 11.511 -2.567 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -13.073 10.229 -5.346 1.00 1.19 H new ATOM 0 HD22 LEU A 32 -11.958 11.583 -5.045 1.00 1.19 H new ATOM 0 HD23 LEU A 32 -11.372 10.113 -5.859 1.00 1.19 H new ATOM 562 N GLN A 33 -7.115 10.348 -2.953 1.00 0.96 N ATOM 563 CA GLN A 33 -5.869 11.073 -2.724 1.00 0.96 C ATOM 564 C GLN A 33 -4.743 10.653 -3.687 1.00 0.85 C ATOM 565 O GLN A 33 -3.898 11.484 -4.006 1.00 0.84 O ATOM 566 CB GLN A 33 -5.489 10.947 -1.241 1.00 1.09 C ATOM 567 CG GLN A 33 -4.449 11.990 -0.792 1.00 1.23 C ATOM 568 CD GLN A 33 -3.063 11.393 -0.557 1.00 1.67 C ATOM 569 OE1 GLN A 33 -2.626 11.244 0.576 1.00 2.37 O ATOM 570 NE2 GLN A 33 -2.329 11.037 -1.589 1.00 2.93 N ATOM 0 H GLN A 33 -7.378 9.733 -2.183 1.00 0.96 H new ATOM 0 HA GLN A 33 -6.024 12.128 -2.951 1.00 0.96 H new ATOM 0 HB2 GLN A 33 -6.387 11.053 -0.632 1.00 1.09 H new ATOM 0 HB3 GLN A 33 -5.095 9.948 -1.057 1.00 1.09 H new ATOM 0 HG2 GLN A 33 -4.378 12.772 -1.548 1.00 1.23 H new ATOM 0 HG3 GLN A 33 -4.793 12.465 0.126 1.00 1.23 H new ATOM 0 HE21 GLN A 33 -2.688 11.159 -2.536 1.00 2.93 H new ATOM 0 HE22 GLN A 33 -1.401 10.639 -1.442 1.00 2.93 H new ATOM 579 N ALA A 34 -4.707 9.404 -4.167 1.00 0.82 N ATOM 580 CA ALA A 34 -3.814 8.983 -5.254 1.00 0.76 C ATOM 581 C ALA A 34 -4.262 9.513 -6.630 1.00 0.70 C ATOM 582 O ALA A 34 -3.444 10.004 -7.410 1.00 0.67 O ATOM 583 CB ALA A 34 -3.733 7.454 -5.256 1.00 0.77 C ATOM 0 H ALA A 34 -5.299 8.654 -3.811 1.00 0.82 H new ATOM 0 HA ALA A 34 -2.828 9.412 -5.075 1.00 0.76 H new ATOM 0 HB1 ALA A 34 -3.073 7.126 -6.059 1.00 0.77 H new ATOM 0 HB2 ALA A 34 -3.341 7.109 -4.299 1.00 0.77 H new ATOM 0 HB3 ALA A 34 -4.728 7.037 -5.411 1.00 0.77 H new ATOM 589 N GLN A 35 -5.565 9.438 -6.923 1.00 0.72 N ATOM 590 CA GLN A 35 -6.182 9.903 -8.174 1.00 0.74 C ATOM 591 C GLN A 35 -5.992 11.415 -8.365 1.00 0.75 C ATOM 592 O GLN A 35 -5.764 11.874 -9.484 1.00 0.75 O ATOM 593 CB GLN A 35 -7.685 9.566 -8.156 1.00 0.85 C ATOM 594 CG GLN A 35 -7.996 8.057 -8.116 1.00 0.88 C ATOM 595 CD GLN A 35 -8.368 7.414 -9.454 1.00 1.45 C ATOM 596 OE1 GLN A 35 -8.064 7.894 -10.542 1.00 1.99 O ATOM 597 NE2 GLN A 35 -9.045 6.286 -9.411 1.00 1.98 N ATOM 0 H GLN A 35 -6.244 9.039 -6.275 1.00 0.72 H new ATOM 0 HA GLN A 35 -5.694 9.396 -9.007 1.00 0.74 H new ATOM 0 HB2 GLN A 35 -8.142 10.042 -7.289 1.00 0.85 H new ATOM 0 HB3 GLN A 35 -8.153 9.998 -9.040 1.00 0.85 H new ATOM 0 HG2 GLN A 35 -7.126 7.537 -7.715 1.00 0.88 H new ATOM 0 HG3 GLN A 35 -8.816 7.893 -7.416 1.00 0.88 H new ATOM 0 HE21 GLN A 35 -9.302 5.879 -8.512 1.00 1.98 H new ATOM 0 HE22 GLN A 35 -9.312 5.818 -10.277 1.00 1.98 H new ATOM 606 N GLN A 36 -6.022 12.186 -7.271 1.00 0.77 N ATOM 607 CA GLN A 36 -5.760 13.628 -7.251 1.00 0.79 C ATOM 608 C GLN A 36 -4.343 13.987 -7.731 1.00 0.72 C ATOM 609 O GLN A 36 -4.141 15.092 -8.238 1.00 0.77 O ATOM 610 CB GLN A 36 -6.026 14.150 -5.825 1.00 0.89 C ATOM 611 CG GLN A 36 -7.519 14.415 -5.558 1.00 1.25 C ATOM 612 CD GLN A 36 -8.031 15.685 -6.243 1.00 1.57 C ATOM 613 OE1 GLN A 36 -7.875 16.796 -5.750 1.00 1.60 O ATOM 614 NE2 GLN A 36 -8.645 15.587 -7.406 1.00 2.57 N ATOM 0 H GLN A 36 -6.236 11.810 -6.347 1.00 0.77 H new ATOM 0 HA GLN A 36 -6.432 14.114 -7.958 1.00 0.79 H new ATOM 0 HB2 GLN A 36 -5.655 13.424 -5.102 1.00 0.89 H new ATOM 0 HB3 GLN A 36 -5.464 15.071 -5.669 1.00 0.89 H new ATOM 0 HG2 GLN A 36 -8.102 13.561 -5.904 1.00 1.25 H new ATOM 0 HG3 GLN A 36 -7.682 14.497 -4.483 1.00 1.25 H new ATOM 0 HE21 GLN A 36 -8.785 14.671 -7.833 1.00 2.57 H new ATOM 0 HE22 GLN A 36 -8.980 16.427 -7.878 1.00 2.57 H new ATOM 623 N LEU A 37 -3.374 13.068 -7.612 1.00 0.68 N ATOM 624 CA LEU A 37 -2.003 13.244 -8.107 1.00 0.70 C ATOM 625 C LEU A 37 -1.787 12.636 -9.508 1.00 0.72 C ATOM 626 O LEU A 37 -0.694 12.767 -10.062 1.00 0.79 O ATOM 627 CB LEU A 37 -1.029 12.615 -7.089 1.00 0.75 C ATOM 628 CG LEU A 37 -1.215 13.059 -5.622 1.00 0.86 C ATOM 629 CD1 LEU A 37 -0.193 12.341 -4.732 1.00 1.16 C ATOM 630 CD2 LEU A 37 -1.110 14.580 -5.443 1.00 1.15 C ATOM 0 H LEU A 37 -3.525 12.166 -7.161 1.00 0.68 H new ATOM 0 HA LEU A 37 -1.815 14.313 -8.210 1.00 0.70 H new ATOM 0 HB2 LEU A 37 -1.132 11.531 -7.137 1.00 0.75 H new ATOM 0 HB3 LEU A 37 -0.010 12.852 -7.395 1.00 0.75 H new ATOM 0 HG LEU A 37 -2.226 12.781 -5.323 1.00 0.86 H new ATOM 0 HD11 LEU A 37 -0.327 12.656 -3.697 1.00 1.16 H new ATOM 0 HD12 LEU A 37 -0.340 11.263 -4.805 1.00 1.16 H new ATOM 0 HD13 LEU A 37 0.816 12.592 -5.060 1.00 1.16 H new ATOM 0 HD21 LEU A 37 -1.249 14.833 -4.392 1.00 1.15 H new ATOM 0 HD22 LEU A 37 -0.127 14.918 -5.771 1.00 1.15 H new ATOM 0 HD23 LEU A 37 -1.880 15.070 -6.039 1.00 1.15 H new ATOM 642 N GLU A 38 -2.816 12.005 -10.091 1.00 0.71 N ATOM 643 CA GLU A 38 -2.812 11.359 -11.414 1.00 0.77 C ATOM 644 C GLU A 38 -1.656 10.347 -11.603 1.00 0.68 C ATOM 645 O GLU A 38 -1.066 10.248 -12.682 1.00 0.91 O ATOM 646 CB GLU A 38 -2.884 12.408 -12.544 1.00 0.99 C ATOM 647 CG GLU A 38 -4.147 13.277 -12.468 1.00 1.80 C ATOM 648 CD GLU A 38 -4.308 14.132 -13.735 1.00 2.03 C ATOM 649 OE1 GLU A 38 -3.516 15.082 -13.940 1.00 2.46 O ATOM 650 OE2 GLU A 38 -5.238 13.867 -14.535 1.00 2.56 O ATOM 0 H GLU A 38 -3.722 11.927 -9.629 1.00 0.71 H new ATOM 0 HA GLU A 38 -3.718 10.756 -11.472 1.00 0.77 H new ATOM 0 HB2 GLU A 38 -2.004 13.049 -12.495 1.00 0.99 H new ATOM 0 HB3 GLU A 38 -2.855 11.900 -13.508 1.00 0.99 H new ATOM 0 HG2 GLU A 38 -5.023 12.641 -12.341 1.00 1.80 H new ATOM 0 HG3 GLU A 38 -4.094 13.925 -11.593 1.00 1.80 H new ATOM 657 N TYR A 39 -1.302 9.599 -10.550 1.00 0.49 N ATOM 658 CA TYR A 39 -0.153 8.680 -10.555 1.00 0.50 C ATOM 659 C TYR A 39 -0.305 7.513 -11.552 1.00 0.46 C ATOM 660 O TYR A 39 0.545 7.328 -12.428 1.00 0.52 O ATOM 661 CB TYR A 39 0.048 8.134 -9.127 1.00 0.55 C ATOM 662 CG TYR A 39 0.979 8.895 -8.197 1.00 0.71 C ATOM 663 CD1 TYR A 39 1.308 10.250 -8.414 1.00 2.23 C ATOM 664 CD2 TYR A 39 1.530 8.216 -7.091 1.00 1.81 C ATOM 665 CE1 TYR A 39 2.187 10.915 -7.540 1.00 2.40 C ATOM 666 CE2 TYR A 39 2.402 8.878 -6.205 1.00 1.87 C ATOM 667 CZ TYR A 39 2.734 10.233 -6.432 1.00 1.21 C ATOM 668 OH TYR A 39 3.579 10.888 -5.592 1.00 1.52 O ATOM 0 H TYR A 39 -1.807 9.614 -9.664 1.00 0.49 H new ATOM 0 HA TYR A 39 0.719 9.246 -10.884 1.00 0.50 H new ATOM 0 HB2 TYR A 39 -0.930 8.080 -8.649 1.00 0.55 H new ATOM 0 HB3 TYR A 39 0.420 7.113 -9.209 1.00 0.55 H new ATOM 0 HD1 TYR A 39 0.883 10.779 -9.255 1.00 2.23 H new ATOM 0 HD2 TYR A 39 1.281 7.179 -6.922 1.00 1.81 H new ATOM 0 HE1 TYR A 39 2.444 11.949 -7.717 1.00 2.40 H new ATOM 0 HE2 TYR A 39 2.815 8.353 -5.356 1.00 1.87 H new ATOM 0 HH TYR A 39 3.287 10.757 -4.666 1.00 1.52 H new ATOM 678 N ASP A 40 -1.366 6.717 -11.376 1.00 0.44 N ATOM 679 CA ASP A 40 -1.598 5.386 -11.961 1.00 0.50 C ATOM 680 C ASP A 40 -2.779 4.720 -11.234 1.00 0.46 C ATOM 681 O ASP A 40 -3.925 4.807 -11.672 1.00 0.51 O ATOM 682 CB ASP A 40 -0.325 4.496 -11.875 1.00 0.76 C ATOM 683 CG ASP A 40 0.388 4.157 -13.181 1.00 1.11 C ATOM 684 OD1 ASP A 40 -0.099 4.495 -14.285 1.00 1.92 O ATOM 685 OD2 ASP A 40 1.427 3.474 -13.039 1.00 2.18 O ATOM 0 H ASP A 40 -2.142 7.004 -10.779 1.00 0.44 H new ATOM 0 HA ASP A 40 -1.836 5.501 -13.018 1.00 0.50 H new ATOM 0 HB2 ASP A 40 0.390 4.995 -11.221 1.00 0.76 H new ATOM 0 HB3 ASP A 40 -0.601 3.560 -11.390 1.00 0.76 H new ATOM 690 N TYR A 41 -2.469 4.057 -10.116 1.00 0.53 N ATOM 691 CA TYR A 41 -3.292 3.095 -9.392 1.00 0.50 C ATOM 692 C TYR A 41 -2.775 2.921 -7.952 1.00 0.48 C ATOM 693 O TYR A 41 -1.599 3.154 -7.649 1.00 0.43 O ATOM 694 CB TYR A 41 -3.258 1.730 -10.106 1.00 0.47 C ATOM 695 CG TYR A 41 -3.953 1.622 -11.453 1.00 0.54 C ATOM 696 CD1 TYR A 41 -5.330 1.901 -11.563 1.00 2.44 C ATOM 697 CD2 TYR A 41 -3.247 1.142 -12.578 1.00 1.85 C ATOM 698 CE1 TYR A 41 -5.995 1.729 -12.792 1.00 2.53 C ATOM 699 CE2 TYR A 41 -3.911 0.951 -13.805 1.00 1.84 C ATOM 700 CZ TYR A 41 -5.287 1.251 -13.917 1.00 0.76 C ATOM 701 OH TYR A 41 -5.935 1.038 -15.097 1.00 0.89 O ATOM 0 H TYR A 41 -1.566 4.192 -9.662 1.00 0.53 H new ATOM 0 HA TYR A 41 -4.315 3.471 -9.365 1.00 0.50 H new ATOM 0 HB2 TYR A 41 -2.214 1.449 -10.243 1.00 0.47 H new ATOM 0 HB3 TYR A 41 -3.702 0.991 -9.439 1.00 0.47 H new ATOM 0 HD1 TYR A 41 -5.878 2.249 -10.700 1.00 2.44 H new ATOM 0 HD2 TYR A 41 -2.193 0.920 -12.497 1.00 1.85 H new ATOM 0 HE1 TYR A 41 -7.046 1.962 -12.875 1.00 2.53 H new ATOM 0 HE2 TYR A 41 -3.369 0.575 -14.660 1.00 1.84 H new ATOM 0 HH TYR A 41 -5.298 0.710 -15.766 1.00 0.89 H new ATOM 711 N TYR A 42 -3.660 2.437 -7.086 1.00 0.53 N ATOM 712 CA TYR A 42 -3.405 2.065 -5.695 1.00 0.48 C ATOM 713 C TYR A 42 -3.600 0.552 -5.493 1.00 0.38 C ATOM 714 O TYR A 42 -4.302 -0.105 -6.262 1.00 0.37 O ATOM 715 CB TYR A 42 -4.385 2.829 -4.786 1.00 0.63 C ATOM 716 CG TYR A 42 -5.815 2.330 -4.915 1.00 1.35 C ATOM 717 CD1 TYR A 42 -6.590 2.711 -6.028 1.00 2.58 C ATOM 718 CD2 TYR A 42 -6.330 1.399 -3.990 1.00 2.27 C ATOM 719 CE1 TYR A 42 -7.864 2.151 -6.226 1.00 3.57 C ATOM 720 CE2 TYR A 42 -7.596 0.820 -4.195 1.00 3.05 C ATOM 721 CZ TYR A 42 -8.360 1.183 -5.328 1.00 3.48 C ATOM 722 OH TYR A 42 -9.559 0.586 -5.571 1.00 4.57 O ATOM 0 H TYR A 42 -4.633 2.284 -7.351 1.00 0.53 H new ATOM 0 HA TYR A 42 -2.376 2.320 -5.443 1.00 0.48 H new ATOM 0 HB2 TYR A 42 -4.063 2.732 -3.749 1.00 0.63 H new ATOM 0 HB3 TYR A 42 -4.351 3.890 -5.033 1.00 0.63 H new ATOM 0 HD1 TYR A 42 -6.204 3.435 -6.731 1.00 2.58 H new ATOM 0 HD2 TYR A 42 -5.750 1.129 -3.120 1.00 2.27 H new ATOM 0 HE1 TYR A 42 -8.465 2.463 -7.068 1.00 3.57 H new ATOM 0 HE2 TYR A 42 -7.983 0.100 -3.489 1.00 3.05 H new ATOM 0 HH TYR A 42 -10.196 0.834 -4.869 1.00 4.57 H new ATOM 732 N SER A 43 -3.067 0.012 -4.408 1.00 0.40 N ATOM 733 CA SER A 43 -3.444 -1.294 -3.874 1.00 0.43 C ATOM 734 C SER A 43 -3.443 -1.251 -2.338 1.00 0.47 C ATOM 735 O SER A 43 -2.529 -0.684 -1.736 1.00 0.43 O ATOM 736 CB SER A 43 -2.464 -2.357 -4.381 1.00 0.50 C ATOM 737 OG SER A 43 -2.802 -3.634 -3.866 1.00 1.88 O ATOM 0 H SER A 43 -2.344 0.477 -3.860 1.00 0.40 H new ATOM 0 HA SER A 43 -4.448 -1.549 -4.213 1.00 0.43 H new ATOM 0 HB2 SER A 43 -2.479 -2.383 -5.471 1.00 0.50 H new ATOM 0 HB3 SER A 43 -1.449 -2.096 -4.082 1.00 0.50 H new ATOM 0 HG SER A 43 -2.167 -4.301 -4.201 1.00 1.88 H new ATOM 743 N LEU A 44 -4.451 -1.865 -1.712 1.00 0.64 N ATOM 744 CA LEU A 44 -4.622 -2.029 -0.264 1.00 0.75 C ATOM 745 C LEU A 44 -4.668 -3.530 0.026 1.00 0.79 C ATOM 746 O LEU A 44 -5.373 -4.266 -0.663 1.00 0.83 O ATOM 747 CB LEU A 44 -5.921 -1.301 0.166 1.00 0.86 C ATOM 748 CG LEU A 44 -6.391 -1.541 1.627 1.00 0.97 C ATOM 749 CD1 LEU A 44 -7.042 -0.279 2.203 1.00 2.27 C ATOM 750 CD2 LEU A 44 -7.398 -2.683 1.759 1.00 1.65 C ATOM 0 H LEU A 44 -5.218 -2.288 -2.235 1.00 0.64 H new ATOM 0 HA LEU A 44 -3.801 -1.592 0.304 1.00 0.75 H new ATOM 0 HB2 LEU A 44 -5.776 -0.230 0.024 1.00 0.86 H new ATOM 0 HB3 LEU A 44 -6.723 -1.606 -0.506 1.00 0.86 H new ATOM 0 HG LEU A 44 -5.490 -1.807 2.179 1.00 0.97 H new ATOM 0 HD11 LEU A 44 -7.363 -0.470 3.227 1.00 2.27 H new ATOM 0 HD12 LEU A 44 -6.321 0.538 2.196 1.00 2.27 H new ATOM 0 HD13 LEU A 44 -7.906 -0.006 1.597 1.00 2.27 H new ATOM 0 HD21 LEU A 44 -7.684 -2.797 2.805 1.00 1.65 H new ATOM 0 HD22 LEU A 44 -8.283 -2.459 1.163 1.00 1.65 H new ATOM 0 HD23 LEU A 44 -6.946 -3.609 1.404 1.00 1.65 H new ATOM 762 N CYS A 45 -3.936 -3.988 1.043 1.00 0.78 N ATOM 763 CA CYS A 45 -3.867 -5.396 1.436 1.00 0.69 C ATOM 764 C CYS A 45 -3.960 -5.548 2.964 1.00 0.61 C ATOM 765 O CYS A 45 -3.395 -4.759 3.723 1.00 0.63 O ATOM 766 CB CYS A 45 -2.589 -5.997 0.832 1.00 0.76 C ATOM 767 SG CYS A 45 -2.492 -7.775 1.186 1.00 1.21 S ATOM 0 H CYS A 45 -3.364 -3.379 1.628 1.00 0.78 H new ATOM 0 HA CYS A 45 -4.720 -5.952 1.046 1.00 0.69 H new ATOM 0 HB2 CYS A 45 -2.578 -5.834 -0.246 1.00 0.76 H new ATOM 0 HB3 CYS A 45 -1.714 -5.491 1.240 1.00 0.76 H new ATOM 0 HG CYS A 45 -3.692 -8.260 1.305 1.00 1.21 H new ATOM 773 N VAL A 46 -4.700 -6.560 3.407 1.00 0.57 N ATOM 774 CA VAL A 46 -5.126 -6.772 4.799 1.00 0.62 C ATOM 775 C VAL A 46 -5.051 -8.256 5.149 1.00 0.72 C ATOM 776 O VAL A 46 -5.380 -9.106 4.322 1.00 0.78 O ATOM 777 CB VAL A 46 -6.560 -6.237 5.072 1.00 0.69 C ATOM 778 CG1 VAL A 46 -6.497 -4.841 5.713 1.00 2.48 C ATOM 779 CG2 VAL A 46 -7.472 -6.172 3.832 1.00 2.07 C ATOM 0 H VAL A 46 -5.038 -7.292 2.782 1.00 0.57 H new ATOM 0 HA VAL A 46 -4.443 -6.206 5.432 1.00 0.62 H new ATOM 0 HB VAL A 46 -7.006 -6.965 5.749 1.00 0.69 H new ATOM 0 HG11 VAL A 46 -7.509 -4.480 5.898 1.00 2.48 H new ATOM 0 HG12 VAL A 46 -5.954 -4.898 6.656 1.00 2.48 H new ATOM 0 HG13 VAL A 46 -5.984 -4.154 5.040 1.00 2.48 H new ATOM 0 HG21 VAL A 46 -8.450 -5.787 4.120 1.00 2.07 H new ATOM 0 HG22 VAL A 46 -7.027 -5.512 3.087 1.00 2.07 H new ATOM 0 HG23 VAL A 46 -7.585 -7.171 3.410 1.00 2.07 H new ATOM 789 N ARG A 47 -4.596 -8.559 6.369 1.00 0.76 N ATOM 790 CA ARG A 47 -4.230 -9.912 6.800 1.00 0.76 C ATOM 791 C ARG A 47 -4.501 -10.095 8.295 1.00 0.79 C ATOM 792 O ARG A 47 -3.960 -9.369 9.130 1.00 0.82 O ATOM 793 CB ARG A 47 -2.745 -10.116 6.457 1.00 0.86 C ATOM 794 CG ARG A 47 -2.217 -11.533 6.719 1.00 1.56 C ATOM 795 CD ARG A 47 -0.742 -11.582 6.300 1.00 1.35 C ATOM 796 NE ARG A 47 -0.238 -12.957 6.154 1.00 2.34 N ATOM 797 CZ ARG A 47 1.019 -13.291 5.878 1.00 2.58 C ATOM 798 NH1 ARG A 47 1.990 -12.400 5.846 1.00 2.37 N ATOM 799 NH2 ARG A 47 1.321 -14.544 5.619 1.00 3.58 N ATOM 0 H ARG A 47 -4.469 -7.857 7.098 1.00 0.76 H new ATOM 0 HA ARG A 47 -4.832 -10.661 6.286 1.00 0.76 H new ATOM 0 HB2 ARG A 47 -2.592 -9.874 5.405 1.00 0.86 H new ATOM 0 HB3 ARG A 47 -2.151 -9.409 7.036 1.00 0.86 H new ATOM 0 HG2 ARG A 47 -2.321 -11.788 7.774 1.00 1.56 H new ATOM 0 HG3 ARG A 47 -2.796 -12.264 6.156 1.00 1.56 H new ATOM 0 HD2 ARG A 47 -0.619 -11.052 5.355 1.00 1.35 H new ATOM 0 HD3 ARG A 47 -0.140 -11.056 7.041 1.00 1.35 H new ATOM 0 HE ARG A 47 -0.908 -13.716 6.274 1.00 2.34 H new ATOM 0 HH11 ARG A 47 1.788 -11.419 6.037 1.00 2.37 H new ATOM 0 HH12 ARG A 47 2.943 -12.692 5.631 1.00 2.37 H new ATOM 0 HH21 ARG A 47 0.592 -15.257 5.630 1.00 3.58 H new ATOM 0 HH22 ARG A 47 2.284 -14.803 5.407 1.00 3.58 H new ATOM 813 N HIS A 48 -5.315 -11.086 8.650 1.00 0.86 N ATOM 814 CA HIS A 48 -5.595 -11.422 10.049 1.00 0.90 C ATOM 815 C HIS A 48 -4.956 -12.772 10.457 1.00 0.89 C ATOM 816 O HIS A 48 -5.467 -13.838 10.092 1.00 0.96 O ATOM 817 CB HIS A 48 -7.097 -11.282 10.371 1.00 1.08 C ATOM 818 CG HIS A 48 -8.155 -12.001 9.560 1.00 2.14 C ATOM 819 ND1 HIS A 48 -9.503 -11.741 9.670 1.00 2.97 N ATOM 820 CD2 HIS A 48 -8.022 -13.021 8.651 1.00 3.38 C ATOM 821 CE1 HIS A 48 -10.165 -12.591 8.867 1.00 4.31 C ATOM 822 NE2 HIS A 48 -9.303 -13.393 8.217 1.00 4.66 N ATOM 0 H HIS A 48 -5.800 -11.680 7.978 1.00 0.86 H new ATOM 0 HA HIS A 48 -5.104 -10.689 10.689 1.00 0.90 H new ATOM 0 HB2 HIS A 48 -7.228 -11.593 11.407 1.00 1.08 H new ATOM 0 HB3 HIS A 48 -7.332 -10.219 10.325 1.00 1.08 H new ATOM 0 HD2 HIS A 48 -7.091 -13.461 8.326 1.00 3.38 H new ATOM 0 HE1 HIS A 48 -11.239 -12.625 8.759 1.00 4.31 H new ATOM 0 HE2 HIS A 48 -9.534 -14.124 7.544 1.00 4.66 H new ATOM 830 N PRO A 49 -3.840 -12.770 11.219 1.00 1.01 N ATOM 831 CA PRO A 49 -3.213 -13.989 11.727 1.00 1.22 C ATOM 832 C PRO A 49 -4.015 -14.556 12.917 1.00 1.36 C ATOM 833 O PRO A 49 -3.554 -14.578 14.059 1.00 1.67 O ATOM 834 CB PRO A 49 -1.766 -13.591 12.047 1.00 1.45 C ATOM 835 CG PRO A 49 -1.899 -12.129 12.462 1.00 1.46 C ATOM 836 CD PRO A 49 -3.014 -11.612 11.556 1.00 1.16 C ATOM 0 HA PRO A 49 -3.207 -14.811 11.011 1.00 1.22 H new ATOM 0 HB2 PRO A 49 -1.346 -14.201 12.847 1.00 1.45 H new ATOM 0 HB3 PRO A 49 -1.114 -13.708 11.181 1.00 1.45 H new ATOM 0 HG2 PRO A 49 -2.158 -12.031 13.516 1.00 1.46 H new ATOM 0 HG3 PRO A 49 -0.969 -11.581 12.310 1.00 1.46 H new ATOM 0 HD2 PRO A 49 -3.604 -10.848 12.063 1.00 1.16 H new ATOM 0 HD3 PRO A 49 -2.603 -11.153 10.657 1.00 1.16 H new ATOM 844 N VAL A 50 -5.247 -14.996 12.639 1.00 1.34 N ATOM 845 CA VAL A 50 -6.212 -15.531 13.622 1.00 1.47 C ATOM 846 C VAL A 50 -5.701 -16.872 14.194 1.00 1.62 C ATOM 847 O VAL A 50 -5.182 -17.687 13.429 1.00 1.68 O ATOM 848 CB VAL A 50 -7.600 -15.751 12.970 1.00 1.46 C ATOM 849 CG1 VAL A 50 -8.688 -16.275 13.922 1.00 1.54 C ATOM 850 CG2 VAL A 50 -8.182 -14.478 12.344 1.00 1.43 C ATOM 0 H VAL A 50 -5.619 -14.992 11.689 1.00 1.34 H new ATOM 0 HA VAL A 50 -6.311 -14.802 14.427 1.00 1.47 H new ATOM 0 HB VAL A 50 -7.372 -16.505 12.216 1.00 1.46 H new ATOM 0 HG11 VAL A 50 -9.623 -16.397 13.374 1.00 1.54 H new ATOM 0 HG12 VAL A 50 -8.380 -17.236 14.333 1.00 1.54 H new ATOM 0 HG13 VAL A 50 -8.834 -15.563 14.735 1.00 1.54 H new ATOM 0 HG21 VAL A 50 -9.154 -14.700 11.905 1.00 1.43 H new ATOM 0 HG22 VAL A 50 -8.297 -13.714 13.113 1.00 1.43 H new ATOM 0 HG23 VAL A 50 -7.509 -14.113 11.568 1.00 1.43 H new ATOM 860 N PRO A 51 -5.858 -17.141 15.507 1.00 1.72 N ATOM 861 CA PRO A 51 -5.429 -18.403 16.114 1.00 1.89 C ATOM 862 C PRO A 51 -6.391 -19.567 15.822 1.00 1.94 C ATOM 863 O PRO A 51 -5.966 -20.719 15.746 1.00 2.12 O ATOM 864 CB PRO A 51 -5.348 -18.111 17.617 1.00 1.87 C ATOM 865 CG PRO A 51 -6.347 -16.977 17.841 1.00 1.70 C ATOM 866 CD PRO A 51 -6.356 -16.216 16.516 1.00 1.67 C ATOM 0 HA PRO A 51 -4.475 -18.729 15.700 1.00 1.89 H new ATOM 0 HB2 PRO A 51 -5.607 -18.990 18.207 1.00 1.87 H new ATOM 0 HB3 PRO A 51 -4.340 -17.816 17.910 1.00 1.87 H new ATOM 0 HG2 PRO A 51 -7.337 -17.361 18.086 1.00 1.70 H new ATOM 0 HG3 PRO A 51 -6.041 -16.335 18.667 1.00 1.70 H new ATOM 0 HD2 PRO A 51 -7.362 -15.877 16.269 1.00 1.67 H new ATOM 0 HD3 PRO A 51 -5.726 -15.328 16.574 1.00 1.67 H new ATOM 874 N PHE A 52 -7.681 -19.266 15.659 1.00 1.84 N ATOM 875 CA PHE A 52 -8.777 -20.228 15.500 1.00 1.96 C ATOM 876 C PHE A 52 -8.983 -20.749 14.064 1.00 1.99 C ATOM 877 O PHE A 52 -9.593 -21.808 13.892 1.00 2.28 O ATOM 878 CB PHE A 52 -10.070 -19.569 16.014 1.00 1.92 C ATOM 879 CG PHE A 52 -9.977 -18.870 17.365 1.00 2.08 C ATOM 880 CD1 PHE A 52 -9.289 -19.461 18.445 1.00 3.10 C ATOM 881 CD2 PHE A 52 -10.586 -17.612 17.539 1.00 2.39 C ATOM 882 CE1 PHE A 52 -9.222 -18.804 19.686 1.00 3.26 C ATOM 883 CE2 PHE A 52 -10.515 -16.953 18.779 1.00 2.84 C ATOM 884 CZ PHE A 52 -9.835 -17.551 19.855 1.00 2.78 C ATOM 0 H PHE A 52 -8.007 -18.300 15.633 1.00 1.84 H new ATOM 0 HA PHE A 52 -8.509 -21.111 16.080 1.00 1.96 H new ATOM 0 HB2 PHE A 52 -10.401 -18.841 15.274 1.00 1.92 H new ATOM 0 HB3 PHE A 52 -10.843 -20.335 16.077 1.00 1.92 H new ATOM 0 HD1 PHE A 52 -8.812 -20.422 18.318 1.00 3.10 H new ATOM 0 HD2 PHE A 52 -11.111 -17.151 16.715 1.00 2.39 H new ATOM 0 HE1 PHE A 52 -8.698 -19.263 20.511 1.00 3.26 H new ATOM 0 HE2 PHE A 52 -10.983 -15.988 18.905 1.00 2.84 H new ATOM 0 HZ PHE A 52 -9.784 -17.048 20.809 1.00 2.78 H new ATOM 894 N THR A 53 -8.504 -20.022 13.042 1.00 1.75 N ATOM 895 CA THR A 53 -8.628 -20.375 11.615 1.00 1.77 C ATOM 896 C THR A 53 -7.279 -20.250 10.924 1.00 1.75 C ATOM 897 O THR A 53 -6.482 -19.385 11.290 1.00 1.70 O ATOM 898 CB THR A 53 -9.727 -19.540 10.928 1.00 1.71 C ATOM 899 OG1 THR A 53 -10.300 -20.360 9.934 1.00 2.03 O ATOM 900 CG2 THR A 53 -9.287 -18.239 10.254 1.00 1.64 C ATOM 0 H THR A 53 -8.004 -19.145 13.188 1.00 1.75 H new ATOM 0 HA THR A 53 -8.940 -21.416 11.534 1.00 1.77 H new ATOM 0 HB THR A 53 -10.403 -19.230 11.725 1.00 1.71 H new ATOM 0 HG1 THR A 53 -11.009 -19.866 9.471 1.00 2.03 H new ATOM 0 HG21 THR A 53 -10.153 -17.748 9.810 1.00 1.64 H new ATOM 0 HG22 THR A 53 -8.837 -17.579 10.996 1.00 1.64 H new ATOM 0 HG23 THR A 53 -8.557 -18.461 9.476 1.00 1.64 H new ATOM 908 N ARG A 54 -7.012 -21.082 9.911 1.00 1.95 N ATOM 909 CA ARG A 54 -5.778 -20.963 9.124 1.00 1.97 C ATOM 910 C ARG A 54 -5.816 -19.634 8.339 1.00 1.53 C ATOM 911 O ARG A 54 -6.814 -19.377 7.654 1.00 1.52 O ATOM 912 CB ARG A 54 -5.551 -22.184 8.219 1.00 2.44 C ATOM 913 CG ARG A 54 -5.271 -23.454 9.041 1.00 2.92 C ATOM 914 CD ARG A 54 -3.954 -23.396 9.836 1.00 3.49 C ATOM 915 NE ARG A 54 -2.801 -23.867 9.049 1.00 4.39 N ATOM 916 CZ ARG A 54 -1.519 -23.715 9.370 1.00 5.26 C ATOM 917 NH1 ARG A 54 -1.139 -23.117 10.481 1.00 5.29 N ATOM 918 NH2 ARG A 54 -0.586 -24.170 8.561 1.00 6.40 N ATOM 0 H ARG A 54 -7.628 -21.840 9.618 1.00 1.95 H new ATOM 0 HA ARG A 54 -4.920 -20.945 9.796 1.00 1.97 H new ATOM 0 HB2 ARG A 54 -6.429 -22.342 7.593 1.00 2.44 H new ATOM 0 HB3 ARG A 54 -4.713 -21.991 7.550 1.00 2.44 H new ATOM 0 HG2 ARG A 54 -6.097 -23.618 9.733 1.00 2.92 H new ATOM 0 HG3 ARG A 54 -5.243 -24.312 8.370 1.00 2.92 H new ATOM 0 HD2 ARG A 54 -3.774 -22.371 10.161 1.00 3.49 H new ATOM 0 HD3 ARG A 54 -4.049 -24.004 10.736 1.00 3.49 H new ATOM 0 HE ARG A 54 -3.005 -24.355 8.177 1.00 4.39 H new ATOM 0 HH11 ARG A 54 -1.838 -22.752 11.128 1.00 5.29 H new ATOM 0 HH12 ARG A 54 -0.146 -23.019 10.694 1.00 5.29 H new ATOM 0 HH21 ARG A 54 -0.847 -24.637 7.692 1.00 6.40 H new ATOM 0 HH22 ARG A 54 0.398 -24.056 8.803 1.00 6.40 H new ATOM 932 N PRO A 55 -4.797 -18.764 8.487 1.00 1.41 N ATOM 933 CA PRO A 55 -4.958 -17.327 8.292 1.00 1.07 C ATOM 934 C PRO A 55 -5.084 -16.934 6.820 1.00 1.03 C ATOM 935 O PRO A 55 -4.620 -17.638 5.923 1.00 1.27 O ATOM 936 CB PRO A 55 -3.756 -16.681 8.981 1.00 1.43 C ATOM 937 CG PRO A 55 -2.682 -17.763 8.916 1.00 1.90 C ATOM 938 CD PRO A 55 -3.497 -19.044 9.081 1.00 1.85 C ATOM 0 HA PRO A 55 -5.894 -16.976 8.727 1.00 1.07 H new ATOM 0 HB2 PRO A 55 -3.441 -15.772 8.469 1.00 1.43 H new ATOM 0 HB3 PRO A 55 -3.985 -16.404 10.010 1.00 1.43 H new ATOM 0 HG2 PRO A 55 -2.143 -17.744 7.969 1.00 1.90 H new ATOM 0 HG3 PRO A 55 -1.941 -17.648 9.707 1.00 1.90 H new ATOM 0 HD2 PRO A 55 -3.012 -19.883 8.583 1.00 1.85 H new ATOM 0 HD3 PRO A 55 -3.597 -19.312 10.133 1.00 1.85 H new ATOM 946 N LYS A 56 -5.741 -15.794 6.593 1.00 0.83 N ATOM 947 CA LYS A 56 -6.171 -15.326 5.268 1.00 0.80 C ATOM 948 C LYS A 56 -5.526 -13.983 4.883 1.00 0.67 C ATOM 949 O LYS A 56 -5.246 -13.152 5.752 1.00 0.74 O ATOM 950 CB LYS A 56 -7.709 -15.186 5.242 1.00 0.96 C ATOM 951 CG LYS A 56 -8.516 -16.416 5.698 1.00 1.42 C ATOM 952 CD LYS A 56 -8.280 -17.663 4.834 1.00 2.31 C ATOM 953 CE LYS A 56 -9.159 -18.812 5.344 1.00 3.25 C ATOM 954 NZ LYS A 56 -8.968 -20.051 4.546 1.00 4.67 N ATOM 0 H LYS A 56 -5.997 -15.152 7.344 1.00 0.83 H new ATOM 0 HA LYS A 56 -5.845 -16.067 4.539 1.00 0.80 H new ATOM 0 HB2 LYS A 56 -7.986 -14.342 5.874 1.00 0.96 H new ATOM 0 HB3 LYS A 56 -8.012 -14.936 4.225 1.00 0.96 H new ATOM 0 HG2 LYS A 56 -8.258 -16.647 6.732 1.00 1.42 H new ATOM 0 HG3 LYS A 56 -9.578 -16.169 5.682 1.00 1.42 H new ATOM 0 HD2 LYS A 56 -8.515 -17.446 3.792 1.00 2.31 H new ATOM 0 HD3 LYS A 56 -7.229 -17.951 4.871 1.00 2.31 H new ATOM 0 HE2 LYS A 56 -8.923 -19.013 6.389 1.00 3.25 H new ATOM 0 HE3 LYS A 56 -10.206 -18.513 5.305 1.00 3.25 H new ATOM 0 HZ1 LYS A 56 -9.579 -20.804 4.922 1.00 4.67 H new ATOM 0 HZ2 LYS A 56 -9.217 -19.866 3.553 1.00 4.67 H new ATOM 0 HZ3 LYS A 56 -7.974 -20.351 4.604 1.00 4.67 H new ATOM 968 N VAL A 57 -5.350 -13.754 3.578 1.00 0.65 N ATOM 969 CA VAL A 57 -4.898 -12.483 2.984 1.00 0.58 C ATOM 970 C VAL A 57 -5.972 -11.988 2.008 1.00 0.54 C ATOM 971 O VAL A 57 -6.428 -12.741 1.146 1.00 0.65 O ATOM 972 CB VAL A 57 -3.546 -12.629 2.238 1.00 0.64 C ATOM 973 CG1 VAL A 57 -3.024 -11.255 1.789 1.00 1.84 C ATOM 974 CG2 VAL A 57 -2.457 -13.285 3.104 1.00 1.90 C ATOM 0 H VAL A 57 -5.524 -14.473 2.876 1.00 0.65 H new ATOM 0 HA VAL A 57 -4.745 -11.767 3.791 1.00 0.58 H new ATOM 0 HB VAL A 57 -3.747 -13.270 1.380 1.00 0.64 H new ATOM 0 HG11 VAL A 57 -2.075 -11.379 1.268 1.00 1.84 H new ATOM 0 HG12 VAL A 57 -3.748 -10.792 1.119 1.00 1.84 H new ATOM 0 HG13 VAL A 57 -2.878 -10.618 2.662 1.00 1.84 H new ATOM 0 HG21 VAL A 57 -1.533 -13.361 2.531 1.00 1.90 H new ATOM 0 HG22 VAL A 57 -2.284 -12.678 3.992 1.00 1.90 H new ATOM 0 HG23 VAL A 57 -2.782 -14.281 3.404 1.00 1.90 H new ATOM 984 N ALA A 58 -6.363 -10.721 2.149 1.00 0.48 N ATOM 985 CA ALA A 58 -7.302 -10.010 1.285 1.00 0.48 C ATOM 986 C ALA A 58 -6.642 -8.754 0.687 1.00 0.45 C ATOM 987 O ALA A 58 -5.772 -8.138 1.312 1.00 0.42 O ATOM 988 CB ALA A 58 -8.553 -9.672 2.110 1.00 0.57 C ATOM 0 H ALA A 58 -6.015 -10.135 2.908 1.00 0.48 H new ATOM 0 HA ALA A 58 -7.595 -10.635 0.442 1.00 0.48 H new ATOM 0 HB1 ALA A 58 -9.269 -9.140 1.484 1.00 0.57 H new ATOM 0 HB2 ALA A 58 -9.006 -10.593 2.477 1.00 0.57 H new ATOM 0 HB3 ALA A 58 -8.273 -9.043 2.955 1.00 0.57 H new ATOM 994 N PHE A 59 -7.059 -8.383 -0.524 1.00 0.55 N ATOM 995 CA PHE A 59 -6.446 -7.324 -1.330 1.00 0.50 C ATOM 996 C PHE A 59 -7.456 -6.677 -2.288 1.00 0.42 C ATOM 997 O PHE A 59 -8.340 -7.338 -2.834 1.00 0.44 O ATOM 998 CB PHE A 59 -5.198 -7.850 -2.070 1.00 0.54 C ATOM 999 CG PHE A 59 -5.297 -9.280 -2.578 1.00 0.69 C ATOM 1000 CD1 PHE A 59 -6.025 -9.586 -3.745 1.00 1.45 C ATOM 1001 CD2 PHE A 59 -4.692 -10.320 -1.846 1.00 2.33 C ATOM 1002 CE1 PHE A 59 -6.167 -10.923 -4.159 1.00 1.40 C ATOM 1003 CE2 PHE A 59 -4.839 -11.656 -2.253 1.00 2.57 C ATOM 1004 CZ PHE A 59 -5.587 -11.959 -3.405 1.00 1.23 C ATOM 0 H PHE A 59 -7.855 -8.823 -0.985 1.00 0.55 H new ATOM 0 HA PHE A 59 -6.118 -6.537 -0.651 1.00 0.50 H new ATOM 0 HB2 PHE A 59 -4.995 -7.194 -2.917 1.00 0.54 H new ATOM 0 HB3 PHE A 59 -4.342 -7.779 -1.399 1.00 0.54 H new ATOM 0 HD1 PHE A 59 -6.475 -8.792 -4.323 1.00 1.45 H new ATOM 0 HD2 PHE A 59 -4.111 -10.088 -0.966 1.00 2.33 H new ATOM 0 HE1 PHE A 59 -6.722 -11.154 -5.056 1.00 1.40 H new ATOM 0 HE2 PHE A 59 -4.379 -12.449 -1.683 1.00 2.57 H new ATOM 0 HZ PHE A 59 -5.716 -12.987 -3.710 1.00 1.23 H new ATOM 1014 N TYR A 60 -7.305 -5.365 -2.480 1.00 0.41 N ATOM 1015 CA TYR A 60 -8.233 -4.486 -3.199 1.00 0.46 C ATOM 1016 C TYR A 60 -7.465 -3.437 -4.022 1.00 0.48 C ATOM 1017 O TYR A 60 -6.494 -2.847 -3.539 1.00 0.53 O ATOM 1018 CB TYR A 60 -9.164 -3.802 -2.185 1.00 0.58 C ATOM 1019 CG TYR A 60 -9.942 -4.778 -1.322 1.00 0.63 C ATOM 1020 CD1 TYR A 60 -11.018 -5.497 -1.876 1.00 2.30 C ATOM 1021 CD2 TYR A 60 -9.551 -5.018 0.010 1.00 1.73 C ATOM 1022 CE1 TYR A 60 -11.699 -6.457 -1.105 1.00 2.45 C ATOM 1023 CE2 TYR A 60 -10.244 -5.956 0.797 1.00 1.64 C ATOM 1024 CZ TYR A 60 -11.317 -6.686 0.238 1.00 0.86 C ATOM 1025 OH TYR A 60 -11.972 -7.614 0.992 1.00 1.00 O ATOM 0 H TYR A 60 -6.494 -4.861 -2.122 1.00 0.41 H new ATOM 0 HA TYR A 60 -8.827 -5.081 -3.893 1.00 0.46 H new ATOM 0 HB2 TYR A 60 -8.572 -3.152 -1.541 1.00 0.58 H new ATOM 0 HB3 TYR A 60 -9.866 -3.164 -2.722 1.00 0.58 H new ATOM 0 HD1 TYR A 60 -11.322 -5.311 -2.896 1.00 2.30 H new ATOM 0 HD2 TYR A 60 -8.714 -4.479 0.429 1.00 1.73 H new ATOM 0 HE1 TYR A 60 -12.513 -7.019 -1.538 1.00 2.45 H new ATOM 0 HE2 TYR A 60 -9.957 -6.118 1.825 1.00 1.64 H new ATOM 0 HH TYR A 60 -11.579 -7.642 1.889 1.00 1.00 H new ATOM 1035 N THR A 61 -7.904 -3.196 -5.262 1.00 0.48 N ATOM 1036 CA THR A 61 -7.208 -2.377 -6.268 1.00 0.48 C ATOM 1037 C THR A 61 -8.116 -2.095 -7.460 1.00 0.55 C ATOM 1038 O THR A 61 -9.059 -2.844 -7.724 1.00 0.62 O ATOM 1039 CB THR A 61 -5.888 -3.040 -6.699 1.00 0.44 C ATOM 1040 OG1 THR A 61 -5.248 -2.213 -7.634 1.00 0.74 O ATOM 1041 CG2 THR A 61 -6.063 -4.407 -7.359 1.00 0.61 C ATOM 0 H THR A 61 -8.784 -3.578 -5.608 1.00 0.48 H new ATOM 0 HA THR A 61 -6.956 -1.418 -5.815 1.00 0.48 H new ATOM 0 HB THR A 61 -5.311 -3.181 -5.785 1.00 0.44 H new ATOM 0 HG1 THR A 61 -4.708 -2.762 -8.241 1.00 0.74 H new ATOM 0 HG21 THR A 61 -5.087 -4.806 -7.633 1.00 0.61 H new ATOM 0 HG22 THR A 61 -6.551 -5.088 -6.662 1.00 0.61 H new ATOM 0 HG23 THR A 61 -6.677 -4.303 -8.254 1.00 0.61 H new ATOM 1049 N ASN A 62 -7.806 -1.021 -8.185 1.00 0.59 N ATOM 1050 CA ASN A 62 -8.435 -0.664 -9.463 1.00 0.71 C ATOM 1051 C ASN A 62 -7.550 -1.026 -10.680 1.00 0.59 C ATOM 1052 O ASN A 62 -7.788 -0.554 -11.793 1.00 0.60 O ATOM 1053 CB ASN A 62 -8.840 0.818 -9.408 1.00 0.94 C ATOM 1054 CG ASN A 62 -9.811 1.254 -10.507 1.00 1.63 C ATOM 1055 OD1 ASN A 62 -10.566 0.470 -11.073 1.00 2.27 O ATOM 1056 ND2 ASN A 62 -9.847 2.540 -10.808 1.00 2.23 N ATOM 0 H ASN A 62 -7.091 -0.354 -7.894 1.00 0.59 H new ATOM 0 HA ASN A 62 -9.336 -1.260 -9.609 1.00 0.71 H new ATOM 0 HB2 ASN A 62 -9.294 1.021 -8.438 1.00 0.94 H new ATOM 0 HB3 ASN A 62 -7.940 1.430 -9.473 1.00 0.94 H new ATOM 0 HD21 ASN A 62 -10.503 2.881 -11.511 1.00 2.23 H new ATOM 0 HD22 ASN A 62 -9.219 3.192 -10.337 1.00 2.23 H new ATOM 1063 N TYR A 63 -6.534 -1.884 -10.495 1.00 0.51 N ATOM 1064 CA TYR A 63 -5.676 -2.401 -11.572 1.00 0.45 C ATOM 1065 C TYR A 63 -6.483 -3.027 -12.740 1.00 0.46 C ATOM 1066 O TYR A 63 -7.578 -3.560 -12.513 1.00 0.50 O ATOM 1067 CB TYR A 63 -4.764 -3.503 -11.000 1.00 0.42 C ATOM 1068 CG TYR A 63 -3.596 -3.127 -10.100 1.00 0.41 C ATOM 1069 CD1 TYR A 63 -3.021 -1.841 -10.107 1.00 1.68 C ATOM 1070 CD2 TYR A 63 -3.076 -4.113 -9.237 1.00 1.76 C ATOM 1071 CE1 TYR A 63 -2.004 -1.513 -9.189 1.00 1.69 C ATOM 1072 CE2 TYR A 63 -2.055 -3.794 -8.322 1.00 1.78 C ATOM 1073 CZ TYR A 63 -1.523 -2.486 -8.286 1.00 0.46 C ATOM 1074 OH TYR A 63 -0.546 -2.172 -7.389 1.00 0.55 O ATOM 0 H TYR A 63 -6.282 -2.244 -9.575 1.00 0.51 H new ATOM 0 HA TYR A 63 -5.111 -1.553 -11.960 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -5.397 -4.191 -10.440 1.00 0.42 H new ATOM 0 HB3 TYR A 63 -4.358 -4.059 -11.845 1.00 0.42 H new ATOM 0 HD1 TYR A 63 -3.361 -1.104 -10.819 1.00 1.68 H new ATOM 0 HD2 TYR A 63 -3.464 -5.120 -9.278 1.00 1.76 H new ATOM 0 HE1 TYR A 63 -1.591 -0.515 -9.176 1.00 1.69 H new ATOM 0 HE2 TYR A 63 -1.679 -4.549 -7.648 1.00 1.78 H new ATOM 0 HH TYR A 63 -0.336 -2.960 -6.845 1.00 0.55 H new ATOM 1084 N PRO A 64 -5.943 -3.008 -13.979 1.00 0.44 N ATOM 1085 CA PRO A 64 -6.606 -3.574 -15.145 1.00 0.46 C ATOM 1086 C PRO A 64 -6.700 -5.098 -15.012 1.00 0.45 C ATOM 1087 O PRO A 64 -5.769 -5.742 -14.525 1.00 0.42 O ATOM 1088 CB PRO A 64 -5.780 -3.145 -16.364 1.00 0.47 C ATOM 1089 CG PRO A 64 -4.394 -2.839 -15.799 1.00 0.44 C ATOM 1090 CD PRO A 64 -4.672 -2.411 -14.362 1.00 0.43 C ATOM 0 HA PRO A 64 -7.630 -3.216 -15.247 1.00 0.46 H new ATOM 0 HB2 PRO A 64 -5.738 -3.936 -17.113 1.00 0.47 H new ATOM 0 HB3 PRO A 64 -6.213 -2.270 -16.849 1.00 0.47 H new ATOM 0 HG2 PRO A 64 -3.745 -3.714 -15.837 1.00 0.44 H new ATOM 0 HG3 PRO A 64 -3.898 -2.049 -16.363 1.00 0.44 H new ATOM 0 HD2 PRO A 64 -3.874 -2.745 -13.699 1.00 0.43 H new ATOM 0 HD3 PRO A 64 -4.717 -1.325 -14.285 1.00 0.43 H new ATOM 1098 N GLU A 65 -7.812 -5.688 -15.462 1.00 0.48 N ATOM 1099 CA GLU A 65 -8.078 -7.122 -15.307 1.00 0.51 C ATOM 1100 C GLU A 65 -7.014 -8.003 -15.984 1.00 0.52 C ATOM 1101 O GLU A 65 -6.779 -9.123 -15.542 1.00 0.54 O ATOM 1102 CB GLU A 65 -9.487 -7.454 -15.826 1.00 0.58 C ATOM 1103 CG GLU A 65 -9.589 -7.496 -17.357 1.00 0.59 C ATOM 1104 CD GLU A 65 -11.037 -7.730 -17.813 1.00 0.84 C ATOM 1105 OE1 GLU A 65 -11.456 -8.905 -17.937 1.00 2.28 O ATOM 1106 OE2 GLU A 65 -11.766 -6.739 -18.059 1.00 1.67 O ATOM 0 H GLU A 65 -8.555 -5.183 -15.945 1.00 0.48 H new ATOM 0 HA GLU A 65 -8.026 -7.350 -14.242 1.00 0.51 H new ATOM 0 HB2 GLU A 65 -9.794 -8.420 -15.424 1.00 0.58 H new ATOM 0 HB3 GLU A 65 -10.189 -6.712 -15.445 1.00 0.58 H new ATOM 0 HG2 GLU A 65 -9.221 -6.559 -17.774 1.00 0.59 H new ATOM 0 HG3 GLU A 65 -8.950 -8.290 -17.745 1.00 0.59 H new ATOM 1113 N ALA A 66 -6.332 -7.498 -17.018 1.00 0.52 N ATOM 1114 CA ALA A 66 -5.238 -8.193 -17.695 1.00 0.55 C ATOM 1115 C ALA A 66 -4.015 -8.378 -16.775 1.00 0.50 C ATOM 1116 O ALA A 66 -3.412 -9.451 -16.762 1.00 0.52 O ATOM 1117 CB ALA A 66 -4.897 -7.401 -18.962 1.00 0.58 C ATOM 0 H ALA A 66 -6.530 -6.579 -17.413 1.00 0.52 H new ATOM 0 HA ALA A 66 -5.548 -9.203 -17.965 1.00 0.55 H new ATOM 0 HB1 ALA A 66 -4.082 -7.895 -19.491 1.00 0.58 H new ATOM 0 HB2 ALA A 66 -5.773 -7.353 -19.608 1.00 0.58 H new ATOM 0 HB3 ALA A 66 -4.593 -6.391 -18.689 1.00 0.58 H new ATOM 1123 N TRP A 67 -3.707 -7.374 -15.948 1.00 0.45 N ATOM 1124 CA TRP A 67 -2.651 -7.439 -14.932 1.00 0.41 C ATOM 1125 C TRP A 67 -3.099 -8.257 -13.716 1.00 0.38 C ATOM 1126 O TRP A 67 -2.329 -9.067 -13.204 1.00 0.40 O ATOM 1127 CB TRP A 67 -2.261 -6.015 -14.510 1.00 0.39 C ATOM 1128 CG TRP A 67 -1.289 -5.907 -13.372 1.00 0.40 C ATOM 1129 CD1 TRP A 67 -1.500 -5.182 -12.254 1.00 0.55 C ATOM 1130 CD2 TRP A 67 0.032 -6.513 -13.198 1.00 0.48 C ATOM 1131 NE1 TRP A 67 -0.430 -5.295 -11.397 1.00 0.63 N ATOM 1132 CE2 TRP A 67 0.556 -6.085 -11.936 1.00 0.57 C ATOM 1133 CE3 TRP A 67 0.847 -7.380 -13.964 1.00 0.62 C ATOM 1134 CZ2 TRP A 67 1.825 -6.459 -11.475 1.00 0.71 C ATOM 1135 CZ3 TRP A 67 2.110 -7.776 -13.492 1.00 0.80 C ATOM 1136 CH2 TRP A 67 2.610 -7.302 -12.271 1.00 0.82 C ATOM 0 H TRP A 67 -4.193 -6.477 -15.966 1.00 0.45 H new ATOM 0 HA TRP A 67 -1.784 -7.940 -15.362 1.00 0.41 H new ATOM 0 HB2 TRP A 67 -1.835 -5.505 -15.374 1.00 0.39 H new ATOM 0 HB3 TRP A 67 -3.169 -5.477 -14.238 1.00 0.39 H new ATOM 0 HD1 TRP A 67 -2.385 -4.595 -12.059 1.00 0.55 H new ATOM 0 HE1 TRP A 67 -0.376 -4.850 -10.481 1.00 0.63 H new ATOM 0 HE3 TRP A 67 0.495 -7.740 -14.919 1.00 0.62 H new ATOM 0 HZ2 TRP A 67 2.191 -6.104 -10.523 1.00 0.71 H new ATOM 0 HZ3 TRP A 67 2.706 -8.458 -14.080 1.00 0.80 H new ATOM 0 HH2 TRP A 67 3.599 -7.587 -11.945 1.00 0.82 H new ATOM 1147 N VAL A 68 -4.351 -8.078 -13.285 1.00 0.38 N ATOM 1148 CA VAL A 68 -4.928 -8.796 -12.133 1.00 0.42 C ATOM 1149 C VAL A 68 -5.059 -10.298 -12.432 1.00 0.51 C ATOM 1150 O VAL A 68 -4.729 -11.126 -11.585 1.00 0.54 O ATOM 1151 CB VAL A 68 -6.287 -8.183 -11.724 1.00 0.46 C ATOM 1152 CG1 VAL A 68 -6.977 -8.941 -10.583 1.00 0.52 C ATOM 1153 CG2 VAL A 68 -6.117 -6.728 -11.262 1.00 0.43 C ATOM 0 H VAL A 68 -5.001 -7.427 -13.725 1.00 0.38 H new ATOM 0 HA VAL A 68 -4.248 -8.685 -11.289 1.00 0.42 H new ATOM 0 HB VAL A 68 -6.906 -8.248 -12.619 1.00 0.46 H new ATOM 0 HG11 VAL A 68 -7.925 -8.458 -10.346 1.00 0.52 H new ATOM 0 HG12 VAL A 68 -7.161 -9.971 -10.889 1.00 0.52 H new ATOM 0 HG13 VAL A 68 -6.336 -8.934 -9.701 1.00 0.52 H new ATOM 0 HG21 VAL A 68 -7.088 -6.320 -10.980 1.00 0.43 H new ATOM 0 HG22 VAL A 68 -5.446 -6.695 -10.404 1.00 0.43 H new ATOM 0 HG23 VAL A 68 -5.696 -6.135 -12.074 1.00 0.43 H new ATOM 1163 N SER A 69 -5.473 -10.671 -13.646 1.00 0.58 N ATOM 1164 CA SER A 69 -5.489 -12.075 -14.074 1.00 0.71 C ATOM 1165 C SER A 69 -4.067 -12.634 -14.193 1.00 0.71 C ATOM 1166 O SER A 69 -3.804 -13.701 -13.655 1.00 0.77 O ATOM 1167 CB SER A 69 -6.244 -12.224 -15.402 1.00 0.79 C ATOM 1168 OG SER A 69 -6.479 -13.591 -15.715 1.00 0.96 O ATOM 0 H SER A 69 -5.804 -10.016 -14.355 1.00 0.58 H new ATOM 0 HA SER A 69 -6.012 -12.654 -13.312 1.00 0.71 H new ATOM 0 HB2 SER A 69 -7.195 -11.694 -15.343 1.00 0.79 H new ATOM 0 HB3 SER A 69 -5.669 -11.759 -16.203 1.00 0.79 H new ATOM 0 HG SER A 69 -6.963 -13.653 -16.565 1.00 0.96 H new ATOM 1174 N TYR A 70 -3.112 -11.915 -14.798 1.00 0.67 N ATOM 1175 CA TYR A 70 -1.713 -12.347 -14.911 1.00 0.72 C ATOM 1176 C TYR A 70 -1.062 -12.616 -13.543 1.00 0.61 C ATOM 1177 O TYR A 70 -0.424 -13.653 -13.360 1.00 0.67 O ATOM 1178 CB TYR A 70 -0.964 -11.270 -15.696 1.00 0.76 C ATOM 1179 CG TYR A 70 0.500 -11.567 -15.901 1.00 0.86 C ATOM 1180 CD1 TYR A 70 0.892 -12.466 -16.906 1.00 1.49 C ATOM 1181 CD2 TYR A 70 1.462 -10.948 -15.090 1.00 2.19 C ATOM 1182 CE1 TYR A 70 2.258 -12.727 -17.125 1.00 1.45 C ATOM 1183 CE2 TYR A 70 2.827 -11.189 -15.315 1.00 2.33 C ATOM 1184 CZ TYR A 70 3.234 -12.071 -16.341 1.00 1.10 C ATOM 1185 OH TYR A 70 4.559 -12.290 -16.571 1.00 1.25 O ATOM 0 H TYR A 70 -3.291 -11.007 -15.227 1.00 0.67 H new ATOM 0 HA TYR A 70 -1.667 -13.302 -15.435 1.00 0.72 H new ATOM 0 HB2 TYR A 70 -1.439 -11.148 -16.669 1.00 0.76 H new ATOM 0 HB3 TYR A 70 -1.061 -10.319 -15.172 1.00 0.76 H new ATOM 0 HD1 TYR A 70 0.145 -12.958 -17.511 1.00 1.49 H new ATOM 0 HD2 TYR A 70 1.154 -10.287 -14.294 1.00 2.19 H new ATOM 0 HE1 TYR A 70 2.559 -13.427 -17.890 1.00 1.45 H new ATOM 0 HE2 TYR A 70 3.568 -10.698 -14.702 1.00 2.33 H new ATOM 0 HH TYR A 70 5.092 -11.689 -16.010 1.00 1.25 H new ATOM 1195 N TYR A 71 -1.295 -11.738 -12.562 1.00 0.47 N ATOM 1196 CA TYR A 71 -0.875 -11.914 -11.170 1.00 0.40 C ATOM 1197 C TYR A 71 -1.408 -13.226 -10.562 1.00 0.48 C ATOM 1198 O TYR A 71 -0.637 -13.984 -9.968 1.00 0.52 O ATOM 1199 CB TYR A 71 -1.283 -10.663 -10.358 1.00 0.45 C ATOM 1200 CG TYR A 71 -1.706 -10.942 -8.928 1.00 1.34 C ATOM 1201 CD1 TYR A 71 -0.755 -11.310 -7.956 1.00 2.19 C ATOM 1202 CD2 TYR A 71 -3.074 -10.926 -8.596 1.00 2.90 C ATOM 1203 CE1 TYR A 71 -1.177 -11.694 -6.671 1.00 3.01 C ATOM 1204 CE2 TYR A 71 -3.501 -11.296 -7.311 1.00 3.86 C ATOM 1205 CZ TYR A 71 -2.554 -11.694 -6.348 1.00 3.55 C ATOM 1206 OH TYR A 71 -2.984 -12.089 -5.122 1.00 4.66 O ATOM 0 H TYR A 71 -1.794 -10.863 -12.719 1.00 0.47 H new ATOM 0 HA TYR A 71 0.210 -12.008 -11.133 1.00 0.40 H new ATOM 0 HB2 TYR A 71 -0.445 -9.967 -10.345 1.00 0.45 H new ATOM 0 HB3 TYR A 71 -2.103 -10.164 -10.874 1.00 0.45 H new ATOM 0 HD1 TYR A 71 0.298 -11.297 -8.198 1.00 2.19 H new ATOM 0 HD2 TYR A 71 -3.801 -10.627 -9.336 1.00 2.90 H new ATOM 0 HE1 TYR A 71 -0.449 -11.989 -5.930 1.00 3.01 H new ATOM 0 HE2 TYR A 71 -4.552 -11.275 -7.062 1.00 3.86 H new ATOM 0 HH TYR A 71 -3.914 -11.808 -4.995 1.00 4.66 H new ATOM 1216 N GLN A 72 -2.701 -13.516 -10.733 1.00 0.58 N ATOM 1217 CA GLN A 72 -3.327 -14.740 -10.221 1.00 0.74 C ATOM 1218 C GLN A 72 -2.921 -15.997 -11.009 1.00 0.84 C ATOM 1219 O GLN A 72 -2.700 -17.051 -10.415 1.00 0.92 O ATOM 1220 CB GLN A 72 -4.859 -14.574 -10.226 1.00 0.87 C ATOM 1221 CG GLN A 72 -5.367 -13.796 -8.999 1.00 0.93 C ATOM 1222 CD GLN A 72 -6.849 -14.060 -8.724 1.00 1.40 C ATOM 1223 OE1 GLN A 72 -7.727 -13.268 -9.043 1.00 2.10 O ATOM 1224 NE2 GLN A 72 -7.188 -15.191 -8.132 1.00 2.76 N ATOM 0 H GLN A 72 -3.347 -12.905 -11.233 1.00 0.58 H new ATOM 0 HA GLN A 72 -2.969 -14.887 -9.202 1.00 0.74 H new ATOM 0 HB2 GLN A 72 -5.163 -14.054 -11.134 1.00 0.87 H new ATOM 0 HB3 GLN A 72 -5.329 -15.557 -10.250 1.00 0.87 H new ATOM 0 HG2 GLN A 72 -4.781 -14.077 -8.124 1.00 0.93 H new ATOM 0 HG3 GLN A 72 -5.212 -12.729 -9.157 1.00 0.93 H new ATOM 0 HE21 GLN A 72 -6.468 -15.860 -7.861 1.00 2.76 H new ATOM 0 HE22 GLN A 72 -8.170 -15.395 -7.946 1.00 2.76 H new ATOM 1233 N ALA A 73 -2.816 -15.898 -12.335 1.00 0.86 N ATOM 1234 CA ALA A 73 -2.655 -17.028 -13.254 1.00 1.03 C ATOM 1235 C ALA A 73 -1.257 -17.658 -13.166 1.00 1.05 C ATOM 1236 O ALA A 73 -1.109 -18.880 -13.212 1.00 1.18 O ATOM 1237 CB ALA A 73 -2.962 -16.516 -14.671 1.00 1.08 C ATOM 0 H ALA A 73 -2.841 -14.999 -12.816 1.00 0.86 H new ATOM 0 HA ALA A 73 -3.346 -17.826 -12.981 1.00 1.03 H new ATOM 0 HB1 ALA A 73 -2.852 -17.332 -15.385 1.00 1.08 H new ATOM 0 HB2 ALA A 73 -3.983 -16.137 -14.708 1.00 1.08 H new ATOM 0 HB3 ALA A 73 -2.269 -15.715 -14.927 1.00 1.08 H new ATOM 1243 N LYS A 74 -0.231 -16.816 -13.019 1.00 0.95 N ATOM 1244 CA LYS A 74 1.168 -17.207 -12.800 1.00 1.03 C ATOM 1245 C LYS A 74 1.546 -17.289 -11.301 1.00 0.93 C ATOM 1246 O LYS A 74 2.672 -17.661 -10.968 1.00 0.97 O ATOM 1247 CB LYS A 74 2.038 -16.195 -13.564 1.00 1.07 C ATOM 1248 CG LYS A 74 2.355 -16.564 -15.021 1.00 1.19 C ATOM 1249 CD LYS A 74 1.193 -16.925 -15.959 1.00 1.33 C ATOM 1250 CE LYS A 74 0.405 -15.678 -16.376 1.00 1.60 C ATOM 1251 NZ LYS A 74 -0.664 -16.008 -17.358 1.00 1.99 N ATOM 0 H LYS A 74 -0.354 -15.804 -13.050 1.00 0.95 H new ATOM 0 HA LYS A 74 1.333 -18.217 -13.174 1.00 1.03 H new ATOM 0 HB2 LYS A 74 1.535 -15.228 -13.553 1.00 1.07 H new ATOM 0 HB3 LYS A 74 2.978 -16.071 -13.026 1.00 1.07 H new ATOM 0 HG2 LYS A 74 2.891 -15.725 -15.466 1.00 1.19 H new ATOM 0 HG3 LYS A 74 3.043 -17.409 -15.006 1.00 1.19 H new ATOM 0 HD2 LYS A 74 1.581 -17.426 -16.846 1.00 1.33 H new ATOM 0 HD3 LYS A 74 0.526 -17.629 -15.461 1.00 1.33 H new ATOM 0 HE2 LYS A 74 -0.040 -15.216 -15.494 1.00 1.60 H new ATOM 0 HE3 LYS A 74 1.085 -14.945 -16.810 1.00 1.60 H new ATOM 0 HZ1 LYS A 74 -1.176 -15.141 -17.618 1.00 1.99 H new ATOM 0 HZ2 LYS A 74 -0.237 -16.426 -18.209 1.00 1.99 H new ATOM 0 HZ3 LYS A 74 -1.327 -16.688 -16.934 1.00 1.99 H new ATOM 1265 N ASN A 75 0.613 -16.963 -10.398 1.00 0.83 N ATOM 1266 CA ASN A 75 0.732 -17.064 -8.934 1.00 0.77 C ATOM 1267 C ASN A 75 1.867 -16.184 -8.360 1.00 0.60 C ATOM 1268 O ASN A 75 2.664 -16.612 -7.521 1.00 0.57 O ATOM 1269 CB ASN A 75 0.802 -18.534 -8.483 1.00 0.96 C ATOM 1270 CG ASN A 75 -0.443 -19.334 -8.859 1.00 1.16 C ATOM 1271 OD1 ASN A 75 -1.432 -19.352 -8.135 1.00 1.84 O ATOM 1272 ND2 ASN A 75 -0.432 -20.025 -9.987 1.00 2.63 N ATOM 0 H ASN A 75 -0.297 -16.601 -10.683 1.00 0.83 H new ATOM 0 HA ASN A 75 -0.179 -16.650 -8.503 1.00 0.77 H new ATOM 0 HB2 ASN A 75 1.678 -19.004 -8.930 1.00 0.96 H new ATOM 0 HB3 ASN A 75 0.938 -18.570 -7.402 1.00 0.96 H new ATOM 0 HD21 ASN A 75 -1.248 -20.575 -10.256 1.00 2.63 H new ATOM 0 HD22 ASN A 75 0.392 -20.008 -10.587 1.00 2.63 H new ATOM 1279 N PHE A 76 1.942 -14.926 -8.813 1.00 0.53 N ATOM 1280 CA PHE A 76 3.001 -13.969 -8.465 1.00 0.46 C ATOM 1281 C PHE A 76 3.073 -13.588 -6.977 1.00 0.42 C ATOM 1282 O PHE A 76 4.109 -13.101 -6.531 1.00 0.41 O ATOM 1283 CB PHE A 76 2.852 -12.726 -9.350 1.00 0.41 C ATOM 1284 CG PHE A 76 3.552 -12.850 -10.689 1.00 0.52 C ATOM 1285 CD1 PHE A 76 4.936 -12.615 -10.775 1.00 1.76 C ATOM 1286 CD2 PHE A 76 2.834 -13.197 -11.846 1.00 1.38 C ATOM 1287 CE1 PHE A 76 5.598 -12.689 -12.013 1.00 1.85 C ATOM 1288 CE2 PHE A 76 3.501 -13.291 -13.078 1.00 1.37 C ATOM 1289 CZ PHE A 76 4.878 -13.040 -13.164 1.00 0.75 C ATOM 0 H PHE A 76 1.248 -14.534 -9.450 1.00 0.53 H new ATOM 0 HA PHE A 76 3.950 -14.470 -8.654 1.00 0.46 H new ATOM 0 HB2 PHE A 76 1.792 -12.535 -9.519 1.00 0.41 H new ATOM 0 HB3 PHE A 76 3.251 -11.862 -8.819 1.00 0.41 H new ATOM 0 HD1 PHE A 76 5.495 -12.376 -9.882 1.00 1.76 H new ATOM 0 HD2 PHE A 76 1.773 -13.391 -11.788 1.00 1.38 H new ATOM 0 HE1 PHE A 76 6.655 -12.477 -12.077 1.00 1.85 H new ATOM 0 HE2 PHE A 76 2.949 -13.559 -13.967 1.00 1.37 H new ATOM 0 HZ PHE A 76 5.383 -13.117 -14.115 1.00 0.75 H new ATOM 1299 N LEU A 77 2.041 -13.884 -6.178 1.00 0.43 N ATOM 1300 CA LEU A 77 2.058 -13.783 -4.707 1.00 0.42 C ATOM 1301 C LEU A 77 3.158 -14.651 -4.050 1.00 0.44 C ATOM 1302 O LEU A 77 3.489 -14.441 -2.885 1.00 0.56 O ATOM 1303 CB LEU A 77 0.644 -14.162 -4.205 1.00 0.53 C ATOM 1304 CG LEU A 77 0.177 -13.453 -2.915 1.00 1.35 C ATOM 1305 CD1 LEU A 77 0.019 -11.929 -3.069 1.00 2.84 C ATOM 1306 CD2 LEU A 77 -1.184 -14.025 -2.499 1.00 1.29 C ATOM 0 H LEU A 77 1.146 -14.209 -6.543 1.00 0.43 H new ATOM 0 HA LEU A 77 2.308 -12.763 -4.417 1.00 0.42 H new ATOM 0 HB2 LEU A 77 -0.073 -13.944 -4.997 1.00 0.53 H new ATOM 0 HB3 LEU A 77 0.615 -15.238 -4.036 1.00 0.53 H new ATOM 0 HG LEU A 77 0.951 -13.630 -2.168 1.00 1.35 H new ATOM 0 HD11 LEU A 77 -0.311 -11.500 -2.123 1.00 2.84 H new ATOM 0 HD12 LEU A 77 0.976 -11.491 -3.352 1.00 2.84 H new ATOM 0 HD13 LEU A 77 -0.720 -11.716 -3.842 1.00 2.84 H new ATOM 0 HD21 LEU A 77 -1.523 -13.531 -1.589 1.00 1.29 H new ATOM 0 HD22 LEU A 77 -1.909 -13.856 -3.295 1.00 1.29 H new ATOM 0 HD23 LEU A 77 -1.089 -15.095 -2.317 1.00 1.29 H new ATOM 1318 N ALA A 78 3.767 -15.587 -4.787 1.00 0.45 N ATOM 1319 CA ALA A 78 4.956 -16.328 -4.357 1.00 0.49 C ATOM 1320 C ALA A 78 6.265 -15.508 -4.430 1.00 0.50 C ATOM 1321 O ALA A 78 7.200 -15.800 -3.682 1.00 0.59 O ATOM 1322 CB ALA A 78 5.057 -17.584 -5.231 1.00 0.61 C ATOM 0 H ALA A 78 3.441 -15.855 -5.716 1.00 0.45 H new ATOM 0 HA ALA A 78 4.839 -16.579 -3.303 1.00 0.49 H new ATOM 0 HB1 ALA A 78 5.934 -18.162 -4.938 1.00 0.61 H new ATOM 0 HB2 ALA A 78 4.162 -18.192 -5.100 1.00 0.61 H new ATOM 0 HB3 ALA A 78 5.148 -17.293 -6.277 1.00 0.61 H new ATOM 1328 N ILE A 79 6.355 -14.510 -5.325 1.00 0.47 N ATOM 1329 CA ILE A 79 7.601 -13.758 -5.622 1.00 0.54 C ATOM 1330 C ILE A 79 7.479 -12.238 -5.413 1.00 0.49 C ATOM 1331 O ILE A 79 8.482 -11.526 -5.426 1.00 0.57 O ATOM 1332 CB ILE A 79 8.165 -14.133 -7.021 1.00 0.65 C ATOM 1333 CG1 ILE A 79 7.428 -13.562 -8.256 1.00 0.63 C ATOM 1334 CG2 ILE A 79 8.202 -15.663 -7.186 1.00 0.76 C ATOM 1335 CD1 ILE A 79 7.848 -12.136 -8.632 1.00 0.67 C ATOM 0 H ILE A 79 5.556 -14.193 -5.874 1.00 0.47 H new ATOM 0 HA ILE A 79 8.333 -14.074 -4.878 1.00 0.54 H new ATOM 0 HB ILE A 79 9.151 -13.669 -7.015 1.00 0.65 H new ATOM 0 HG12 ILE A 79 7.607 -14.218 -9.108 1.00 0.63 H new ATOM 0 HG13 ILE A 79 6.355 -13.574 -8.063 1.00 0.63 H new ATOM 0 HG21 ILE A 79 8.599 -15.913 -8.170 1.00 0.76 H new ATOM 0 HG22 ILE A 79 8.840 -16.097 -6.416 1.00 0.76 H new ATOM 0 HG23 ILE A 79 7.193 -16.064 -7.089 1.00 0.76 H new ATOM 0 HD11 ILE A 79 7.286 -11.810 -9.507 1.00 0.67 H new ATOM 0 HD12 ILE A 79 7.643 -11.465 -7.798 1.00 0.67 H new ATOM 0 HD13 ILE A 79 8.914 -12.119 -8.859 1.00 0.67 H new ATOM 1347 N ASP A 80 6.264 -11.738 -5.178 1.00 0.43 N ATOM 1348 CA ASP A 80 5.951 -10.351 -4.840 1.00 0.50 C ATOM 1349 C ASP A 80 6.743 -9.838 -3.614 1.00 0.52 C ATOM 1350 O ASP A 80 6.702 -10.482 -2.560 1.00 0.70 O ATOM 1351 CB ASP A 80 4.443 -10.257 -4.562 1.00 0.80 C ATOM 1352 CG ASP A 80 4.097 -8.935 -3.874 1.00 1.52 C ATOM 1353 OD1 ASP A 80 4.365 -7.872 -4.469 1.00 1.64 O ATOM 1354 OD2 ASP A 80 3.634 -8.957 -2.718 1.00 3.06 O ATOM 0 H ASP A 80 5.429 -12.322 -5.221 1.00 0.43 H new ATOM 0 HA ASP A 80 6.240 -9.721 -5.681 1.00 0.50 H new ATOM 0 HB2 ASP A 80 3.891 -10.340 -5.498 1.00 0.80 H new ATOM 0 HB3 ASP A 80 4.132 -11.091 -3.933 1.00 0.80 H new ATOM 1359 N PRO A 81 7.397 -8.660 -3.699 1.00 0.82 N ATOM 1360 CA PRO A 81 8.087 -8.066 -2.566 1.00 1.06 C ATOM 1361 C PRO A 81 7.147 -7.229 -1.680 1.00 0.95 C ATOM 1362 O PRO A 81 7.501 -6.985 -0.529 1.00 1.09 O ATOM 1363 CB PRO A 81 9.187 -7.217 -3.208 1.00 1.48 C ATOM 1364 CG PRO A 81 8.534 -6.699 -4.487 1.00 1.52 C ATOM 1365 CD PRO A 81 7.582 -7.828 -4.885 1.00 1.24 C ATOM 0 HA PRO A 81 8.487 -8.818 -1.886 1.00 1.06 H new ATOM 0 HB2 PRO A 81 9.496 -6.400 -2.556 1.00 1.48 H new ATOM 0 HB3 PRO A 81 10.077 -7.808 -3.422 1.00 1.48 H new ATOM 0 HG2 PRO A 81 7.999 -5.765 -4.315 1.00 1.52 H new ATOM 0 HG3 PRO A 81 9.273 -6.504 -5.264 1.00 1.52 H new ATOM 0 HD2 PRO A 81 6.629 -7.427 -5.229 1.00 1.24 H new ATOM 0 HD3 PRO A 81 7.997 -8.412 -5.706 1.00 1.24 H new ATOM 1373 N VAL A 82 5.959 -6.820 -2.159 1.00 0.79 N ATOM 1374 CA VAL A 82 5.027 -5.938 -1.424 1.00 0.80 C ATOM 1375 C VAL A 82 4.428 -6.624 -0.173 1.00 0.59 C ATOM 1376 O VAL A 82 3.959 -5.931 0.728 1.00 0.67 O ATOM 1377 CB VAL A 82 3.924 -5.403 -2.379 1.00 1.05 C ATOM 1378 CG1 VAL A 82 2.811 -4.582 -1.715 1.00 2.71 C ATOM 1379 CG2 VAL A 82 4.508 -4.575 -3.543 1.00 1.67 C ATOM 0 H VAL A 82 5.612 -7.094 -3.078 1.00 0.79 H new ATOM 0 HA VAL A 82 5.598 -5.087 -1.053 1.00 0.80 H new ATOM 0 HB VAL A 82 3.466 -6.321 -2.749 1.00 1.05 H new ATOM 0 HG11 VAL A 82 2.096 -4.259 -2.472 1.00 2.71 H new ATOM 0 HG12 VAL A 82 2.301 -5.195 -0.972 1.00 2.71 H new ATOM 0 HG13 VAL A 82 3.244 -3.708 -1.229 1.00 2.71 H new ATOM 0 HG21 VAL A 82 3.698 -4.224 -4.182 1.00 1.67 H new ATOM 0 HG22 VAL A 82 5.052 -3.719 -3.144 1.00 1.67 H new ATOM 0 HG23 VAL A 82 5.187 -5.196 -4.127 1.00 1.67 H new ATOM 1389 N LEU A 83 4.488 -7.962 -0.071 1.00 0.57 N ATOM 1390 CA LEU A 83 4.076 -8.727 1.117 1.00 0.79 C ATOM 1391 C LEU A 83 5.224 -9.295 1.967 1.00 1.03 C ATOM 1392 O LEU A 83 4.969 -9.724 3.092 1.00 1.36 O ATOM 1393 CB LEU A 83 3.096 -9.832 0.677 1.00 0.96 C ATOM 1394 CG LEU A 83 3.668 -10.977 -0.199 1.00 1.01 C ATOM 1395 CD1 LEU A 83 4.322 -12.115 0.602 1.00 1.19 C ATOM 1396 CD2 LEU A 83 2.511 -11.581 -0.991 1.00 1.18 C ATOM 0 H LEU A 83 4.831 -8.554 -0.828 1.00 0.57 H new ATOM 0 HA LEU A 83 3.589 -8.021 1.789 1.00 0.79 H new ATOM 0 HB2 LEU A 83 2.663 -10.276 1.573 1.00 0.96 H new ATOM 0 HB3 LEU A 83 2.280 -9.362 0.128 1.00 0.96 H new ATOM 0 HG LEU A 83 4.444 -10.537 -0.826 1.00 1.01 H new ATOM 0 HD11 LEU A 83 4.696 -12.875 -0.084 1.00 1.19 H new ATOM 0 HD12 LEU A 83 5.150 -11.717 1.189 1.00 1.19 H new ATOM 0 HD13 LEU A 83 3.584 -12.561 1.269 1.00 1.19 H new ATOM 0 HD21 LEU A 83 2.883 -12.391 -1.618 1.00 1.18 H new ATOM 0 HD22 LEU A 83 1.762 -11.971 -0.301 1.00 1.18 H new ATOM 0 HD23 LEU A 83 2.060 -10.813 -1.620 1.00 1.18 H new ATOM 1408 N ASN A 84 6.467 -9.332 1.470 1.00 1.00 N ATOM 1409 CA ASN A 84 7.578 -10.033 2.136 1.00 1.22 C ATOM 1410 C ASN A 84 8.105 -9.220 3.344 1.00 1.00 C ATOM 1411 O ASN A 84 8.780 -8.210 3.123 1.00 0.96 O ATOM 1412 CB ASN A 84 8.696 -10.289 1.102 1.00 1.53 C ATOM 1413 CG ASN A 84 8.516 -11.566 0.275 1.00 2.14 C ATOM 1414 OD1 ASN A 84 7.778 -12.480 0.623 1.00 2.64 O ATOM 1415 ND2 ASN A 84 9.227 -11.686 -0.832 1.00 2.89 N ATOM 0 H ASN A 84 6.733 -8.878 0.596 1.00 1.00 H new ATOM 0 HA ASN A 84 7.224 -10.987 2.526 1.00 1.22 H new ATOM 0 HB2 ASN A 84 8.749 -9.437 0.424 1.00 1.53 H new ATOM 0 HB3 ASN A 84 9.651 -10.341 1.624 1.00 1.53 H new ATOM 0 HD21 ASN A 84 9.160 -12.536 -1.392 1.00 2.89 H new ATOM 0 HD22 ASN A 84 9.843 -10.929 -1.127 1.00 2.89 H new ATOM 1422 N PRO A 85 7.849 -9.631 4.608 1.00 0.97 N ATOM 1423 CA PRO A 85 7.870 -8.717 5.755 1.00 0.69 C ATOM 1424 C PRO A 85 9.278 -8.319 6.225 1.00 0.85 C ATOM 1425 O PRO A 85 9.444 -7.226 6.760 1.00 1.00 O ATOM 1426 CB PRO A 85 7.087 -9.431 6.862 1.00 0.79 C ATOM 1427 CG PRO A 85 7.278 -10.912 6.543 1.00 1.10 C ATOM 1428 CD PRO A 85 7.315 -10.927 5.016 1.00 1.33 C ATOM 0 HA PRO A 85 7.421 -7.765 5.472 1.00 0.69 H new ATOM 0 HB2 PRO A 85 7.473 -9.181 7.850 1.00 0.79 H new ATOM 0 HB3 PRO A 85 6.033 -9.152 6.851 1.00 0.79 H new ATOM 0 HG2 PRO A 85 8.200 -11.303 6.974 1.00 1.10 H new ATOM 0 HG3 PRO A 85 6.461 -11.519 6.934 1.00 1.10 H new ATOM 0 HD2 PRO A 85 7.943 -11.739 4.650 1.00 1.33 H new ATOM 0 HD3 PRO A 85 6.318 -11.084 4.604 1.00 1.33 H new ATOM 1436 N GLU A 86 10.294 -9.163 6.025 1.00 1.15 N ATOM 1437 CA GLU A 86 11.682 -8.876 6.420 1.00 1.57 C ATOM 1438 C GLU A 86 12.349 -7.820 5.525 1.00 1.56 C ATOM 1439 O GLU A 86 13.258 -7.112 5.965 1.00 1.90 O ATOM 1440 CB GLU A 86 12.536 -10.149 6.418 1.00 2.03 C ATOM 1441 CG GLU A 86 11.982 -11.240 7.344 1.00 2.08 C ATOM 1442 CD GLU A 86 11.142 -12.299 6.607 1.00 2.09 C ATOM 1443 OE1 GLU A 86 10.486 -11.973 5.590 1.00 2.93 O ATOM 1444 OE2 GLU A 86 11.132 -13.470 7.058 1.00 2.51 O ATOM 0 H GLU A 86 10.179 -10.074 5.581 1.00 1.15 H new ATOM 0 HA GLU A 86 11.625 -8.474 7.432 1.00 1.57 H new ATOM 0 HB2 GLU A 86 12.597 -10.538 5.402 1.00 2.03 H new ATOM 0 HB3 GLU A 86 13.552 -9.900 6.725 1.00 2.03 H new ATOM 0 HG2 GLU A 86 12.812 -11.733 7.850 1.00 2.08 H new ATOM 0 HG3 GLU A 86 11.370 -10.774 8.116 1.00 2.08 H new ATOM 1451 N ASN A 87 11.894 -7.698 4.271 1.00 1.24 N ATOM 1452 CA ASN A 87 12.401 -6.726 3.299 1.00 1.19 C ATOM 1453 C ASN A 87 12.019 -5.276 3.677 1.00 1.10 C ATOM 1454 O ASN A 87 12.691 -4.321 3.282 1.00 1.22 O ATOM 1455 CB ASN A 87 11.874 -7.124 1.907 1.00 1.05 C ATOM 1456 CG ASN A 87 12.693 -6.578 0.739 1.00 1.72 C ATOM 1457 OD1 ASN A 87 13.773 -6.017 0.885 1.00 3.07 O ATOM 1458 ND2 ASN A 87 12.212 -6.772 -0.476 1.00 1.99 N ATOM 0 H ASN A 87 11.148 -8.285 3.898 1.00 1.24 H new ATOM 0 HA ASN A 87 13.491 -6.745 3.294 1.00 1.19 H new ATOM 0 HB2 ASN A 87 11.849 -8.212 1.839 1.00 1.05 H new ATOM 0 HB3 ASN A 87 10.846 -6.775 1.808 1.00 1.05 H new ATOM 0 HD21 ASN A 87 12.739 -6.455 -1.290 1.00 1.99 H new ATOM 0 HD22 ASN A 87 11.314 -7.239 -0.600 1.00 1.99 H new ATOM 1465 N PHE A 88 10.984 -5.112 4.513 1.00 0.98 N ATOM 1466 CA PHE A 88 10.623 -3.864 5.194 1.00 0.98 C ATOM 1467 C PHE A 88 11.549 -3.632 6.400 1.00 1.04 C ATOM 1468 O PHE A 88 11.111 -3.529 7.545 1.00 1.10 O ATOM 1469 CB PHE A 88 9.145 -3.906 5.606 1.00 0.86 C ATOM 1470 CG PHE A 88 8.193 -4.055 4.445 1.00 0.72 C ATOM 1471 CD1 PHE A 88 7.875 -5.333 3.955 1.00 1.48 C ATOM 1472 CD2 PHE A 88 7.636 -2.912 3.850 1.00 2.07 C ATOM 1473 CE1 PHE A 88 6.997 -5.470 2.865 1.00 1.51 C ATOM 1474 CE2 PHE A 88 6.730 -3.049 2.789 1.00 1.99 C ATOM 1475 CZ PHE A 88 6.420 -4.324 2.289 1.00 0.52 C ATOM 0 H PHE A 88 10.350 -5.878 4.741 1.00 0.98 H new ATOM 0 HA PHE A 88 10.756 -3.023 4.514 1.00 0.98 H new ATOM 0 HB2 PHE A 88 8.993 -4.735 6.297 1.00 0.86 H new ATOM 0 HB3 PHE A 88 8.902 -2.992 6.148 1.00 0.86 H new ATOM 0 HD1 PHE A 88 8.305 -6.210 4.416 1.00 1.48 H new ATOM 0 HD2 PHE A 88 7.905 -1.929 4.209 1.00 2.07 H new ATOM 0 HE1 PHE A 88 6.767 -6.450 2.473 1.00 1.51 H new ATOM 0 HE2 PHE A 88 6.270 -2.173 2.356 1.00 1.99 H new ATOM 0 HZ PHE A 88 5.736 -4.425 1.459 1.00 0.52 H new ATOM 1485 N SER A 89 12.856 -3.572 6.153 1.00 1.04 N ATOM 1486 CA SER A 89 13.885 -3.662 7.205 1.00 1.11 C ATOM 1487 C SER A 89 13.948 -2.405 8.092 1.00 1.15 C ATOM 1488 O SER A 89 14.441 -2.454 9.221 1.00 1.25 O ATOM 1489 CB SER A 89 15.260 -3.899 6.562 1.00 1.16 C ATOM 1490 OG SER A 89 15.241 -4.960 5.612 1.00 1.14 O ATOM 0 H SER A 89 13.240 -3.459 5.215 1.00 1.04 H new ATOM 0 HA SER A 89 13.610 -4.498 7.848 1.00 1.11 H new ATOM 0 HB2 SER A 89 15.592 -2.983 6.073 1.00 1.16 H new ATOM 0 HB3 SER A 89 15.988 -4.126 7.341 1.00 1.16 H new ATOM 0 HG SER A 89 14.539 -5.601 5.851 1.00 1.14 H new ATOM 1496 N GLN A 90 13.409 -1.288 7.596 1.00 1.08 N ATOM 1497 CA GLN A 90 13.176 -0.041 8.331 1.00 1.10 C ATOM 1498 C GLN A 90 11.676 0.349 8.297 1.00 1.04 C ATOM 1499 O GLN A 90 11.327 1.528 8.381 1.00 1.03 O ATOM 1500 CB GLN A 90 14.106 1.052 7.763 1.00 1.12 C ATOM 1501 CG GLN A 90 15.598 0.706 7.933 1.00 1.13 C ATOM 1502 CD GLN A 90 16.512 1.860 7.517 1.00 1.53 C ATOM 1503 OE1 GLN A 90 16.850 2.739 8.303 1.00 2.18 O ATOM 1504 NE2 GLN A 90 16.945 1.917 6.272 1.00 2.62 N ATOM 0 H GLN A 90 13.108 -1.225 6.623 1.00 1.08 H new ATOM 0 HA GLN A 90 13.420 -0.170 9.385 1.00 1.10 H new ATOM 0 HB2 GLN A 90 13.888 1.195 6.705 1.00 1.12 H new ATOM 0 HB3 GLN A 90 13.897 1.998 8.263 1.00 1.12 H new ATOM 0 HG2 GLN A 90 15.793 0.448 8.974 1.00 1.13 H new ATOM 0 HG3 GLN A 90 15.835 -0.175 7.337 1.00 1.13 H new ATOM 0 HE21 GLN A 90 16.674 1.195 5.604 1.00 2.62 H new ATOM 0 HE22 GLN A 90 17.550 2.683 5.977 1.00 2.62 H new ATOM 1513 N GLY A 91 10.778 -0.637 8.135 1.00 1.02 N ATOM 1514 CA GLY A 91 9.314 -0.464 8.102 1.00 1.00 C ATOM 1515 C GLY A 91 8.754 0.037 6.765 1.00 0.91 C ATOM 1516 O GLY A 91 7.593 0.434 6.696 1.00 0.92 O ATOM 0 H GLY A 91 11.060 -1.610 8.019 1.00 1.02 H new ATOM 0 HA2 GLY A 91 8.844 -1.418 8.342 1.00 1.00 H new ATOM 0 HA3 GLY A 91 9.028 0.238 8.885 1.00 1.00 H new ATOM 1520 N HIS A 92 9.561 0.040 5.702 1.00 0.84 N ATOM 1521 CA HIS A 92 9.267 0.705 4.427 1.00 0.81 C ATOM 1522 C HIS A 92 9.967 0.009 3.234 1.00 0.81 C ATOM 1523 O HIS A 92 10.974 -0.680 3.429 1.00 0.89 O ATOM 1524 CB HIS A 92 9.694 2.178 4.564 1.00 0.96 C ATOM 1525 CG HIS A 92 9.577 2.944 3.275 1.00 0.88 C ATOM 1526 ND1 HIS A 92 8.415 3.183 2.576 1.00 0.75 N ATOM 1527 CD2 HIS A 92 10.620 3.310 2.467 1.00 0.90 C ATOM 1528 CE1 HIS A 92 8.755 3.648 1.364 1.00 0.67 C ATOM 1529 NE2 HIS A 92 10.091 3.763 1.255 1.00 0.74 N ATOM 0 H HIS A 92 10.464 -0.434 5.703 1.00 0.84 H new ATOM 0 HA HIS A 92 8.200 0.643 4.212 1.00 0.81 H new ATOM 0 HB2 HIS A 92 9.079 2.660 5.324 1.00 0.96 H new ATOM 0 HB3 HIS A 92 10.725 2.221 4.914 1.00 0.96 H new ATOM 0 HD1 HIS A 92 7.466 3.033 2.918 1.00 0.75 H new ATOM 0 HD2 HIS A 92 11.668 3.258 2.722 1.00 0.90 H new ATOM 0 HE1 HIS A 92 8.052 3.896 0.583 1.00 0.67 H new ATOM 1537 N LEU A 93 9.436 0.180 2.010 1.00 0.75 N ATOM 1538 CA LEU A 93 9.908 -0.484 0.792 1.00 0.73 C ATOM 1539 C LEU A 93 9.741 0.390 -0.472 1.00 0.64 C ATOM 1540 O LEU A 93 8.759 1.113 -0.631 1.00 0.60 O ATOM 1541 CB LEU A 93 9.137 -1.811 0.680 1.00 0.76 C ATOM 1542 CG LEU A 93 9.696 -2.828 -0.325 1.00 0.77 C ATOM 1543 CD1 LEU A 93 11.039 -3.374 0.161 1.00 1.10 C ATOM 1544 CD2 LEU A 93 8.736 -4.012 -0.447 1.00 1.49 C ATOM 0 H LEU A 93 8.645 0.802 1.841 1.00 0.75 H new ATOM 0 HA LEU A 93 10.981 -0.664 0.860 1.00 0.73 H new ATOM 0 HB2 LEU A 93 9.112 -2.278 1.664 1.00 0.76 H new ATOM 0 HB3 LEU A 93 8.106 -1.588 0.406 1.00 0.76 H new ATOM 0 HG LEU A 93 9.818 -2.324 -1.284 1.00 0.77 H new ATOM 0 HD11 LEU A 93 11.422 -4.094 -0.562 1.00 1.10 H new ATOM 0 HD12 LEU A 93 11.748 -2.553 0.267 1.00 1.10 H new ATOM 0 HD13 LEU A 93 10.905 -3.865 1.125 1.00 1.10 H new ATOM 0 HD21 LEU A 93 9.135 -4.732 -1.161 1.00 1.49 H new ATOM 0 HD22 LEU A 93 8.623 -4.490 0.526 1.00 1.49 H new ATOM 0 HD23 LEU A 93 7.765 -3.659 -0.793 1.00 1.49 H new ATOM 1556 N MET A 94 10.688 0.284 -1.406 1.00 0.63 N ATOM 1557 CA MET A 94 10.689 0.986 -2.703 1.00 0.57 C ATOM 1558 C MET A 94 10.750 -0.007 -3.867 1.00 0.66 C ATOM 1559 O MET A 94 11.296 -1.102 -3.718 1.00 0.89 O ATOM 1560 CB MET A 94 11.919 1.895 -2.786 1.00 0.62 C ATOM 1561 CG MET A 94 11.801 3.098 -1.853 1.00 0.74 C ATOM 1562 SD MET A 94 13.373 3.964 -1.664 1.00 0.73 S ATOM 1563 CE MET A 94 12.692 5.499 -1.019 1.00 0.61 C ATOM 0 H MET A 94 11.506 -0.312 -1.282 1.00 0.63 H new ATOM 0 HA MET A 94 9.769 1.566 -2.774 1.00 0.57 H new ATOM 0 HB2 MET A 94 12.811 1.323 -2.530 1.00 0.62 H new ATOM 0 HB3 MET A 94 12.046 2.242 -3.812 1.00 0.62 H new ATOM 0 HG2 MET A 94 11.052 3.787 -2.243 1.00 0.74 H new ATOM 0 HG3 MET A 94 11.450 2.766 -0.876 1.00 0.74 H new ATOM 0 HE1 MET A 94 13.236 6.344 -1.440 1.00 0.61 H new ATOM 0 HE2 MET A 94 11.639 5.573 -1.292 1.00 0.61 H new ATOM 0 HE3 MET A 94 12.787 5.511 0.067 1.00 0.61 H new ATOM 1573 N TRP A 95 10.265 0.392 -5.047 1.00 0.53 N ATOM 1574 CA TRP A 95 10.513 -0.358 -6.280 1.00 0.46 C ATOM 1575 C TRP A 95 11.779 0.184 -6.965 1.00 0.54 C ATOM 1576 O TRP A 95 11.782 1.288 -7.513 1.00 0.56 O ATOM 1577 CB TRP A 95 9.302 -0.297 -7.227 1.00 0.44 C ATOM 1578 CG TRP A 95 7.965 -0.799 -6.760 1.00 0.47 C ATOM 1579 CD1 TRP A 95 7.601 -1.145 -5.501 1.00 0.64 C ATOM 1580 CD2 TRP A 95 6.746 -0.924 -7.558 1.00 0.42 C ATOM 1581 NE1 TRP A 95 6.251 -1.425 -5.462 1.00 0.66 N ATOM 1582 CE2 TRP A 95 5.656 -1.216 -6.685 1.00 0.51 C ATOM 1583 CE3 TRP A 95 6.441 -0.734 -8.924 1.00 0.43 C ATOM 1584 CZ2 TRP A 95 4.324 -1.214 -7.119 1.00 0.57 C ATOM 1585 CZ3 TRP A 95 5.107 -0.750 -9.377 1.00 0.59 C ATOM 1586 CH2 TRP A 95 4.049 -0.965 -8.476 1.00 0.65 C ATOM 0 H TRP A 95 9.698 1.231 -5.173 1.00 0.53 H new ATOM 0 HA TRP A 95 10.668 -1.407 -6.026 1.00 0.46 H new ATOM 0 HB2 TRP A 95 9.173 0.744 -7.524 1.00 0.44 H new ATOM 0 HB3 TRP A 95 9.563 -0.855 -8.126 1.00 0.44 H new ATOM 0 HD1 TRP A 95 8.269 -1.194 -4.654 1.00 0.64 H new ATOM 0 HE1 TRP A 95 5.756 -1.747 -4.630 1.00 0.66 H new ATOM 0 HE3 TRP A 95 7.242 -0.574 -9.631 1.00 0.43 H new ATOM 0 HZ2 TRP A 95 3.520 -1.401 -6.422 1.00 0.57 H new ATOM 0 HZ3 TRP A 95 4.895 -0.596 -10.425 1.00 0.59 H new ATOM 0 HH2 TRP A 95 3.027 -0.939 -8.825 1.00 0.65 H new ATOM 1597 N ASN A 96 12.837 -0.629 -6.961 1.00 0.71 N ATOM 1598 CA ASN A 96 14.071 -0.427 -7.725 1.00 0.76 C ATOM 1599 C ASN A 96 14.407 -1.694 -8.522 1.00 0.78 C ATOM 1600 O ASN A 96 14.067 -2.805 -8.118 1.00 0.83 O ATOM 1601 CB ASN A 96 15.225 0.000 -6.794 1.00 0.91 C ATOM 1602 CG ASN A 96 15.252 1.501 -6.483 1.00 1.44 C ATOM 1603 OD1 ASN A 96 14.684 2.334 -7.181 1.00 1.93 O ATOM 1604 ND2 ASN A 96 15.956 1.900 -5.439 1.00 2.24 N ATOM 0 H ASN A 96 12.859 -1.482 -6.402 1.00 0.71 H new ATOM 0 HA ASN A 96 13.924 0.383 -8.439 1.00 0.76 H new ATOM 0 HB2 ASN A 96 15.147 -0.553 -5.858 1.00 0.91 H new ATOM 0 HB3 ASN A 96 16.172 -0.283 -7.253 1.00 0.91 H new ATOM 0 HD21 ASN A 96 16.024 2.894 -5.219 1.00 2.24 H new ATOM 0 HD22 ASN A 96 16.432 1.214 -4.853 1.00 2.24 H new ATOM 1611 N ASP A 97 15.084 -1.522 -9.659 1.00 0.76 N ATOM 1612 CA ASP A 97 15.401 -2.581 -10.629 1.00 0.71 C ATOM 1613 C ASP A 97 16.255 -3.704 -10.013 1.00 0.64 C ATOM 1614 O ASP A 97 16.129 -4.871 -10.379 1.00 0.63 O ATOM 1615 CB ASP A 97 16.156 -1.945 -11.808 1.00 0.76 C ATOM 1616 CG ASP A 97 15.411 -0.748 -12.414 1.00 1.41 C ATOM 1617 OD1 ASP A 97 15.471 0.357 -11.818 1.00 2.58 O ATOM 1618 OD2 ASP A 97 14.755 -0.921 -13.466 1.00 1.89 O ATOM 0 H ASP A 97 15.441 -0.610 -9.943 1.00 0.76 H new ATOM 0 HA ASP A 97 14.467 -3.036 -10.959 1.00 0.71 H new ATOM 0 HB2 ASP A 97 17.141 -1.622 -11.471 1.00 0.76 H new ATOM 0 HB3 ASP A 97 16.315 -2.697 -12.580 1.00 0.76 H new ATOM 1623 N ASP A 98 17.092 -3.337 -9.041 1.00 0.65 N ATOM 1624 CA ASP A 98 17.899 -4.220 -8.200 1.00 0.68 C ATOM 1625 C ASP A 98 17.040 -5.084 -7.257 1.00 0.66 C ATOM 1626 O ASP A 98 17.270 -6.285 -7.119 1.00 0.71 O ATOM 1627 CB ASP A 98 18.821 -3.332 -7.354 1.00 0.75 C ATOM 1628 CG ASP A 98 19.869 -2.588 -8.195 1.00 1.59 C ATOM 1629 OD1 ASP A 98 20.935 -3.178 -8.490 1.00 2.17 O ATOM 1630 OD2 ASP A 98 19.630 -1.404 -8.538 1.00 2.84 O ATOM 0 H ASP A 98 17.232 -2.354 -8.806 1.00 0.65 H new ATOM 0 HA ASP A 98 18.456 -4.901 -8.844 1.00 0.68 H new ATOM 0 HB2 ASP A 98 18.218 -2.606 -6.809 1.00 0.75 H new ATOM 0 HB3 ASP A 98 19.329 -3.947 -6.611 1.00 0.75 H new ATOM 1635 N LEU A 99 16.034 -4.479 -6.617 1.00 0.63 N ATOM 1636 CA LEU A 99 15.121 -5.142 -5.678 1.00 0.71 C ATOM 1637 C LEU A 99 14.167 -6.097 -6.409 1.00 0.65 C ATOM 1638 O LEU A 99 13.857 -7.179 -5.910 1.00 0.72 O ATOM 1639 CB LEU A 99 14.415 -4.038 -4.867 1.00 0.91 C ATOM 1640 CG LEU A 99 13.670 -4.553 -3.616 1.00 0.93 C ATOM 1641 CD1 LEU A 99 13.801 -3.528 -2.480 1.00 2.59 C ATOM 1642 CD2 LEU A 99 12.182 -4.819 -3.896 1.00 1.74 C ATOM 0 H LEU A 99 15.826 -3.488 -6.741 1.00 0.63 H new ATOM 0 HA LEU A 99 15.660 -5.785 -4.983 1.00 0.71 H new ATOM 0 HB2 LEU A 99 15.155 -3.300 -4.558 1.00 0.91 H new ATOM 0 HB3 LEU A 99 13.704 -3.525 -5.514 1.00 0.91 H new ATOM 0 HG LEU A 99 14.128 -5.499 -3.327 1.00 0.93 H new ATOM 0 HD11 LEU A 99 13.275 -3.893 -1.598 1.00 2.59 H new ATOM 0 HD12 LEU A 99 14.854 -3.383 -2.240 1.00 2.59 H new ATOM 0 HD13 LEU A 99 13.367 -2.579 -2.794 1.00 2.59 H new ATOM 0 HD21 LEU A 99 11.700 -5.180 -2.987 1.00 1.74 H new ATOM 0 HD22 LEU A 99 11.702 -3.896 -4.220 1.00 1.74 H new ATOM 0 HD23 LEU A 99 12.088 -5.571 -4.680 1.00 1.74 H new ATOM 1654 N PHE A 100 13.785 -5.731 -7.633 1.00 0.64 N ATOM 1655 CA PHE A 100 13.009 -6.542 -8.569 1.00 0.64 C ATOM 1656 C PHE A 100 13.911 -7.414 -9.477 1.00 0.62 C ATOM 1657 O PHE A 100 13.441 -7.958 -10.473 1.00 0.63 O ATOM 1658 CB PHE A 100 12.060 -5.615 -9.351 1.00 0.73 C ATOM 1659 CG PHE A 100 10.820 -5.174 -8.582 1.00 0.73 C ATOM 1660 CD1 PHE A 100 10.928 -4.377 -7.424 1.00 1.63 C ATOM 1661 CD2 PHE A 100 9.540 -5.570 -9.023 1.00 1.29 C ATOM 1662 CE1 PHE A 100 9.773 -3.987 -6.721 1.00 1.61 C ATOM 1663 CE2 PHE A 100 8.386 -5.138 -8.347 1.00 1.39 C ATOM 1664 CZ PHE A 100 8.501 -4.350 -7.191 1.00 0.89 C ATOM 0 H PHE A 100 14.020 -4.816 -8.016 1.00 0.64 H new ATOM 0 HA PHE A 100 12.405 -7.263 -8.018 1.00 0.64 H new ATOM 0 HB2 PHE A 100 12.614 -4.728 -9.659 1.00 0.73 H new ATOM 0 HB3 PHE A 100 11.744 -6.126 -10.261 1.00 0.73 H new ATOM 0 HD1 PHE A 100 11.901 -4.065 -7.075 1.00 1.63 H new ATOM 0 HD2 PHE A 100 9.446 -6.211 -9.887 1.00 1.29 H new ATOM 0 HE1 PHE A 100 9.866 -3.406 -5.816 1.00 1.61 H new ATOM 0 HE2 PHE A 100 7.409 -5.413 -8.717 1.00 1.39 H new ATOM 0 HZ PHE A 100 7.615 -4.025 -6.666 1.00 0.89 H new ATOM 1674 N SER A 101 15.201 -7.589 -9.160 1.00 0.62 N ATOM 1675 CA SER A 101 16.119 -8.438 -9.947 1.00 0.63 C ATOM 1676 C SER A 101 15.821 -9.951 -9.823 1.00 0.70 C ATOM 1677 O SER A 101 16.237 -10.730 -10.683 1.00 0.84 O ATOM 1678 CB SER A 101 17.579 -8.113 -9.586 1.00 0.68 C ATOM 1679 OG SER A 101 18.506 -8.701 -10.493 1.00 0.76 O ATOM 0 H SER A 101 15.642 -7.148 -8.352 1.00 0.62 H new ATOM 0 HA SER A 101 15.952 -8.200 -10.997 1.00 0.63 H new ATOM 0 HB2 SER A 101 17.717 -7.032 -9.580 1.00 0.68 H new ATOM 0 HB3 SER A 101 17.788 -8.467 -8.576 1.00 0.68 H new ATOM 0 HG SER A 101 19.419 -8.467 -10.225 1.00 0.76 H new ATOM 1685 N GLU A 102 15.064 -10.380 -8.801 1.00 0.69 N ATOM 1686 CA GLU A 102 14.361 -11.674 -8.805 1.00 0.74 C ATOM 1687 C GLU A 102 13.009 -11.531 -9.524 1.00 0.67 C ATOM 1688 O GLU A 102 12.703 -12.281 -10.452 1.00 0.74 O ATOM 1689 CB GLU A 102 14.169 -12.184 -7.363 1.00 0.86 C ATOM 1690 CG GLU A 102 13.542 -13.587 -7.330 1.00 1.82 C ATOM 1691 CD GLU A 102 13.386 -14.113 -5.894 1.00 2.09 C ATOM 1692 OE1 GLU A 102 14.410 -14.463 -5.258 1.00 2.24 O ATOM 1693 OE2 GLU A 102 12.238 -14.200 -5.398 1.00 3.01 O ATOM 0 H GLU A 102 14.922 -9.840 -7.948 1.00 0.69 H new ATOM 0 HA GLU A 102 14.963 -12.407 -9.343 1.00 0.74 H new ATOM 0 HB2 GLU A 102 15.133 -12.205 -6.854 1.00 0.86 H new ATOM 0 HB3 GLU A 102 13.533 -11.489 -6.814 1.00 0.86 H new ATOM 0 HG2 GLU A 102 12.566 -13.560 -7.814 1.00 1.82 H new ATOM 0 HG3 GLU A 102 14.163 -14.275 -7.903 1.00 1.82 H new ATOM 1700 N ALA A 103 12.212 -10.530 -9.132 1.00 0.61 N ATOM 1701 CA ALA A 103 10.877 -10.239 -9.653 1.00 0.58 C ATOM 1702 C ALA A 103 10.878 -9.572 -11.048 1.00 0.60 C ATOM 1703 O ALA A 103 10.060 -8.700 -11.328 1.00 0.61 O ATOM 1704 CB ALA A 103 10.125 -9.438 -8.576 1.00 0.57 C ATOM 0 H ALA A 103 12.497 -9.871 -8.408 1.00 0.61 H new ATOM 0 HA ALA A 103 10.350 -11.174 -9.844 1.00 0.58 H new ATOM 0 HB1 ALA A 103 9.122 -9.203 -8.932 1.00 0.57 H new ATOM 0 HB2 ALA A 103 10.057 -10.030 -7.663 1.00 0.57 H new ATOM 0 HB3 ALA A 103 10.663 -8.513 -8.369 1.00 0.57 H new ATOM 1710 N GLN A 104 11.770 -9.992 -11.949 1.00 0.63 N ATOM 1711 CA GLN A 104 11.822 -9.496 -13.328 1.00 0.65 C ATOM 1712 C GLN A 104 10.537 -9.768 -14.137 1.00 0.61 C ATOM 1713 O GLN A 104 10.110 -8.848 -14.841 1.00 0.59 O ATOM 1714 CB GLN A 104 13.051 -10.045 -14.073 1.00 0.76 C ATOM 1715 CG GLN A 104 14.374 -9.637 -13.412 1.00 0.85 C ATOM 1716 CD GLN A 104 15.576 -9.938 -14.311 1.00 1.01 C ATOM 1717 OE1 GLN A 104 15.940 -11.082 -14.560 1.00 1.59 O ATOM 1718 NE2 GLN A 104 16.223 -8.929 -14.866 1.00 2.43 N ATOM 0 H GLN A 104 12.483 -10.692 -11.741 1.00 0.63 H new ATOM 0 HA GLN A 104 11.909 -8.413 -13.243 1.00 0.65 H new ATOM 0 HB2 GLN A 104 12.990 -11.133 -14.114 1.00 0.76 H new ATOM 0 HB3 GLN A 104 13.038 -9.686 -15.102 1.00 0.76 H new ATOM 0 HG2 GLN A 104 14.351 -8.572 -13.180 1.00 0.85 H new ATOM 0 HG3 GLN A 104 14.486 -10.167 -12.466 1.00 0.85 H new ATOM 0 HE21 GLN A 104 15.935 -7.970 -14.671 1.00 2.43 H new ATOM 0 HE22 GLN A 104 17.010 -9.109 -15.489 1.00 2.43 H new ATOM 1727 N PRO A 105 9.877 -10.949 -14.049 1.00 0.61 N ATOM 1728 CA PRO A 105 8.639 -11.191 -14.783 1.00 0.59 C ATOM 1729 C PRO A 105 7.424 -10.513 -14.130 1.00 0.49 C ATOM 1730 O PRO A 105 6.367 -10.451 -14.755 1.00 0.46 O ATOM 1731 CB PRO A 105 8.523 -12.714 -14.889 1.00 0.68 C ATOM 1732 CG PRO A 105 9.235 -13.240 -13.646 1.00 0.69 C ATOM 1733 CD PRO A 105 10.227 -12.138 -13.271 1.00 0.68 C ATOM 0 HA PRO A 105 8.660 -10.742 -15.776 1.00 0.59 H new ATOM 0 HB2 PRO A 105 7.481 -13.032 -14.913 1.00 0.68 H new ATOM 0 HB3 PRO A 105 8.991 -13.085 -15.801 1.00 0.68 H new ATOM 0 HG2 PRO A 105 8.530 -13.430 -12.837 1.00 0.69 H new ATOM 0 HG3 PRO A 105 9.747 -14.180 -13.851 1.00 0.69 H new ATOM 0 HD2 PRO A 105 10.179 -11.926 -12.203 1.00 0.68 H new ATOM 0 HD3 PRO A 105 11.248 -12.451 -13.488 1.00 0.68 H new ATOM 1741 N LEU A 106 7.580 -9.952 -12.920 1.00 0.52 N ATOM 1742 CA LEU A 106 6.623 -9.027 -12.311 1.00 0.44 C ATOM 1743 C LEU A 106 6.860 -7.609 -12.837 1.00 0.41 C ATOM 1744 O LEU A 106 5.937 -6.982 -13.346 1.00 0.34 O ATOM 1745 CB LEU A 106 6.771 -9.109 -10.779 1.00 0.50 C ATOM 1746 CG LEU A 106 5.649 -8.449 -9.959 1.00 0.45 C ATOM 1747 CD1 LEU A 106 4.366 -9.290 -9.977 1.00 1.50 C ATOM 1748 CD2 LEU A 106 6.103 -8.326 -8.498 1.00 1.24 C ATOM 0 H LEU A 106 8.392 -10.135 -12.330 1.00 0.52 H new ATOM 0 HA LEU A 106 5.601 -9.299 -12.576 1.00 0.44 H new ATOM 0 HB2 LEU A 106 6.832 -10.160 -10.495 1.00 0.50 H new ATOM 0 HB3 LEU A 106 7.718 -8.648 -10.500 1.00 0.50 H new ATOM 0 HG LEU A 106 5.444 -7.474 -10.401 1.00 0.45 H new ATOM 0 HD11 LEU A 106 3.596 -8.792 -9.387 1.00 1.50 H new ATOM 0 HD12 LEU A 106 4.020 -9.403 -11.004 1.00 1.50 H new ATOM 0 HD13 LEU A 106 4.569 -10.273 -9.552 1.00 1.50 H new ATOM 0 HD21 LEU A 106 5.313 -7.859 -7.910 1.00 1.24 H new ATOM 0 HD22 LEU A 106 6.315 -9.318 -8.098 1.00 1.24 H new ATOM 0 HD23 LEU A 106 7.004 -7.714 -8.447 1.00 1.24 H new ATOM 1760 N TRP A 107 8.107 -7.130 -12.769 1.00 0.52 N ATOM 1761 CA TRP A 107 8.536 -5.796 -13.195 1.00 0.58 C ATOM 1762 C TRP A 107 8.223 -5.556 -14.674 1.00 0.58 C ATOM 1763 O TRP A 107 7.644 -4.527 -15.014 1.00 0.55 O ATOM 1764 CB TRP A 107 10.044 -5.671 -12.911 1.00 0.69 C ATOM 1765 CG TRP A 107 10.769 -4.393 -13.240 1.00 0.76 C ATOM 1766 CD1 TRP A 107 12.109 -4.329 -13.419 1.00 0.87 C ATOM 1767 CD2 TRP A 107 10.289 -3.013 -13.414 1.00 1.07 C ATOM 1768 NE1 TRP A 107 12.490 -3.039 -13.721 1.00 1.12 N ATOM 1769 CE2 TRP A 107 11.408 -2.195 -13.770 1.00 1.24 C ATOM 1770 CE3 TRP A 107 9.042 -2.349 -13.317 1.00 1.43 C ATOM 1771 CZ2 TRP A 107 11.292 -0.833 -14.078 1.00 1.63 C ATOM 1772 CZ3 TRP A 107 8.915 -0.980 -13.620 1.00 1.82 C ATOM 1773 CH2 TRP A 107 10.031 -0.228 -14.021 1.00 1.89 C ATOM 0 H TRP A 107 8.877 -7.687 -12.399 1.00 0.52 H new ATOM 0 HA TRP A 107 7.990 -5.034 -12.639 1.00 0.58 H new ATOM 0 HB2 TRP A 107 10.191 -5.862 -11.848 1.00 0.69 H new ATOM 0 HB3 TRP A 107 10.543 -6.475 -13.451 1.00 0.69 H new ATOM 0 HD1 TRP A 107 12.783 -5.169 -13.337 1.00 0.87 H new ATOM 0 HE1 TRP A 107 13.454 -2.748 -13.887 1.00 1.12 H new ATOM 0 HE3 TRP A 107 8.170 -2.904 -13.004 1.00 1.43 H new ATOM 0 HZ2 TRP A 107 12.163 -0.258 -14.355 1.00 1.63 H new ATOM 0 HZ3 TRP A 107 7.949 -0.503 -13.543 1.00 1.82 H new ATOM 0 HH2 TRP A 107 9.917 0.813 -14.284 1.00 1.89 H new ATOM 1784 N GLU A 108 8.537 -6.514 -15.550 1.00 0.63 N ATOM 1785 CA GLU A 108 8.320 -6.371 -16.992 1.00 0.68 C ATOM 1786 C GLU A 108 6.822 -6.345 -17.331 1.00 0.57 C ATOM 1787 O GLU A 108 6.358 -5.492 -18.089 1.00 0.55 O ATOM 1788 CB GLU A 108 9.032 -7.514 -17.738 1.00 0.81 C ATOM 1789 CG GLU A 108 9.034 -7.340 -19.264 1.00 0.99 C ATOM 1790 CD GLU A 108 9.892 -6.148 -19.721 1.00 2.37 C ATOM 1791 OE1 GLU A 108 9.390 -5.000 -19.746 1.00 3.92 O ATOM 1792 OE2 GLU A 108 11.076 -6.357 -20.074 1.00 2.70 O ATOM 0 H GLU A 108 8.948 -7.408 -15.281 1.00 0.63 H new ATOM 0 HA GLU A 108 8.742 -5.419 -17.315 1.00 0.68 H new ATOM 0 HB2 GLU A 108 10.062 -7.581 -17.386 1.00 0.81 H new ATOM 0 HB3 GLU A 108 8.547 -8.458 -17.488 1.00 0.81 H new ATOM 0 HG2 GLU A 108 9.408 -8.252 -19.730 1.00 0.99 H new ATOM 0 HG3 GLU A 108 8.010 -7.201 -19.612 1.00 0.99 H new ATOM 1799 N ALA A 109 6.045 -7.259 -16.749 1.00 0.52 N ATOM 1800 CA ALA A 109 4.596 -7.306 -16.927 1.00 0.49 C ATOM 1801 C ALA A 109 3.885 -6.058 -16.383 1.00 0.36 C ATOM 1802 O ALA A 109 3.007 -5.505 -17.044 1.00 0.38 O ATOM 1803 CB ALA A 109 4.118 -8.600 -16.304 1.00 0.56 C ATOM 0 H ALA A 109 6.407 -7.991 -16.138 1.00 0.52 H new ATOM 0 HA ALA A 109 4.341 -7.294 -17.987 1.00 0.49 H new ATOM 0 HB1 ALA A 109 3.036 -8.679 -16.414 1.00 0.56 H new ATOM 0 HB2 ALA A 109 4.596 -9.443 -16.804 1.00 0.56 H new ATOM 0 HB3 ALA A 109 4.377 -8.612 -15.245 1.00 0.56 H new ATOM 1809 N ALA A 110 4.291 -5.570 -15.213 1.00 0.31 N ATOM 1810 CA ALA A 110 3.782 -4.335 -14.625 1.00 0.30 C ATOM 1811 C ALA A 110 4.101 -3.127 -15.522 1.00 0.33 C ATOM 1812 O ALA A 110 3.202 -2.366 -15.885 1.00 0.39 O ATOM 1813 CB ALA A 110 4.403 -4.227 -13.225 1.00 0.33 C ATOM 0 H ALA A 110 4.996 -6.031 -14.637 1.00 0.31 H new ATOM 0 HA ALA A 110 2.695 -4.346 -14.541 1.00 0.30 H new ATOM 0 HB1 ALA A 110 4.052 -3.316 -12.741 1.00 0.33 H new ATOM 0 HB2 ALA A 110 4.109 -5.091 -12.629 1.00 0.33 H new ATOM 0 HB3 ALA A 110 5.489 -4.198 -13.310 1.00 0.33 H new ATOM 1819 N ARG A 111 5.355 -3.019 -15.972 1.00 0.37 N ATOM 1820 CA ARG A 111 5.845 -2.006 -16.911 1.00 0.43 C ATOM 1821 C ARG A 111 5.050 -2.019 -18.226 1.00 0.43 C ATOM 1822 O ARG A 111 4.666 -0.953 -18.711 1.00 0.47 O ATOM 1823 CB ARG A 111 7.350 -2.267 -17.102 1.00 0.58 C ATOM 1824 CG ARG A 111 8.090 -1.369 -18.098 1.00 0.88 C ATOM 1825 CD ARG A 111 9.575 -1.759 -18.081 1.00 1.58 C ATOM 1826 NE ARG A 111 10.349 -1.006 -19.083 1.00 2.57 N ATOM 1827 CZ ARG A 111 10.681 -1.411 -20.305 1.00 2.92 C ATOM 1828 NH1 ARG A 111 10.356 -2.594 -20.785 1.00 2.79 N ATOM 1829 NH2 ARG A 111 11.369 -0.605 -21.086 1.00 4.15 N ATOM 0 H ARG A 111 6.088 -3.664 -15.678 1.00 0.37 H new ATOM 0 HA ARG A 111 5.699 -1.000 -16.518 1.00 0.43 H new ATOM 0 HB2 ARG A 111 7.837 -2.170 -16.132 1.00 0.58 H new ATOM 0 HB3 ARG A 111 7.477 -3.302 -17.420 1.00 0.58 H new ATOM 0 HG2 ARG A 111 7.676 -1.490 -19.099 1.00 0.88 H new ATOM 0 HG3 ARG A 111 7.969 -0.320 -17.827 1.00 0.88 H new ATOM 0 HD2 ARG A 111 9.988 -1.575 -17.089 1.00 1.58 H new ATOM 0 HD3 ARG A 111 9.673 -2.827 -18.274 1.00 1.58 H new ATOM 0 HE ARG A 111 10.664 -0.075 -18.810 1.00 2.57 H new ATOM 0 HH11 ARG A 111 9.824 -3.249 -20.211 1.00 2.79 H new ATOM 0 HH12 ARG A 111 10.636 -2.855 -21.730 1.00 2.79 H new ATOM 0 HH21 ARG A 111 11.642 0.319 -20.752 1.00 4.15 H new ATOM 0 HH22 ARG A 111 11.629 -0.905 -22.026 1.00 4.15 H new ATOM 1843 N ALA A 112 4.715 -3.199 -18.753 1.00 0.44 N ATOM 1844 CA ALA A 112 3.873 -3.364 -19.945 1.00 0.50 C ATOM 1845 C ALA A 112 2.435 -2.855 -19.729 1.00 0.50 C ATOM 1846 O ALA A 112 1.869 -2.199 -20.604 1.00 0.57 O ATOM 1847 CB ALA A 112 3.885 -4.847 -20.336 1.00 0.55 C ATOM 0 H ALA A 112 5.027 -4.086 -18.357 1.00 0.44 H new ATOM 0 HA ALA A 112 4.281 -2.756 -20.753 1.00 0.50 H new ATOM 0 HB1 ALA A 112 3.265 -4.995 -21.220 1.00 0.55 H new ATOM 0 HB2 ALA A 112 4.907 -5.158 -20.553 1.00 0.55 H new ATOM 0 HB3 ALA A 112 3.491 -5.443 -19.513 1.00 0.55 H new ATOM 1853 N HIS A 113 1.852 -3.123 -18.559 1.00 0.44 N ATOM 1854 CA HIS A 113 0.530 -2.626 -18.157 1.00 0.47 C ATOM 1855 C HIS A 113 0.482 -1.119 -17.799 1.00 0.52 C ATOM 1856 O HIS A 113 -0.613 -0.563 -17.679 1.00 0.59 O ATOM 1857 CB HIS A 113 -0.008 -3.522 -17.029 1.00 0.43 C ATOM 1858 CG HIS A 113 -0.443 -4.871 -17.550 1.00 0.41 C ATOM 1859 ND1 HIS A 113 0.312 -6.020 -17.568 1.00 0.42 N ATOM 1860 CD2 HIS A 113 -1.635 -5.170 -18.156 1.00 0.44 C ATOM 1861 CE1 HIS A 113 -0.398 -6.985 -18.173 1.00 0.45 C ATOM 1862 NE2 HIS A 113 -1.599 -6.514 -18.554 1.00 0.46 N ATOM 0 H HIS A 113 2.294 -3.705 -17.847 1.00 0.44 H new ATOM 0 HA HIS A 113 -0.124 -2.691 -19.027 1.00 0.47 H new ATOM 0 HB2 HIS A 113 0.763 -3.656 -16.271 1.00 0.43 H new ATOM 0 HB3 HIS A 113 -0.851 -3.030 -16.543 1.00 0.43 H new ATOM 0 HD1 HIS A 113 1.252 -6.122 -17.186 1.00 0.42 H new ATOM 0 HD2 HIS A 113 -2.460 -4.488 -18.302 1.00 0.44 H new ATOM 0 HE1 HIS A 113 -0.054 -7.996 -18.331 1.00 0.45 H new ATOM 1870 N GLY A 114 1.637 -0.450 -17.654 1.00 0.51 N ATOM 1871 CA GLY A 114 1.742 1.000 -17.382 1.00 0.54 C ATOM 1872 C GLY A 114 2.309 1.354 -16.009 1.00 0.54 C ATOM 1873 O GLY A 114 2.441 2.535 -15.710 1.00 0.58 O ATOM 0 H GLY A 114 2.546 -0.908 -17.723 1.00 0.51 H new ATOM 0 HA2 GLY A 114 2.371 1.454 -18.148 1.00 0.54 H new ATOM 0 HA3 GLY A 114 0.752 1.446 -17.477 1.00 0.54 H new ATOM 1877 N LEU A 115 2.668 0.368 -15.186 1.00 0.53 N ATOM 1878 CA LEU A 115 3.185 0.563 -13.835 1.00 0.55 C ATOM 1879 C LEU A 115 4.709 0.783 -13.902 1.00 0.62 C ATOM 1880 O LEU A 115 5.473 -0.184 -13.926 1.00 1.11 O ATOM 1881 CB LEU A 115 2.783 -0.646 -12.960 1.00 0.52 C ATOM 1882 CG LEU A 115 1.274 -0.866 -12.676 1.00 0.55 C ATOM 1883 CD1 LEU A 115 0.453 -1.419 -13.854 1.00 0.91 C ATOM 1884 CD2 LEU A 115 1.132 -1.872 -11.521 1.00 0.96 C ATOM 0 H LEU A 115 2.605 -0.615 -15.450 1.00 0.53 H new ATOM 0 HA LEU A 115 2.755 1.451 -13.372 1.00 0.55 H new ATOM 0 HB2 LEU A 115 3.168 -1.547 -13.437 1.00 0.52 H new ATOM 0 HB3 LEU A 115 3.293 -0.550 -12.002 1.00 0.52 H new ATOM 0 HG LEU A 115 0.880 0.125 -12.451 1.00 0.55 H new ATOM 0 HD11 LEU A 115 -0.587 -1.535 -13.550 1.00 0.91 H new ATOM 0 HD12 LEU A 115 0.510 -0.727 -14.694 1.00 0.91 H new ATOM 0 HD13 LEU A 115 0.854 -2.387 -14.154 1.00 0.91 H new ATOM 0 HD21 LEU A 115 0.075 -2.037 -11.310 1.00 0.96 H new ATOM 0 HD22 LEU A 115 1.598 -2.817 -11.802 1.00 0.96 H new ATOM 0 HD23 LEU A 115 1.622 -1.476 -10.632 1.00 0.96 H new ATOM 1896 N ARG A 116 5.156 2.045 -14.002 1.00 0.58 N ATOM 1897 CA ARG A 116 6.543 2.413 -14.368 1.00 0.62 C ATOM 1898 C ARG A 116 7.490 2.695 -13.193 1.00 0.71 C ATOM 1899 O ARG A 116 8.694 2.720 -13.423 1.00 1.08 O ATOM 1900 CB ARG A 116 6.556 3.603 -15.345 1.00 0.67 C ATOM 1901 CG ARG A 116 5.760 3.383 -16.641 1.00 0.80 C ATOM 1902 CD ARG A 116 6.267 2.185 -17.458 1.00 1.15 C ATOM 1903 NE ARG A 116 5.352 1.788 -18.541 1.00 2.19 N ATOM 1904 CZ ARG A 116 5.085 2.423 -19.674 1.00 2.20 C ATOM 1905 NH1 ARG A 116 5.569 3.614 -19.950 1.00 2.43 N ATOM 1906 NH2 ARG A 116 4.314 1.832 -20.560 1.00 3.50 N ATOM 0 H ARG A 116 4.559 2.854 -13.829 1.00 0.58 H new ATOM 0 HA ARG A 116 6.937 1.516 -14.847 1.00 0.62 H new ATOM 0 HB2 ARG A 116 6.156 4.479 -14.834 1.00 0.67 H new ATOM 0 HB3 ARG A 116 7.590 3.830 -15.605 1.00 0.67 H new ATOM 0 HG2 ARG A 116 4.709 3.230 -16.394 1.00 0.80 H new ATOM 0 HG3 ARG A 116 5.816 4.283 -17.253 1.00 0.80 H new ATOM 0 HD2 ARG A 116 7.239 2.431 -17.885 1.00 1.15 H new ATOM 0 HD3 ARG A 116 6.418 1.337 -16.790 1.00 1.15 H new ATOM 0 HE ARG A 116 4.858 0.907 -18.401 1.00 2.19 H new ATOM 0 HH11 ARG A 116 6.176 4.086 -19.280 1.00 2.43 H new ATOM 0 HH12 ARG A 116 5.337 4.066 -20.835 1.00 2.43 H new ATOM 0 HH21 ARG A 116 3.935 0.905 -20.368 1.00 3.50 H new ATOM 0 HH22 ARG A 116 4.095 2.301 -21.439 1.00 3.50 H new ATOM 1920 N ARG A 117 6.978 2.865 -11.971 1.00 0.51 N ATOM 1921 CA ARG A 117 7.635 2.751 -10.648 1.00 0.41 C ATOM 1922 C ARG A 117 6.525 2.567 -9.602 1.00 0.44 C ATOM 1923 O ARG A 117 5.340 2.660 -9.926 1.00 0.63 O ATOM 1924 CB ARG A 117 8.509 3.965 -10.232 1.00 0.65 C ATOM 1925 CG ARG A 117 9.708 4.382 -11.093 1.00 0.77 C ATOM 1926 CD ARG A 117 10.706 3.275 -11.468 1.00 0.69 C ATOM 1927 NE ARG A 117 11.847 3.122 -10.547 1.00 0.98 N ATOM 1928 CZ ARG A 117 12.963 2.471 -10.867 1.00 1.14 C ATOM 1929 NH1 ARG A 117 13.111 1.866 -12.026 1.00 1.66 N ATOM 1930 NH2 ARG A 117 13.979 2.396 -10.041 1.00 1.62 N ATOM 0 H ARG A 117 5.994 3.111 -11.863 1.00 0.51 H new ATOM 0 HA ARG A 117 8.323 1.908 -10.712 1.00 0.41 H new ATOM 0 HB2 ARG A 117 7.848 4.829 -10.157 1.00 0.65 H new ATOM 0 HB3 ARG A 117 8.885 3.764 -9.229 1.00 0.65 H new ATOM 0 HG2 ARG A 117 9.328 4.824 -12.014 1.00 0.77 H new ATOM 0 HG3 ARG A 117 10.251 5.165 -10.564 1.00 0.77 H new ATOM 0 HD2 ARG A 117 10.171 2.327 -11.519 1.00 0.69 H new ATOM 0 HD3 ARG A 117 11.091 3.478 -12.467 1.00 0.69 H new ATOM 0 HE ARG A 117 11.778 3.536 -9.617 1.00 0.98 H new ATOM 0 HH11 ARG A 117 12.357 1.887 -12.712 1.00 1.66 H new ATOM 0 HH12 ARG A 117 13.980 1.376 -12.238 1.00 1.66 H new ATOM 0 HH21 ARG A 117 13.926 2.844 -9.126 1.00 1.62 H new ATOM 0 HH22 ARG A 117 14.822 1.890 -10.314 1.00 1.62 H new ATOM 1944 N GLY A 118 6.894 2.351 -8.341 1.00 0.40 N ATOM 1945 CA GLY A 118 5.947 2.349 -7.226 1.00 0.43 C ATOM 1946 C GLY A 118 6.588 2.542 -5.860 1.00 0.45 C ATOM 1947 O GLY A 118 7.811 2.543 -5.719 1.00 0.56 O ATOM 0 H GLY A 118 7.859 2.172 -8.062 1.00 0.40 H new ATOM 0 HA2 GLY A 118 5.214 3.140 -7.386 1.00 0.43 H new ATOM 0 HA3 GLY A 118 5.402 1.405 -7.229 1.00 0.43 H new ATOM 1951 N VAL A 119 5.728 2.757 -4.869 1.00 0.38 N ATOM 1952 CA VAL A 119 6.083 3.166 -3.500 1.00 0.37 C ATOM 1953 C VAL A 119 5.228 2.353 -2.520 1.00 0.38 C ATOM 1954 O VAL A 119 4.019 2.229 -2.718 1.00 0.47 O ATOM 1955 CB VAL A 119 5.915 4.706 -3.323 1.00 0.45 C ATOM 1956 CG1 VAL A 119 6.898 5.464 -4.237 1.00 0.68 C ATOM 1957 CG2 VAL A 119 4.501 5.224 -3.633 1.00 0.61 C ATOM 0 H VAL A 119 4.722 2.649 -4.996 1.00 0.38 H new ATOM 0 HA VAL A 119 7.133 2.958 -3.294 1.00 0.37 H new ATOM 0 HB VAL A 119 6.117 4.891 -2.268 1.00 0.45 H new ATOM 0 HG11 VAL A 119 6.767 6.538 -4.101 1.00 0.68 H new ATOM 0 HG12 VAL A 119 7.921 5.187 -3.980 1.00 0.68 H new ATOM 0 HG13 VAL A 119 6.702 5.204 -5.277 1.00 0.68 H new ATOM 0 HG21 VAL A 119 4.469 6.304 -3.486 1.00 0.61 H new ATOM 0 HG22 VAL A 119 4.247 4.991 -4.667 1.00 0.61 H new ATOM 0 HG23 VAL A 119 3.784 4.745 -2.966 1.00 0.61 H new ATOM 1967 N THR A 120 5.856 1.749 -1.502 1.00 0.34 N ATOM 1968 CA THR A 120 5.316 0.573 -0.790 1.00 0.32 C ATOM 1969 C THR A 120 5.558 0.658 0.716 1.00 0.42 C ATOM 1970 O THR A 120 6.538 1.238 1.183 1.00 0.44 O ATOM 1971 CB THR A 120 5.908 -0.702 -1.404 1.00 0.35 C ATOM 1972 OG1 THR A 120 5.476 -0.754 -2.742 1.00 0.43 O ATOM 1973 CG2 THR A 120 5.426 -1.987 -0.742 1.00 0.54 C ATOM 0 H THR A 120 6.759 2.061 -1.144 1.00 0.34 H new ATOM 0 HA THR A 120 4.233 0.548 -0.913 1.00 0.32 H new ATOM 0 HB THR A 120 6.990 -0.649 -1.279 1.00 0.35 H new ATOM 0 HG1 THR A 120 6.253 -0.721 -3.338 1.00 0.43 H new ATOM 0 HG21 THR A 120 5.889 -2.844 -1.231 1.00 0.54 H new ATOM 0 HG22 THR A 120 5.702 -1.979 0.312 1.00 0.54 H new ATOM 0 HG23 THR A 120 4.342 -2.059 -0.833 1.00 0.54 H new ATOM 1981 N GLN A 121 4.629 0.125 1.504 1.00 0.54 N ATOM 1982 CA GLN A 121 4.641 0.257 2.962 1.00 0.53 C ATOM 1983 C GLN A 121 3.952 -0.917 3.677 1.00 0.55 C ATOM 1984 O GLN A 121 3.207 -1.695 3.081 1.00 0.72 O ATOM 1985 CB GLN A 121 4.020 1.609 3.355 1.00 0.54 C ATOM 1986 CG GLN A 121 2.568 1.721 2.871 1.00 2.91 C ATOM 1987 CD GLN A 121 2.341 2.845 1.877 1.00 4.56 C ATOM 1988 OE1 GLN A 121 2.326 2.532 0.601 1.00 5.25 O flip ATOM 1989 NE2 GLN A 121 2.151 3.999 2.230 1.00 6.35 N flip ATOM 0 H GLN A 121 3.840 -0.415 1.149 1.00 0.54 H new ATOM 0 HA GLN A 121 5.679 0.227 3.294 1.00 0.53 H new ATOM 0 HB2 GLN A 121 4.054 1.725 4.438 1.00 0.54 H new ATOM 0 HB3 GLN A 121 4.611 2.420 2.929 1.00 0.54 H new ATOM 0 HG2 GLN A 121 2.274 0.777 2.412 1.00 2.91 H new ATOM 0 HG3 GLN A 121 1.918 1.873 3.733 1.00 2.91 H new ATOM 0 HE21 GLN A 121 2.163 4.238 3.222 1.00 6.35 H new ATOM 0 HE22 GLN A 121 1.980 4.724 1.533 1.00 6.35 H new ATOM 1998 N TYR A 122 4.211 -1.000 4.981 1.00 0.56 N ATOM 1999 CA TYR A 122 3.882 -2.099 5.895 1.00 0.56 C ATOM 2000 C TYR A 122 3.610 -1.533 7.298 1.00 0.67 C ATOM 2001 O TYR A 122 4.230 -0.539 7.692 1.00 0.80 O ATOM 2002 CB TYR A 122 5.098 -3.045 5.913 1.00 0.56 C ATOM 2003 CG TYR A 122 5.341 -3.895 7.150 1.00 0.59 C ATOM 2004 CD1 TYR A 122 6.044 -3.347 8.242 1.00 1.67 C ATOM 2005 CD2 TYR A 122 4.963 -5.248 7.174 1.00 1.71 C ATOM 2006 CE1 TYR A 122 6.362 -4.145 9.357 1.00 1.68 C ATOM 2007 CE2 TYR A 122 5.298 -6.061 8.274 1.00 1.81 C ATOM 2008 CZ TYR A 122 5.996 -5.510 9.373 1.00 0.84 C ATOM 2009 OH TYR A 122 6.328 -6.288 10.441 1.00 1.01 O ATOM 0 H TYR A 122 4.694 -0.243 5.466 1.00 0.56 H new ATOM 0 HA TYR A 122 2.990 -2.636 5.574 1.00 0.56 H new ATOM 0 HB2 TYR A 122 5.006 -3.719 5.061 1.00 0.56 H new ATOM 0 HB3 TYR A 122 5.990 -2.441 5.746 1.00 0.56 H new ATOM 0 HD1 TYR A 122 6.340 -2.309 8.223 1.00 1.67 H new ATOM 0 HD2 TYR A 122 4.413 -5.667 6.344 1.00 1.71 H new ATOM 0 HE1 TYR A 122 6.885 -3.715 10.199 1.00 1.68 H new ATOM 0 HE2 TYR A 122 5.022 -7.105 8.278 1.00 1.81 H new ATOM 0 HH TYR A 122 6.002 -7.201 10.295 1.00 1.01 H new ATOM 2019 N LEU A 123 2.743 -2.188 8.078 1.00 0.71 N ATOM 2020 CA LEU A 123 2.582 -1.888 9.505 1.00 0.81 C ATOM 2021 C LEU A 123 2.066 -3.096 10.294 1.00 0.85 C ATOM 2022 O LEU A 123 1.178 -3.818 9.841 1.00 0.93 O ATOM 2023 CB LEU A 123 1.683 -0.647 9.679 1.00 0.90 C ATOM 2024 CG LEU A 123 1.590 -0.120 11.125 1.00 1.48 C ATOM 2025 CD1 LEU A 123 2.936 0.420 11.634 1.00 1.45 C ATOM 2026 CD2 LEU A 123 0.554 1.002 11.178 1.00 2.55 C ATOM 0 H LEU A 123 2.137 -2.936 7.741 1.00 0.71 H new ATOM 0 HA LEU A 123 3.563 -1.660 9.923 1.00 0.81 H new ATOM 0 HB2 LEU A 123 2.060 0.151 9.039 1.00 0.90 H new ATOM 0 HB3 LEU A 123 0.680 -0.890 9.329 1.00 0.90 H new ATOM 0 HG LEU A 123 1.301 -0.953 11.766 1.00 1.48 H new ATOM 0 HD11 LEU A 123 2.820 0.780 12.656 1.00 1.45 H new ATOM 0 HD12 LEU A 123 3.680 -0.377 11.612 1.00 1.45 H new ATOM 0 HD13 LEU A 123 3.264 1.240 10.996 1.00 1.45 H new ATOM 0 HD21 LEU A 123 0.481 1.382 12.197 1.00 2.55 H new ATOM 0 HD22 LEU A 123 0.857 1.809 10.511 1.00 2.55 H new ATOM 0 HD23 LEU A 123 -0.416 0.617 10.864 1.00 2.55 H new ATOM 2038 N MET A 124 2.616 -3.262 11.499 1.00 0.86 N ATOM 2039 CA MET A 124 2.382 -4.369 12.432 1.00 0.86 C ATOM 2040 C MET A 124 1.652 -3.807 13.665 1.00 0.97 C ATOM 2041 O MET A 124 2.154 -2.887 14.317 1.00 1.02 O ATOM 2042 CB MET A 124 3.776 -4.919 12.813 1.00 0.82 C ATOM 2043 CG MET A 124 3.803 -6.339 13.388 1.00 1.01 C ATOM 2044 SD MET A 124 2.802 -6.652 14.864 1.00 1.71 S ATOM 2045 CE MET A 124 1.645 -7.851 14.155 1.00 1.27 C ATOM 0 H MET A 124 3.279 -2.584 11.874 1.00 0.86 H new ATOM 0 HA MET A 124 1.771 -5.164 12.004 1.00 0.86 H new ATOM 0 HB2 MET A 124 4.409 -4.895 11.926 1.00 0.82 H new ATOM 0 HB3 MET A 124 4.224 -4.244 13.542 1.00 0.82 H new ATOM 0 HG2 MET A 124 3.478 -7.026 12.607 1.00 1.01 H new ATOM 0 HG3 MET A 124 4.838 -6.589 13.622 1.00 1.01 H new ATOM 0 HE1 MET A 124 0.825 -8.022 14.853 1.00 1.27 H new ATOM 0 HE2 MET A 124 1.248 -7.463 13.217 1.00 1.27 H new ATOM 0 HE3 MET A 124 2.164 -8.791 13.968 1.00 1.27 H new ATOM 2055 N LEU A 125 0.477 -4.351 13.997 1.00 1.09 N ATOM 2056 CA LEU A 125 -0.336 -3.938 15.149 1.00 1.20 C ATOM 2057 C LEU A 125 -0.212 -5.002 16.256 1.00 1.07 C ATOM 2058 O LEU A 125 -0.601 -6.150 16.007 1.00 1.21 O ATOM 2059 CB LEU A 125 -1.807 -3.764 14.708 1.00 1.50 C ATOM 2060 CG LEU A 125 -2.209 -2.337 14.277 1.00 1.12 C ATOM 2061 CD1 LEU A 125 -1.375 -1.803 13.103 1.00 1.90 C ATOM 2062 CD2 LEU A 125 -3.696 -2.325 13.888 1.00 2.43 C ATOM 0 H LEU A 125 0.054 -5.108 13.461 1.00 1.09 H new ATOM 0 HA LEU A 125 0.017 -2.983 15.539 1.00 1.20 H new ATOM 0 HB2 LEU A 125 -2.002 -4.443 13.878 1.00 1.50 H new ATOM 0 HB3 LEU A 125 -2.453 -4.072 15.530 1.00 1.50 H new ATOM 0 HG LEU A 125 -2.020 -1.682 15.127 1.00 1.12 H new ATOM 0 HD11 LEU A 125 -1.707 -0.796 12.849 1.00 1.90 H new ATOM 0 HD12 LEU A 125 -0.323 -1.777 13.386 1.00 1.90 H new ATOM 0 HD13 LEU A 125 -1.502 -2.456 12.240 1.00 1.90 H new ATOM 0 HD21 LEU A 125 -3.984 -1.319 13.583 1.00 2.43 H new ATOM 0 HD22 LEU A 125 -3.861 -3.016 13.062 1.00 2.43 H new ATOM 0 HD23 LEU A 125 -4.298 -2.631 14.743 1.00 2.43 H new ATOM 2074 N PRO A 126 0.280 -4.662 17.470 1.00 1.01 N ATOM 2075 CA PRO A 126 0.495 -5.628 18.553 1.00 1.08 C ATOM 2076 C PRO A 126 -0.808 -6.225 19.111 1.00 1.11 C ATOM 2077 O PRO A 126 -0.762 -7.253 19.785 1.00 1.28 O ATOM 2078 CB PRO A 126 1.286 -4.872 19.627 1.00 1.29 C ATOM 2079 CG PRO A 126 0.867 -3.420 19.417 1.00 1.26 C ATOM 2080 CD PRO A 126 0.709 -3.336 17.900 1.00 1.11 C ATOM 0 HA PRO A 126 1.039 -6.497 18.183 1.00 1.08 H new ATOM 0 HB2 PRO A 126 1.038 -5.221 20.629 1.00 1.29 H new ATOM 0 HB3 PRO A 126 2.361 -5.002 19.501 1.00 1.29 H new ATOM 0 HG2 PRO A 126 -0.063 -3.187 19.935 1.00 1.26 H new ATOM 0 HG3 PRO A 126 1.620 -2.723 19.786 1.00 1.26 H new ATOM 0 HD2 PRO A 126 -0.026 -2.579 17.625 1.00 1.11 H new ATOM 0 HD3 PRO A 126 1.649 -3.056 17.424 1.00 1.11 H new ATOM 2088 N GLU A 127 -1.968 -5.641 18.786 1.00 1.15 N ATOM 2089 CA GLU A 127 -3.301 -6.220 19.003 1.00 1.39 C ATOM 2090 C GLU A 127 -3.571 -7.467 18.125 1.00 1.61 C ATOM 2091 O GLU A 127 -4.620 -8.098 18.270 1.00 2.49 O ATOM 2092 CB GLU A 127 -4.385 -5.154 18.744 1.00 1.72 C ATOM 2093 CG GLU A 127 -4.284 -3.884 19.612 1.00 1.98 C ATOM 2094 CD GLU A 127 -3.216 -2.862 19.173 1.00 2.73 C ATOM 2095 OE1 GLU A 127 -2.611 -3.014 18.087 1.00 3.54 O ATOM 2096 OE2 GLU A 127 -2.983 -1.890 19.931 1.00 3.61 O ATOM 0 H GLU A 127 -2.006 -4.720 18.349 1.00 1.15 H new ATOM 0 HA GLU A 127 -3.336 -6.550 20.041 1.00 1.39 H new ATOM 0 HB2 GLU A 127 -4.339 -4.861 17.695 1.00 1.72 H new ATOM 0 HB3 GLU A 127 -5.363 -5.608 18.906 1.00 1.72 H new ATOM 0 HG2 GLU A 127 -5.255 -3.389 19.615 1.00 1.98 H new ATOM 0 HG3 GLU A 127 -4.075 -4.183 20.639 1.00 1.98 H new ATOM 2103 N ARG A 128 -2.634 -7.809 17.221 1.00 1.58 N ATOM 2104 CA ARG A 128 -2.503 -9.039 16.416 1.00 2.07 C ATOM 2105 C ARG A 128 -3.065 -8.872 14.986 1.00 1.43 C ATOM 2106 O ARG A 128 -3.708 -9.778 14.449 1.00 2.25 O ATOM 2107 CB ARG A 128 -3.036 -10.289 17.153 1.00 3.35 C ATOM 2108 CG ARG A 128 -2.314 -11.572 16.715 1.00 4.39 C ATOM 2109 CD ARG A 128 -3.094 -12.813 17.164 1.00 5.09 C ATOM 2110 NE ARG A 128 -2.423 -14.056 16.746 1.00 6.64 N ATOM 2111 CZ ARG A 128 -1.465 -14.704 17.400 1.00 7.65 C ATOM 2112 NH1 ARG A 128 -0.953 -14.248 18.526 1.00 7.49 N ATOM 2113 NH2 ARG A 128 -1.002 -15.838 16.923 1.00 9.25 N ATOM 0 H ARG A 128 -1.871 -7.164 17.015 1.00 1.58 H new ATOM 0 HA ARG A 128 -1.435 -9.217 16.286 1.00 2.07 H new ATOM 0 HB2 ARG A 128 -2.914 -10.154 18.228 1.00 3.35 H new ATOM 0 HB3 ARG A 128 -4.104 -10.392 16.964 1.00 3.35 H new ATOM 0 HG2 ARG A 128 -2.201 -11.580 15.631 1.00 4.39 H new ATOM 0 HG3 ARG A 128 -1.310 -11.594 17.140 1.00 4.39 H new ATOM 0 HD2 ARG A 128 -3.201 -12.804 18.249 1.00 5.09 H new ATOM 0 HD3 ARG A 128 -4.100 -12.783 16.744 1.00 5.09 H new ATOM 0 HE ARG A 128 -2.726 -14.462 15.861 1.00 6.64 H new ATOM 0 HH11 ARG A 128 -1.292 -13.371 18.922 1.00 7.49 H new ATOM 0 HH12 ARG A 128 -0.218 -14.772 19.001 1.00 7.49 H new ATOM 0 HH21 ARG A 128 -1.378 -16.217 16.054 1.00 9.25 H new ATOM 0 HH22 ARG A 128 -0.267 -16.339 17.422 1.00 9.25 H new ATOM 2127 N ALA A 129 -2.842 -7.709 14.361 1.00 1.47 N ATOM 2128 CA ALA A 129 -3.247 -7.406 12.980 1.00 1.18 C ATOM 2129 C ALA A 129 -2.051 -6.958 12.116 1.00 0.96 C ATOM 2130 O ALA A 129 -1.048 -6.465 12.636 1.00 1.30 O ATOM 2131 CB ALA A 129 -4.365 -6.355 13.011 1.00 1.87 C ATOM 0 H ALA A 129 -2.362 -6.931 14.813 1.00 1.47 H new ATOM 0 HA ALA A 129 -3.627 -8.313 12.510 1.00 1.18 H new ATOM 0 HB1 ALA A 129 -4.674 -6.122 11.992 1.00 1.87 H new ATOM 0 HB2 ALA A 129 -5.217 -6.746 13.568 1.00 1.87 H new ATOM 0 HB3 ALA A 129 -4.000 -5.449 13.495 1.00 1.87 H new ATOM 2137 N LEU A 130 -2.153 -7.132 10.795 1.00 0.74 N ATOM 2138 CA LEU A 130 -1.058 -6.892 9.850 1.00 0.77 C ATOM 2139 C LEU A 130 -1.607 -6.438 8.489 1.00 0.65 C ATOM 2140 O LEU A 130 -2.644 -6.928 8.035 1.00 0.61 O ATOM 2141 CB LEU A 130 -0.231 -8.196 9.754 1.00 1.19 C ATOM 2142 CG LEU A 130 1.169 -8.063 9.123 1.00 0.97 C ATOM 2143 CD1 LEU A 130 2.088 -7.173 9.963 1.00 1.77 C ATOM 2144 CD2 LEU A 130 1.834 -9.442 9.052 1.00 2.03 C ATOM 0 H LEU A 130 -3.012 -7.448 10.345 1.00 0.74 H new ATOM 0 HA LEU A 130 -0.411 -6.085 10.194 1.00 0.77 H new ATOM 0 HB2 LEU A 130 -0.118 -8.606 10.758 1.00 1.19 H new ATOM 0 HB3 LEU A 130 -0.801 -8.923 9.175 1.00 1.19 H new ATOM 0 HG LEU A 130 1.032 -7.624 8.135 1.00 0.97 H new ATOM 0 HD11 LEU A 130 3.065 -7.105 9.485 1.00 1.77 H new ATOM 0 HD12 LEU A 130 1.654 -6.177 10.045 1.00 1.77 H new ATOM 0 HD13 LEU A 130 2.201 -7.603 10.958 1.00 1.77 H new ATOM 0 HD21 LEU A 130 2.824 -9.346 8.606 1.00 2.03 H new ATOM 0 HD22 LEU A 130 1.928 -9.853 10.057 1.00 2.03 H new ATOM 0 HD23 LEU A 130 1.224 -10.109 8.443 1.00 2.03 H new ATOM 2156 N GLY A 131 -0.936 -5.486 7.840 1.00 0.76 N ATOM 2157 CA GLY A 131 -1.358 -4.962 6.536 1.00 0.68 C ATOM 2158 C GLY A 131 -0.269 -4.246 5.747 1.00 0.67 C ATOM 2159 O GLY A 131 0.823 -3.968 6.254 1.00 0.87 O ATOM 0 H GLY A 131 -0.085 -5.055 8.201 1.00 0.76 H new ATOM 0 HA2 GLY A 131 -1.738 -5.788 5.935 1.00 0.68 H new ATOM 0 HA3 GLY A 131 -2.188 -4.272 6.690 1.00 0.68 H new ATOM 2163 N PHE A 132 -0.610 -3.933 4.498 1.00 0.55 N ATOM 2164 CA PHE A 132 0.263 -3.335 3.489 1.00 0.53 C ATOM 2165 C PHE A 132 -0.557 -2.420 2.563 1.00 0.49 C ATOM 2166 O PHE A 132 -1.759 -2.626 2.380 1.00 0.61 O ATOM 2167 CB PHE A 132 0.947 -4.435 2.644 1.00 0.71 C ATOM 2168 CG PHE A 132 1.441 -5.675 3.373 1.00 1.05 C ATOM 2169 CD1 PHE A 132 0.542 -6.719 3.673 1.00 2.53 C ATOM 2170 CD2 PHE A 132 2.803 -5.817 3.703 1.00 2.11 C ATOM 2171 CE1 PHE A 132 0.994 -7.885 4.317 1.00 3.17 C ATOM 2172 CE2 PHE A 132 3.260 -6.995 4.321 1.00 2.87 C ATOM 2173 CZ PHE A 132 2.355 -8.025 4.638 1.00 2.92 C ATOM 0 H PHE A 132 -1.552 -4.098 4.144 1.00 0.55 H new ATOM 0 HA PHE A 132 1.028 -2.750 3.999 1.00 0.53 H new ATOM 0 HB2 PHE A 132 0.244 -4.755 1.875 1.00 0.71 H new ATOM 0 HB3 PHE A 132 1.797 -3.985 2.131 1.00 0.71 H new ATOM 0 HD1 PHE A 132 -0.500 -6.623 3.407 1.00 2.53 H new ATOM 0 HD2 PHE A 132 3.497 -5.020 3.481 1.00 2.11 H new ATOM 0 HE1 PHE A 132 0.296 -8.671 4.564 1.00 3.17 H new ATOM 0 HE2 PHE A 132 4.309 -7.109 4.553 1.00 2.87 H new ATOM 0 HZ PHE A 132 2.706 -8.922 5.127 1.00 2.92 H new ATOM 2183 N LEU A 133 0.099 -1.463 1.904 1.00 0.49 N ATOM 2184 CA LEU A 133 -0.476 -0.734 0.766 1.00 0.49 C ATOM 2185 C LEU A 133 0.634 -0.291 -0.194 1.00 0.45 C ATOM 2186 O LEU A 133 1.806 -0.197 0.179 1.00 0.49 O ATOM 2187 CB LEU A 133 -1.480 0.366 1.224 1.00 0.63 C ATOM 2188 CG LEU A 133 -0.893 1.696 1.737 1.00 0.70 C ATOM 2189 CD1 LEU A 133 -0.769 2.748 0.615 1.00 1.42 C ATOM 2190 CD2 LEU A 133 -1.736 2.294 2.872 1.00 1.57 C ATOM 0 H LEU A 133 1.046 -1.169 2.143 1.00 0.49 H new ATOM 0 HA LEU A 133 -1.105 -1.400 0.175 1.00 0.49 H new ATOM 0 HB2 LEU A 133 -2.139 0.590 0.385 1.00 0.63 H new ATOM 0 HB3 LEU A 133 -2.102 -0.054 2.014 1.00 0.63 H new ATOM 0 HG LEU A 133 0.101 1.452 2.112 1.00 0.70 H new ATOM 0 HD11 LEU A 133 -0.351 3.668 1.023 1.00 1.42 H new ATOM 0 HD12 LEU A 133 -0.114 2.368 -0.169 1.00 1.42 H new ATOM 0 HD13 LEU A 133 -1.755 2.952 0.197 1.00 1.42 H new ATOM 0 HD21 LEU A 133 -1.287 3.230 3.204 1.00 1.57 H new ATOM 0 HD22 LEU A 133 -2.748 2.484 2.513 1.00 1.57 H new ATOM 0 HD23 LEU A 133 -1.773 1.593 3.706 1.00 1.57 H new ATOM 2202 N SER A 134 0.286 -0.041 -1.447 1.00 0.41 N ATOM 2203 CA SER A 134 1.228 0.411 -2.474 1.00 0.40 C ATOM 2204 C SER A 134 0.548 1.379 -3.450 1.00 0.40 C ATOM 2205 O SER A 134 -0.640 1.233 -3.753 1.00 0.47 O ATOM 2206 CB SER A 134 1.817 -0.796 -3.222 1.00 0.46 C ATOM 2207 OG SER A 134 2.913 -0.411 -4.033 1.00 1.76 O ATOM 0 H SER A 134 -0.669 -0.146 -1.789 1.00 0.41 H new ATOM 0 HA SER A 134 2.042 0.946 -1.985 1.00 0.40 H new ATOM 0 HB2 SER A 134 2.140 -1.550 -2.504 1.00 0.46 H new ATOM 0 HB3 SER A 134 1.046 -1.255 -3.841 1.00 0.46 H new ATOM 0 HG SER A 134 3.749 -0.549 -3.540 1.00 1.76 H new ATOM 2213 N PHE A 135 1.302 2.359 -3.954 1.00 0.41 N ATOM 2214 CA PHE A 135 0.919 3.164 -5.113 1.00 0.40 C ATOM 2215 C PHE A 135 1.890 2.866 -6.258 1.00 0.36 C ATOM 2216 O PHE A 135 3.106 2.820 -6.056 1.00 0.34 O ATOM 2217 CB PHE A 135 0.922 4.668 -4.784 1.00 0.46 C ATOM 2218 CG PHE A 135 0.218 5.091 -3.505 1.00 0.53 C ATOM 2219 CD1 PHE A 135 -1.086 4.633 -3.224 1.00 1.85 C ATOM 2220 CD2 PHE A 135 0.857 5.967 -2.603 1.00 1.59 C ATOM 2221 CE1 PHE A 135 -1.737 5.032 -2.043 1.00 1.97 C ATOM 2222 CE2 PHE A 135 0.205 6.362 -1.422 1.00 1.63 C ATOM 2223 CZ PHE A 135 -1.092 5.894 -1.140 1.00 0.93 C ATOM 0 H PHE A 135 2.207 2.618 -3.562 1.00 0.41 H new ATOM 0 HA PHE A 135 -0.098 2.902 -5.405 1.00 0.40 H new ATOM 0 HB2 PHE A 135 1.958 5.001 -4.728 1.00 0.46 H new ATOM 0 HB3 PHE A 135 0.461 5.199 -5.617 1.00 0.46 H new ATOM 0 HD1 PHE A 135 -1.586 3.974 -3.918 1.00 1.85 H new ATOM 0 HD2 PHE A 135 1.849 6.335 -2.820 1.00 1.59 H new ATOM 0 HE1 PHE A 135 -2.734 4.675 -1.830 1.00 1.97 H new ATOM 0 HE2 PHE A 135 0.701 7.026 -0.729 1.00 1.63 H new ATOM 0 HZ PHE A 135 -1.591 6.197 -0.231 1.00 0.93 H new ATOM 2233 N SER A 136 1.355 2.705 -7.463 1.00 0.38 N ATOM 2234 CA SER A 136 2.138 2.728 -8.705 1.00 0.36 C ATOM 2235 C SER A 136 2.307 4.176 -9.207 1.00 0.49 C ATOM 2236 O SER A 136 1.687 5.096 -8.666 1.00 0.85 O ATOM 2237 CB SER A 136 1.432 1.851 -9.747 1.00 0.53 C ATOM 2238 OG SER A 136 2.187 1.753 -10.940 1.00 1.76 O ATOM 0 H SER A 136 0.358 2.553 -7.613 1.00 0.38 H new ATOM 0 HA SER A 136 3.137 2.330 -8.525 1.00 0.36 H new ATOM 0 HB2 SER A 136 1.269 0.855 -9.335 1.00 0.53 H new ATOM 0 HB3 SER A 136 0.450 2.268 -9.970 1.00 0.53 H new ATOM 0 HG SER A 136 1.830 2.378 -11.605 1.00 1.76 H new ATOM 2244 N ARG A 137 3.101 4.384 -10.263 1.00 0.40 N ATOM 2245 CA ARG A 137 3.164 5.625 -11.038 1.00 0.45 C ATOM 2246 C ARG A 137 3.643 5.392 -12.483 1.00 0.45 C ATOM 2247 O ARG A 137 4.582 4.628 -12.718 1.00 0.48 O ATOM 2248 CB ARG A 137 3.988 6.698 -10.309 1.00 0.58 C ATOM 2249 CG ARG A 137 5.471 6.337 -10.106 1.00 1.87 C ATOM 2250 CD ARG A 137 6.307 7.513 -9.591 1.00 2.28 C ATOM 2251 NE ARG A 137 6.054 7.814 -8.170 1.00 3.09 N ATOM 2252 CZ ARG A 137 6.540 8.856 -7.503 1.00 3.83 C ATOM 2253 NH1 ARG A 137 7.247 9.796 -8.096 1.00 4.04 N ATOM 2254 NH2 ARG A 137 6.327 8.968 -6.210 1.00 5.21 N ATOM 0 H ARG A 137 3.738 3.668 -10.612 1.00 0.40 H new ATOM 0 HA ARG A 137 2.146 6.005 -11.121 1.00 0.45 H new ATOM 0 HB2 ARG A 137 3.928 7.629 -10.872 1.00 0.58 H new ATOM 0 HB3 ARG A 137 3.536 6.885 -9.335 1.00 0.58 H new ATOM 0 HG2 ARG A 137 5.545 5.509 -9.401 1.00 1.87 H new ATOM 0 HG3 ARG A 137 5.887 5.988 -11.051 1.00 1.87 H new ATOM 0 HD2 ARG A 137 7.365 7.288 -9.727 1.00 2.28 H new ATOM 0 HD3 ARG A 137 6.089 8.398 -10.190 1.00 2.28 H new ATOM 0 HE ARG A 137 5.455 7.168 -7.655 1.00 3.09 H new ATOM 0 HH11 ARG A 137 7.436 9.737 -9.097 1.00 4.04 H new ATOM 0 HH12 ARG A 137 7.605 10.583 -7.555 1.00 4.04 H new ATOM 0 HH21 ARG A 137 5.788 8.255 -5.718 1.00 5.21 H new ATOM 0 HH22 ARG A 137 6.700 9.768 -5.699 1.00 5.21 H new ATOM 2268 N CYS A 138 3.035 6.094 -13.448 1.00 0.49 N ATOM 2269 CA CYS A 138 3.467 6.122 -14.858 1.00 0.57 C ATOM 2270 C CYS A 138 4.697 7.028 -15.066 1.00 0.65 C ATOM 2271 O CYS A 138 5.421 6.882 -16.050 1.00 0.73 O ATOM 2272 CB CYS A 138 2.285 6.566 -15.744 1.00 0.68 C ATOM 2273 SG CYS A 138 1.905 5.303 -16.989 1.00 2.86 S ATOM 0 H CYS A 138 2.213 6.671 -13.271 1.00 0.49 H new ATOM 0 HA CYS A 138 3.774 5.117 -15.147 1.00 0.57 H new ATOM 0 HB2 CYS A 138 1.407 6.747 -15.124 1.00 0.68 H new ATOM 0 HB3 CYS A 138 2.527 7.508 -16.237 1.00 0.68 H new ATOM 0 HG CYS A 138 2.120 4.122 -16.489 1.00 2.86 H new ATOM 2279 N SER A 139 4.960 7.948 -14.138 1.00 0.74 N ATOM 2280 CA SER A 139 6.197 8.725 -14.048 1.00 0.91 C ATOM 2281 C SER A 139 7.388 7.794 -13.740 1.00 0.91 C ATOM 2282 O SER A 139 7.635 7.411 -12.596 1.00 1.11 O ATOM 2283 CB SER A 139 6.047 9.870 -13.016 1.00 1.11 C ATOM 2284 OG SER A 139 4.938 9.695 -12.135 1.00 1.85 O ATOM 0 H SER A 139 4.294 8.181 -13.402 1.00 0.74 H new ATOM 0 HA SER A 139 6.400 9.197 -15.009 1.00 0.91 H new ATOM 0 HB2 SER A 139 6.962 9.941 -12.428 1.00 1.11 H new ATOM 0 HB3 SER A 139 5.935 10.815 -13.547 1.00 1.11 H new ATOM 0 HG SER A 139 4.897 10.447 -11.507 1.00 1.85 H new ATOM 2290 N ALA A 140 8.141 7.426 -14.784 1.00 0.83 N ATOM 2291 CA ALA A 140 9.211 6.412 -14.791 1.00 0.82 C ATOM 2292 C ALA A 140 10.527 6.874 -14.123 1.00 0.78 C ATOM 2293 O ALA A 140 11.612 6.368 -14.421 1.00 1.00 O ATOM 2294 CB ALA A 140 9.429 6.030 -16.262 1.00 0.96 C ATOM 0 H ALA A 140 8.015 7.851 -15.702 1.00 0.83 H new ATOM 0 HA ALA A 140 8.902 5.558 -14.188 1.00 0.82 H new ATOM 0 HB1 ALA A 140 10.215 5.278 -16.330 1.00 0.96 H new ATOM 0 HB2 ALA A 140 8.504 5.627 -16.674 1.00 0.96 H new ATOM 0 HB3 ALA A 140 9.723 6.914 -16.828 1.00 0.96 H new ATOM 2300 N ARG A 141 10.429 7.905 -13.284 1.00 0.67 N ATOM 2301 CA ARG A 141 11.517 8.727 -12.766 1.00 0.74 C ATOM 2302 C ARG A 141 12.246 8.054 -11.589 1.00 0.76 C ATOM 2303 O ARG A 141 11.751 7.106 -10.982 1.00 0.81 O ATOM 2304 CB ARG A 141 10.908 10.089 -12.370 1.00 0.81 C ATOM 2305 CG ARG A 141 10.933 11.149 -13.485 1.00 1.07 C ATOM 2306 CD ARG A 141 10.304 10.717 -14.818 1.00 1.40 C ATOM 2307 NE ARG A 141 10.276 11.844 -15.767 1.00 2.27 N ATOM 2308 CZ ARG A 141 9.823 11.824 -17.016 1.00 2.98 C ATOM 2309 NH1 ARG A 141 9.357 10.727 -17.576 1.00 3.51 N ATOM 2310 NH2 ARG A 141 9.836 12.930 -17.729 1.00 3.72 N ATOM 0 H ARG A 141 9.523 8.207 -12.925 1.00 0.67 H new ATOM 0 HA ARG A 141 12.282 8.863 -13.530 1.00 0.74 H new ATOM 0 HB2 ARG A 141 9.875 9.934 -12.057 1.00 0.81 H new ATOM 0 HB3 ARG A 141 11.448 10.476 -11.506 1.00 0.81 H new ATOM 0 HG2 ARG A 141 10.414 12.039 -13.129 1.00 1.07 H new ATOM 0 HG3 ARG A 141 11.969 11.436 -13.667 1.00 1.07 H new ATOM 0 HD2 ARG A 141 10.872 9.890 -15.244 1.00 1.40 H new ATOM 0 HD3 ARG A 141 9.291 10.353 -14.647 1.00 1.40 H new ATOM 0 HE ARG A 141 10.643 12.734 -15.429 1.00 2.27 H new ATOM 0 HH11 ARG A 141 9.336 9.854 -17.048 1.00 3.51 H new ATOM 0 HH12 ARG A 141 9.017 10.750 -18.538 1.00 3.51 H new ATOM 0 HH21 ARG A 141 10.192 13.795 -17.322 1.00 3.72 H new ATOM 0 HH22 ARG A 141 9.490 12.922 -18.688 1.00 3.72 H new ATOM 2324 N GLU A 142 13.431 8.565 -11.257 1.00 0.89 N ATOM 2325 CA GLU A 142 14.259 8.088 -10.140 1.00 0.92 C ATOM 2326 C GLU A 142 13.562 8.296 -8.778 1.00 0.73 C ATOM 2327 O GLU A 142 12.928 9.328 -8.551 1.00 0.71 O ATOM 2328 CB GLU A 142 15.611 8.823 -10.185 1.00 1.22 C ATOM 2329 CG GLU A 142 16.620 8.341 -9.135 1.00 1.82 C ATOM 2330 CD GLU A 142 17.953 9.090 -9.272 1.00 2.61 C ATOM 2331 OE1 GLU A 142 18.072 10.222 -8.743 1.00 3.76 O ATOM 2332 OE2 GLU A 142 18.892 8.555 -9.907 1.00 2.78 O ATOM 0 H GLU A 142 13.855 9.340 -11.766 1.00 0.89 H new ATOM 0 HA GLU A 142 14.415 7.015 -10.247 1.00 0.92 H new ATOM 0 HB2 GLU A 142 16.047 8.699 -11.176 1.00 1.22 H new ATOM 0 HB3 GLU A 142 15.438 9.890 -10.044 1.00 1.22 H new ATOM 0 HG2 GLU A 142 16.213 8.495 -8.136 1.00 1.82 H new ATOM 0 HG3 GLU A 142 16.787 7.270 -9.250 1.00 1.82 H new ATOM 2339 N ILE A 143 13.728 7.348 -7.847 1.00 0.74 N ATOM 2340 CA ILE A 143 13.424 7.547 -6.417 1.00 0.66 C ATOM 2341 C ILE A 143 14.711 7.971 -5.668 1.00 0.76 C ATOM 2342 O ILE A 143 15.680 7.200 -5.676 1.00 0.93 O ATOM 2343 CB ILE A 143 12.782 6.275 -5.808 1.00 0.69 C ATOM 2344 CG1 ILE A 143 11.315 6.087 -6.271 1.00 0.68 C ATOM 2345 CG2 ILE A 143 12.863 6.259 -4.273 1.00 1.02 C ATOM 2346 CD1 ILE A 143 10.285 7.023 -5.612 1.00 1.43 C ATOM 0 H ILE A 143 14.079 6.415 -8.062 1.00 0.74 H new ATOM 0 HA ILE A 143 12.692 8.348 -6.308 1.00 0.66 H new ATOM 0 HB ILE A 143 13.367 5.435 -6.182 1.00 0.69 H new ATOM 0 HG12 ILE A 143 11.272 6.231 -7.351 1.00 0.68 H new ATOM 0 HG13 ILE A 143 11.020 5.056 -6.075 1.00 0.68 H new ATOM 0 HG21 ILE A 143 12.400 5.348 -3.894 1.00 1.02 H new ATOM 0 HG22 ILE A 143 13.908 6.291 -3.963 1.00 1.02 H new ATOM 0 HG23 ILE A 143 12.339 7.127 -3.872 1.00 1.02 H new ATOM 0 HD11 ILE A 143 9.292 6.807 -6.007 1.00 1.43 H new ATOM 0 HD12 ILE A 143 10.288 6.866 -4.533 1.00 1.43 H new ATOM 0 HD13 ILE A 143 10.544 8.059 -5.829 1.00 1.43 H new ATOM 2358 N PRO A 144 14.734 9.155 -5.016 1.00 0.77 N ATOM 2359 CA PRO A 144 15.763 9.561 -4.061 1.00 0.88 C ATOM 2360 C PRO A 144 15.413 8.968 -2.687 1.00 0.87 C ATOM 2361 O PRO A 144 15.326 7.752 -2.534 1.00 1.64 O ATOM 2362 CB PRO A 144 15.773 11.094 -4.160 1.00 1.04 C ATOM 2363 CG PRO A 144 14.302 11.440 -4.394 1.00 1.00 C ATOM 2364 CD PRO A 144 13.793 10.256 -5.218 1.00 0.83 C ATOM 0 HA PRO A 144 16.772 9.196 -4.253 1.00 0.88 H new ATOM 0 HB2 PRO A 144 16.154 11.554 -3.248 1.00 1.04 H new ATOM 0 HB3 PRO A 144 16.403 11.440 -4.979 1.00 1.04 H new ATOM 0 HG2 PRO A 144 13.758 11.541 -3.455 1.00 1.00 H new ATOM 0 HG3 PRO A 144 14.190 12.382 -4.931 1.00 1.00 H new ATOM 0 HD2 PRO A 144 12.790 9.969 -4.901 1.00 0.83 H new ATOM 0 HD3 PRO A 144 13.730 10.520 -6.274 1.00 0.83 H new ATOM 2372 N ILE A 145 15.177 9.810 -1.682 1.00 0.87 N ATOM 2373 CA ILE A 145 14.681 9.426 -0.351 1.00 0.80 C ATOM 2374 C ILE A 145 13.240 8.892 -0.346 1.00 0.84 C ATOM 2375 O ILE A 145 12.840 8.306 0.656 1.00 1.48 O ATOM 2376 CB ILE A 145 14.912 10.638 0.590 1.00 0.77 C ATOM 2377 CG1 ILE A 145 14.633 10.358 2.090 1.00 0.79 C ATOM 2378 CG2 ILE A 145 14.203 11.921 0.103 1.00 0.82 C ATOM 2379 CD1 ILE A 145 13.233 10.715 2.630 1.00 0.88 C ATOM 0 H ILE A 145 15.330 10.815 -1.770 1.00 0.87 H new ATOM 0 HA ILE A 145 15.241 8.565 0.014 1.00 0.80 H new ATOM 0 HB ILE A 145 15.986 10.816 0.528 1.00 0.77 H new ATOM 0 HG12 ILE A 145 14.804 9.297 2.272 1.00 0.79 H new ATOM 0 HG13 ILE A 145 15.370 10.905 2.678 1.00 0.79 H new ATOM 0 HG21 ILE A 145 14.401 12.734 0.802 1.00 0.82 H new ATOM 0 HG22 ILE A 145 14.578 12.191 -0.884 1.00 0.82 H new ATOM 0 HG23 ILE A 145 13.129 11.744 0.047 1.00 0.82 H new ATOM 0 HD11 ILE A 145 13.178 10.467 3.690 1.00 0.88 H new ATOM 0 HD12 ILE A 145 13.053 11.782 2.497 1.00 0.88 H new ATOM 0 HD13 ILE A 145 12.478 10.149 2.085 1.00 0.88 H new ATOM 2391 N LEU A 146 12.523 9.088 -1.466 1.00 0.75 N ATOM 2392 CA LEU A 146 11.106 8.852 -1.831 1.00 0.75 C ATOM 2393 C LEU A 146 10.506 10.220 -2.194 1.00 0.71 C ATOM 2394 O LEU A 146 9.961 10.401 -3.280 1.00 1.03 O ATOM 2395 CB LEU A 146 10.290 8.109 -0.742 1.00 0.91 C ATOM 2396 CG LEU A 146 9.123 7.241 -1.233 1.00 0.95 C ATOM 2397 CD1 LEU A 146 8.390 6.676 -0.014 1.00 1.51 C ATOM 2398 CD2 LEU A 146 8.135 8.011 -2.093 1.00 2.42 C ATOM 0 H LEU A 146 13.005 9.483 -2.274 1.00 0.75 H new ATOM 0 HA LEU A 146 11.059 8.172 -2.681 1.00 0.75 H new ATOM 0 HB2 LEU A 146 10.973 7.474 -0.177 1.00 0.91 H new ATOM 0 HB3 LEU A 146 9.895 8.850 -0.047 1.00 0.91 H new ATOM 0 HG LEU A 146 9.539 6.448 -1.854 1.00 0.95 H new ATOM 0 HD11 LEU A 146 7.557 6.056 -0.345 1.00 1.51 H new ATOM 0 HD12 LEU A 146 9.079 6.072 0.577 1.00 1.51 H new ATOM 0 HD13 LEU A 146 8.012 7.497 0.596 1.00 1.51 H new ATOM 0 HD21 LEU A 146 7.333 7.345 -2.410 1.00 2.42 H new ATOM 0 HD22 LEU A 146 7.716 8.835 -1.516 1.00 2.42 H new ATOM 0 HD23 LEU A 146 8.647 8.406 -2.971 1.00 2.42 H new ATOM 2410 N SER A 147 10.715 11.168 -1.279 1.00 0.58 N ATOM 2411 CA SER A 147 10.342 12.596 -1.175 1.00 0.59 C ATOM 2412 C SER A 147 9.860 12.810 0.268 1.00 0.59 C ATOM 2413 O SER A 147 9.023 12.047 0.744 1.00 0.63 O ATOM 2414 CB SER A 147 9.285 13.082 -2.180 1.00 0.64 C ATOM 2415 OG SER A 147 9.776 13.090 -3.512 1.00 1.14 O ATOM 0 H SER A 147 11.243 10.910 -0.445 1.00 0.58 H new ATOM 0 HA SER A 147 11.219 13.193 -1.427 1.00 0.59 H new ATOM 0 HB2 SER A 147 8.407 12.438 -2.122 1.00 0.64 H new ATOM 0 HB3 SER A 147 8.962 14.087 -1.908 1.00 0.64 H new ATOM 0 HG SER A 147 9.974 12.172 -3.793 1.00 1.14 H new ATOM 2421 N ASP A 148 10.405 13.771 1.019 1.00 0.61 N ATOM 2422 CA ASP A 148 10.251 13.794 2.484 1.00 0.67 C ATOM 2423 C ASP A 148 8.813 14.071 2.968 1.00 0.69 C ATOM 2424 O ASP A 148 8.415 13.594 4.029 1.00 0.77 O ATOM 2425 CB ASP A 148 11.266 14.744 3.130 1.00 0.81 C ATOM 2426 CG ASP A 148 11.333 14.542 4.657 1.00 2.58 C ATOM 2427 OD1 ASP A 148 11.579 13.394 5.104 1.00 4.15 O ATOM 2428 OD2 ASP A 148 11.167 15.540 5.398 1.00 3.28 O ATOM 0 H ASP A 148 10.956 14.543 0.642 1.00 0.61 H new ATOM 0 HA ASP A 148 10.466 12.779 2.820 1.00 0.67 H new ATOM 0 HB2 ASP A 148 12.251 14.576 2.696 1.00 0.81 H new ATOM 0 HB3 ASP A 148 10.992 15.776 2.910 1.00 0.81 H new ATOM 2433 N GLU A 149 8.014 14.811 2.197 1.00 0.68 N ATOM 2434 CA GLU A 149 6.583 14.962 2.477 1.00 0.77 C ATOM 2435 C GLU A 149 5.797 13.683 2.141 1.00 0.75 C ATOM 2436 O GLU A 149 4.839 13.361 2.842 1.00 0.84 O ATOM 2437 CB GLU A 149 5.987 16.208 1.791 1.00 0.92 C ATOM 2438 CG GLU A 149 6.011 16.255 0.254 1.00 1.67 C ATOM 2439 CD GLU A 149 7.356 16.749 -0.299 1.00 3.55 C ATOM 2440 OE1 GLU A 149 8.320 15.951 -0.336 1.00 4.90 O ATOM 2441 OE2 GLU A 149 7.452 17.934 -0.698 1.00 4.53 O ATOM 0 H GLU A 149 8.334 15.317 1.371 1.00 0.68 H new ATOM 0 HA GLU A 149 6.484 15.121 3.551 1.00 0.77 H new ATOM 0 HB2 GLU A 149 4.951 16.306 2.114 1.00 0.92 H new ATOM 0 HB3 GLU A 149 6.520 17.083 2.162 1.00 0.92 H new ATOM 0 HG2 GLU A 149 5.803 15.260 -0.140 1.00 1.67 H new ATOM 0 HG3 GLU A 149 5.214 16.910 -0.099 1.00 1.67 H new ATOM 2448 N LEU A 150 6.215 12.912 1.126 1.00 0.70 N ATOM 2449 CA LEU A 150 5.571 11.650 0.750 1.00 0.64 C ATOM 2450 C LEU A 150 5.992 10.504 1.680 1.00 0.59 C ATOM 2451 O LEU A 150 5.137 9.706 2.035 1.00 0.59 O ATOM 2452 CB LEU A 150 5.843 11.359 -0.742 1.00 0.59 C ATOM 2453 CG LEU A 150 5.248 10.041 -1.293 1.00 0.75 C ATOM 2454 CD1 LEU A 150 3.740 9.855 -1.082 1.00 1.81 C ATOM 2455 CD2 LEU A 150 5.489 9.958 -2.808 1.00 1.57 C ATOM 0 H LEU A 150 7.015 13.151 0.540 1.00 0.70 H new ATOM 0 HA LEU A 150 4.492 11.740 0.876 1.00 0.64 H new ATOM 0 HB2 LEU A 150 5.449 12.187 -1.331 1.00 0.59 H new ATOM 0 HB3 LEU A 150 6.922 11.341 -0.898 1.00 0.59 H new ATOM 0 HG LEU A 150 5.757 9.262 -0.726 1.00 0.75 H new ATOM 0 HD11 LEU A 150 3.428 8.900 -1.505 1.00 1.81 H new ATOM 0 HD12 LEU A 150 3.517 9.869 -0.015 1.00 1.81 H new ATOM 0 HD13 LEU A 150 3.201 10.664 -1.575 1.00 1.81 H new ATOM 0 HD21 LEU A 150 5.069 9.029 -3.193 1.00 1.57 H new ATOM 0 HD22 LEU A 150 5.009 10.804 -3.300 1.00 1.57 H new ATOM 0 HD23 LEU A 150 6.560 9.982 -3.008 1.00 1.57 H new ATOM 2467 N GLN A 151 7.249 10.418 2.127 1.00 0.60 N ATOM 2468 CA GLN A 151 7.690 9.369 3.064 1.00 0.61 C ATOM 2469 C GLN A 151 6.947 9.470 4.410 1.00 0.63 C ATOM 2470 O GLN A 151 6.459 8.466 4.933 1.00 0.63 O ATOM 2471 CB GLN A 151 9.225 9.337 3.197 1.00 0.70 C ATOM 2472 CG GLN A 151 9.855 10.421 4.086 1.00 0.78 C ATOM 2473 CD GLN A 151 10.096 10.047 5.553 1.00 1.49 C ATOM 2474 OE1 GLN A 151 9.683 9.013 6.065 1.00 1.90 O ATOM 2475 NE2 GLN A 151 10.801 10.882 6.287 1.00 2.45 N ATOM 0 H GLN A 151 7.988 11.066 1.855 1.00 0.60 H new ATOM 0 HA GLN A 151 7.415 8.400 2.648 1.00 0.61 H new ATOM 0 HB2 GLN A 151 9.514 8.362 3.590 1.00 0.70 H new ATOM 0 HB3 GLN A 151 9.656 9.419 2.199 1.00 0.70 H new ATOM 0 HG2 GLN A 151 10.809 10.711 3.646 1.00 0.78 H new ATOM 0 HG3 GLN A 151 9.212 11.301 4.059 1.00 0.78 H new ATOM 0 HE21 GLN A 151 11.153 11.748 5.878 1.00 2.45 H new ATOM 0 HE22 GLN A 151 10.995 10.663 7.264 1.00 2.45 H new ATOM 2484 N LEU A 152 6.786 10.696 4.927 1.00 0.66 N ATOM 2485 CA LEU A 152 6.042 10.967 6.154 1.00 0.69 C ATOM 2486 C LEU A 152 4.546 10.761 5.932 1.00 0.65 C ATOM 2487 O LEU A 152 3.912 10.057 6.720 1.00 0.67 O ATOM 2488 CB LEU A 152 6.340 12.395 6.651 1.00 0.72 C ATOM 2489 CG LEU A 152 7.778 12.616 7.168 1.00 0.76 C ATOM 2490 CD1 LEU A 152 7.963 14.098 7.525 1.00 0.84 C ATOM 2491 CD2 LEU A 152 8.090 11.757 8.406 1.00 0.84 C ATOM 0 H LEU A 152 7.176 11.534 4.496 1.00 0.66 H new ATOM 0 HA LEU A 152 6.363 10.264 6.923 1.00 0.69 H new ATOM 0 HB2 LEU A 152 6.151 13.094 5.837 1.00 0.72 H new ATOM 0 HB3 LEU A 152 5.640 12.639 7.450 1.00 0.72 H new ATOM 0 HG LEU A 152 8.464 12.318 6.375 1.00 0.76 H new ATOM 0 HD11 LEU A 152 8.977 14.260 7.891 1.00 0.84 H new ATOM 0 HD12 LEU A 152 7.795 14.710 6.639 1.00 0.84 H new ATOM 0 HD13 LEU A 152 7.249 14.378 8.299 1.00 0.84 H new ATOM 0 HD21 LEU A 152 9.112 11.947 8.733 1.00 0.84 H new ATOM 0 HD22 LEU A 152 7.399 12.012 9.209 1.00 0.84 H new ATOM 0 HD23 LEU A 152 7.980 10.702 8.154 1.00 0.84 H new ATOM 2503 N LYS A 153 3.963 11.322 4.862 1.00 0.61 N ATOM 2504 CA LYS A 153 2.548 11.071 4.576 1.00 0.62 C ATOM 2505 C LYS A 153 2.228 9.596 4.283 1.00 0.48 C ATOM 2506 O LYS A 153 1.136 9.158 4.614 1.00 0.40 O ATOM 2507 CB LYS A 153 1.899 12.052 3.580 1.00 0.83 C ATOM 2508 CG LYS A 153 0.481 12.366 4.097 1.00 1.76 C ATOM 2509 CD LYS A 153 -0.556 12.696 3.024 1.00 2.29 C ATOM 2510 CE LYS A 153 -1.905 12.885 3.736 1.00 4.11 C ATOM 2511 NZ LYS A 153 -3.028 12.994 2.775 1.00 5.46 N ATOM 0 H LYS A 153 4.436 11.936 4.199 1.00 0.61 H new ATOM 0 HA LYS A 153 2.052 11.294 5.521 1.00 0.62 H new ATOM 0 HB2 LYS A 153 2.489 12.965 3.501 1.00 0.83 H new ATOM 0 HB3 LYS A 153 1.855 11.613 2.583 1.00 0.83 H new ATOM 0 HG2 LYS A 153 0.125 11.510 4.670 1.00 1.76 H new ATOM 0 HG3 LYS A 153 0.544 13.207 4.787 1.00 1.76 H new ATOM 0 HD2 LYS A 153 -0.276 13.601 2.484 1.00 2.29 H new ATOM 0 HD3 LYS A 153 -0.618 11.893 2.290 1.00 2.29 H new ATOM 0 HE2 LYS A 153 -2.082 12.044 4.407 1.00 4.11 H new ATOM 0 HE3 LYS A 153 -1.867 13.783 4.353 1.00 4.11 H new ATOM 0 HZ1 LYS A 153 -3.914 12.716 3.243 1.00 5.46 H new ATOM 0 HZ2 LYS A 153 -3.106 13.976 2.442 1.00 5.46 H new ATOM 0 HZ3 LYS A 153 -2.853 12.366 1.964 1.00 5.46 H new ATOM 2525 N MET A 154 3.137 8.802 3.711 1.00 0.48 N ATOM 2526 CA MET A 154 2.994 7.337 3.599 1.00 0.45 C ATOM 2527 C MET A 154 2.974 6.654 4.969 1.00 0.47 C ATOM 2528 O MET A 154 2.138 5.781 5.197 1.00 0.47 O ATOM 2529 CB MET A 154 4.077 6.741 2.691 1.00 0.48 C ATOM 2530 CG MET A 154 3.701 6.979 1.224 1.00 1.27 C ATOM 2531 SD MET A 154 4.912 6.372 0.035 1.00 2.06 S ATOM 2532 CE MET A 154 4.481 4.621 0.091 1.00 0.89 C ATOM 0 H MET A 154 4.004 9.156 3.307 1.00 0.48 H new ATOM 0 HA MET A 154 2.027 7.144 3.135 1.00 0.45 H new ATOM 0 HB2 MET A 154 5.042 7.199 2.909 1.00 0.48 H new ATOM 0 HB3 MET A 154 4.180 5.673 2.883 1.00 0.48 H new ATOM 0 HG2 MET A 154 2.743 6.499 1.025 1.00 1.27 H new ATOM 0 HG3 MET A 154 3.560 8.048 1.067 1.00 1.27 H new ATOM 0 HE1 MET A 154 5.184 4.054 -0.519 1.00 0.89 H new ATOM 0 HE2 MET A 154 4.526 4.268 1.121 1.00 0.89 H new ATOM 0 HE3 MET A 154 3.471 4.482 -0.296 1.00 0.89 H new ATOM 2542 N GLN A 155 3.835 7.068 5.903 1.00 0.51 N ATOM 2543 CA GLN A 155 3.803 6.565 7.283 1.00 0.56 C ATOM 2544 C GLN A 155 2.467 6.903 7.988 1.00 0.52 C ATOM 2545 O GLN A 155 1.916 6.077 8.715 1.00 0.56 O ATOM 2546 CB GLN A 155 5.016 7.121 8.051 1.00 0.67 C ATOM 2547 CG GLN A 155 5.354 6.271 9.286 1.00 1.09 C ATOM 2548 CD GLN A 155 6.385 6.941 10.200 1.00 1.50 C ATOM 2549 OE1 GLN A 155 6.150 7.172 11.381 1.00 2.08 O ATOM 2550 NE2 GLN A 155 7.559 7.291 9.709 1.00 2.54 N ATOM 0 H GLN A 155 4.568 7.755 5.728 1.00 0.51 H new ATOM 0 HA GLN A 155 3.866 5.477 7.265 1.00 0.56 H new ATOM 0 HB2 GLN A 155 5.880 7.156 7.388 1.00 0.67 H new ATOM 0 HB3 GLN A 155 4.810 8.145 8.361 1.00 0.67 H new ATOM 0 HG2 GLN A 155 4.442 6.081 9.852 1.00 1.09 H new ATOM 0 HG3 GLN A 155 5.736 5.303 8.962 1.00 1.09 H new ATOM 0 HE21 GLN A 155 7.777 7.109 8.729 1.00 2.54 H new ATOM 0 HE22 GLN A 155 8.248 7.744 10.309 1.00 2.54 H new ATOM 2559 N LEU A 156 1.902 8.085 7.718 1.00 0.49 N ATOM 2560 CA LEU A 156 0.548 8.485 8.124 1.00 0.50 C ATOM 2561 C LEU A 156 -0.522 7.611 7.436 1.00 0.45 C ATOM 2562 O LEU A 156 -1.355 7.003 8.111 1.00 0.51 O ATOM 2563 CB LEU A 156 0.440 10.001 7.837 1.00 0.54 C ATOM 2564 CG LEU A 156 -0.892 10.744 8.057 1.00 0.69 C ATOM 2565 CD1 LEU A 156 -1.922 10.501 6.947 1.00 1.39 C ATOM 2566 CD2 LEU A 156 -1.509 10.436 9.419 1.00 1.62 C ATOM 0 H LEU A 156 2.389 8.813 7.195 1.00 0.49 H new ATOM 0 HA LEU A 156 0.363 8.319 9.185 1.00 0.50 H new ATOM 0 HB2 LEU A 156 1.192 10.499 8.449 1.00 0.54 H new ATOM 0 HB3 LEU A 156 0.725 10.153 6.796 1.00 0.54 H new ATOM 0 HG LEU A 156 -0.627 11.801 8.025 1.00 0.69 H new ATOM 0 HD11 LEU A 156 -2.834 11.055 7.169 1.00 1.39 H new ATOM 0 HD12 LEU A 156 -1.516 10.838 5.993 1.00 1.39 H new ATOM 0 HD13 LEU A 156 -2.150 9.437 6.888 1.00 1.39 H new ATOM 0 HD21 LEU A 156 -2.446 10.983 9.526 1.00 1.62 H new ATOM 0 HD22 LEU A 156 -1.703 9.366 9.497 1.00 1.62 H new ATOM 0 HD23 LEU A 156 -0.820 10.739 10.207 1.00 1.62 H new ATOM 2578 N LEU A 157 -0.464 7.483 6.107 1.00 0.42 N ATOM 2579 CA LEU A 157 -1.384 6.689 5.287 1.00 0.48 C ATOM 2580 C LEU A 157 -1.418 5.234 5.742 1.00 0.45 C ATOM 2581 O LEU A 157 -2.507 4.727 5.980 1.00 0.50 O ATOM 2582 CB LEU A 157 -1.012 6.795 3.787 1.00 0.60 C ATOM 2583 CG LEU A 157 -1.941 7.652 2.907 1.00 0.86 C ATOM 2584 CD1 LEU A 157 -3.284 6.948 2.704 1.00 2.54 C ATOM 2585 CD2 LEU A 157 -2.187 9.069 3.445 1.00 1.60 C ATOM 0 H LEU A 157 0.254 7.948 5.551 1.00 0.42 H new ATOM 0 HA LEU A 157 -2.386 7.097 5.418 1.00 0.48 H new ATOM 0 HB2 LEU A 157 -0.003 7.201 3.714 1.00 0.60 H new ATOM 0 HB3 LEU A 157 -0.982 5.788 3.371 1.00 0.60 H new ATOM 0 HG LEU A 157 -1.418 7.765 1.958 1.00 0.86 H new ATOM 0 HD11 LEU A 157 -3.929 7.567 2.080 1.00 2.54 H new ATOM 0 HD12 LEU A 157 -3.121 5.987 2.216 1.00 2.54 H new ATOM 0 HD13 LEU A 157 -3.761 6.788 3.671 1.00 2.54 H new ATOM 0 HD21 LEU A 157 -2.851 9.605 2.767 1.00 1.60 H new ATOM 0 HD22 LEU A 157 -2.647 9.009 4.431 1.00 1.60 H new ATOM 0 HD23 LEU A 157 -1.238 9.600 3.519 1.00 1.60 H new ATOM 2597 N VAL A 158 -0.270 4.580 5.926 1.00 0.43 N ATOM 2598 CA VAL A 158 -0.232 3.178 6.374 1.00 0.45 C ATOM 2599 C VAL A 158 -0.864 3.014 7.751 1.00 0.49 C ATOM 2600 O VAL A 158 -1.651 2.092 7.939 1.00 0.53 O ATOM 2601 CB VAL A 158 1.173 2.541 6.297 1.00 0.54 C ATOM 2602 CG1 VAL A 158 2.128 2.848 7.457 1.00 0.69 C ATOM 2603 CG2 VAL A 158 1.048 1.015 6.143 1.00 0.55 C ATOM 0 H VAL A 158 0.649 4.995 5.773 1.00 0.43 H new ATOM 0 HA VAL A 158 -0.839 2.618 5.663 1.00 0.45 H new ATOM 0 HB VAL A 158 1.628 3.009 5.424 1.00 0.54 H new ATOM 0 HG11 VAL A 158 3.080 2.345 7.288 1.00 0.69 H new ATOM 0 HG12 VAL A 158 2.292 3.924 7.518 1.00 0.69 H new ATOM 0 HG13 VAL A 158 1.692 2.494 8.391 1.00 0.69 H new ATOM 0 HG21 VAL A 158 2.042 0.572 6.089 1.00 0.55 H new ATOM 0 HG22 VAL A 158 0.514 0.605 7.000 1.00 0.55 H new ATOM 0 HG23 VAL A 158 0.499 0.785 5.230 1.00 0.55 H new ATOM 2613 N ARG A 159 -0.586 3.934 8.688 1.00 0.53 N ATOM 2614 CA ARG A 159 -1.190 3.895 10.021 1.00 0.67 C ATOM 2615 C ARG A 159 -2.708 3.929 9.928 1.00 0.72 C ATOM 2616 O ARG A 159 -3.384 3.067 10.488 1.00 0.79 O ATOM 2617 CB ARG A 159 -0.665 5.056 10.894 1.00 0.83 C ATOM 2618 CG ARG A 159 -1.199 4.972 12.337 1.00 1.02 C ATOM 2619 CD ARG A 159 -0.918 6.227 13.179 1.00 1.01 C ATOM 2620 NE ARG A 159 -1.214 5.959 14.600 1.00 2.14 N ATOM 2621 CZ ARG A 159 -0.405 5.385 15.488 1.00 2.48 C ATOM 2622 NH1 ARG A 159 0.842 5.071 15.202 1.00 3.13 N ATOM 2623 NH2 ARG A 159 -0.853 5.108 16.693 1.00 3.82 N ATOM 0 H ARG A 159 0.055 4.714 8.543 1.00 0.53 H new ATOM 0 HA ARG A 159 -0.903 2.957 10.497 1.00 0.67 H new ATOM 0 HB2 ARG A 159 0.425 5.037 10.908 1.00 0.83 H new ATOM 0 HB3 ARG A 159 -0.961 6.007 10.451 1.00 0.83 H new ATOM 0 HG2 ARG A 159 -2.275 4.800 12.306 1.00 1.02 H new ATOM 0 HG3 ARG A 159 -0.752 4.108 12.830 1.00 1.02 H new ATOM 0 HD2 ARG A 159 0.124 6.525 13.066 1.00 1.01 H new ATOM 0 HD3 ARG A 159 -1.527 7.058 12.823 1.00 1.01 H new ATOM 0 HE ARG A 159 -2.134 6.243 14.937 1.00 2.14 H new ATOM 0 HH11 ARG A 159 1.217 5.267 14.274 1.00 3.13 H new ATOM 0 HH12 ARG A 159 1.432 4.632 15.909 1.00 3.13 H new ATOM 0 HH21 ARG A 159 -1.816 5.333 16.943 1.00 3.82 H new ATOM 0 HH22 ARG A 159 -0.238 4.668 17.377 1.00 3.82 H new ATOM 2637 N GLU A 160 -3.240 4.910 9.213 1.00 0.74 N ATOM 2638 CA GLU A 160 -4.673 5.180 9.231 1.00 0.88 C ATOM 2639 C GLU A 160 -5.470 4.301 8.272 1.00 0.93 C ATOM 2640 O GLU A 160 -6.598 3.932 8.577 1.00 1.14 O ATOM 2641 CB GLU A 160 -4.916 6.655 8.974 1.00 0.88 C ATOM 2642 CG GLU A 160 -4.222 7.501 10.042 1.00 1.12 C ATOM 2643 CD GLU A 160 -4.738 8.926 9.952 1.00 2.07 C ATOM 2644 OE1 GLU A 160 -4.375 9.641 8.997 1.00 3.27 O ATOM 2645 OE2 GLU A 160 -5.536 9.302 10.829 1.00 2.80 O ATOM 0 H GLU A 160 -2.701 5.534 8.612 1.00 0.74 H new ATOM 0 HA GLU A 160 -5.041 4.921 10.224 1.00 0.88 H new ATOM 0 HB2 GLU A 160 -4.542 6.925 7.986 1.00 0.88 H new ATOM 0 HB3 GLU A 160 -5.987 6.860 8.977 1.00 0.88 H new ATOM 0 HG2 GLU A 160 -4.417 7.091 11.033 1.00 1.12 H new ATOM 0 HG3 GLU A 160 -3.142 7.481 9.896 1.00 1.12 H new ATOM 2652 N SER A 161 -4.878 3.900 7.150 1.00 0.80 N ATOM 2653 CA SER A 161 -5.464 2.902 6.258 1.00 0.86 C ATOM 2654 C SER A 161 -5.566 1.547 6.962 1.00 0.86 C ATOM 2655 O SER A 161 -6.620 0.915 6.892 1.00 1.07 O ATOM 2656 CB SER A 161 -4.620 2.783 4.981 1.00 0.80 C ATOM 2657 OG SER A 161 -5.076 1.744 4.136 1.00 1.21 O ATOM 0 H SER A 161 -3.977 4.258 6.833 1.00 0.80 H new ATOM 0 HA SER A 161 -6.470 3.221 5.986 1.00 0.86 H new ATOM 0 HB2 SER A 161 -4.648 3.729 4.439 1.00 0.80 H new ATOM 0 HB3 SER A 161 -3.580 2.600 5.250 1.00 0.80 H new ATOM 0 HG SER A 161 -4.746 1.894 3.225 1.00 1.21 H new ATOM 2663 N LEU A 162 -4.531 1.124 7.707 1.00 0.71 N ATOM 2664 CA LEU A 162 -4.632 -0.087 8.522 1.00 0.76 C ATOM 2665 C LEU A 162 -5.680 0.107 9.613 1.00 0.89 C ATOM 2666 O LEU A 162 -6.594 -0.701 9.719 1.00 1.02 O ATOM 2667 CB LEU A 162 -3.275 -0.484 9.134 1.00 0.86 C ATOM 2668 CG LEU A 162 -2.180 -1.060 8.199 1.00 1.61 C ATOM 2669 CD1 LEU A 162 -1.631 -2.353 8.813 1.00 1.48 C ATOM 2670 CD2 LEU A 162 -2.581 -1.323 6.738 1.00 3.62 C ATOM 0 H LEU A 162 -3.629 1.598 7.759 1.00 0.71 H new ATOM 0 HA LEU A 162 -4.940 -0.905 7.870 1.00 0.76 H new ATOM 0 HB2 LEU A 162 -2.862 0.398 9.624 1.00 0.86 H new ATOM 0 HB3 LEU A 162 -3.466 -1.221 9.914 1.00 0.86 H new ATOM 0 HG LEU A 162 -1.432 -0.270 8.134 1.00 1.61 H new ATOM 0 HD11 LEU A 162 -0.860 -2.766 8.163 1.00 1.48 H new ATOM 0 HD12 LEU A 162 -1.203 -2.138 9.792 1.00 1.48 H new ATOM 0 HD13 LEU A 162 -2.439 -3.076 8.922 1.00 1.48 H new ATOM 0 HD21 LEU A 162 -1.727 -1.724 6.193 1.00 3.62 H new ATOM 0 HD22 LEU A 162 -3.400 -2.042 6.709 1.00 3.62 H new ATOM 0 HD23 LEU A 162 -2.901 -0.390 6.275 1.00 3.62 H new ATOM 2682 N MET A 163 -5.580 1.180 10.402 1.00 0.92 N ATOM 2683 CA MET A 163 -6.445 1.427 11.557 1.00 1.08 C ATOM 2684 C MET A 163 -7.917 1.480 11.179 1.00 1.07 C ATOM 2685 O MET A 163 -8.726 0.782 11.791 1.00 1.11 O ATOM 2686 CB MET A 163 -5.999 2.722 12.262 1.00 1.40 C ATOM 2687 CG MET A 163 -7.031 3.285 13.253 1.00 1.52 C ATOM 2688 SD MET A 163 -8.176 4.544 12.616 1.00 3.46 S ATOM 2689 CE MET A 163 -7.054 5.964 12.547 1.00 1.73 C ATOM 0 H MET A 163 -4.885 1.912 10.254 1.00 0.92 H new ATOM 0 HA MET A 163 -6.341 0.588 12.245 1.00 1.08 H new ATOM 0 HB2 MET A 163 -5.067 2.531 12.794 1.00 1.40 H new ATOM 0 HB3 MET A 163 -5.786 3.479 11.507 1.00 1.40 H new ATOM 0 HG2 MET A 163 -7.621 2.453 13.638 1.00 1.52 H new ATOM 0 HG3 MET A 163 -6.492 3.713 14.099 1.00 1.52 H new ATOM 0 HE1 MET A 163 -7.328 6.604 11.708 1.00 1.73 H new ATOM 0 HE2 MET A 163 -7.127 6.531 13.475 1.00 1.73 H new ATOM 0 HE3 MET A 163 -6.030 5.613 12.416 1.00 1.73 H new ATOM 2699 N ALA A 164 -8.276 2.296 10.193 1.00 1.05 N ATOM 2700 CA ALA A 164 -9.670 2.541 9.863 1.00 1.05 C ATOM 2701 C ALA A 164 -10.316 1.296 9.239 1.00 1.03 C ATOM 2702 O ALA A 164 -11.451 0.952 9.571 1.00 1.09 O ATOM 2703 CB ALA A 164 -9.770 3.794 8.989 1.00 1.05 C ATOM 0 H ALA A 164 -7.612 2.801 9.606 1.00 1.05 H new ATOM 0 HA ALA A 164 -10.242 2.736 10.770 1.00 1.05 H new ATOM 0 HB1 ALA A 164 -10.814 3.981 8.739 1.00 1.05 H new ATOM 0 HB2 ALA A 164 -9.368 4.649 9.532 1.00 1.05 H new ATOM 0 HB3 ALA A 164 -9.199 3.645 8.073 1.00 1.05 H new ATOM 2709 N LEU A 165 -9.580 0.610 8.353 1.00 0.98 N ATOM 2710 CA LEU A 165 -10.047 -0.609 7.679 1.00 1.02 C ATOM 2711 C LEU A 165 -10.148 -1.741 8.709 1.00 1.05 C ATOM 2712 O LEU A 165 -11.157 -2.440 8.747 1.00 1.08 O ATOM 2713 CB LEU A 165 -9.078 -0.938 6.518 1.00 0.97 C ATOM 2714 CG LEU A 165 -9.565 -1.804 5.335 1.00 1.02 C ATOM 2715 CD1 LEU A 165 -10.318 -3.080 5.728 1.00 1.52 C ATOM 2716 CD2 LEU A 165 -10.406 -0.980 4.349 1.00 2.14 C ATOM 0 H LEU A 165 -8.637 0.888 8.082 1.00 0.98 H new ATOM 0 HA LEU A 165 -11.039 -0.472 7.249 1.00 1.02 H new ATOM 0 HB2 LEU A 165 -8.730 0.009 6.106 1.00 0.97 H new ATOM 0 HB3 LEU A 165 -8.210 -1.436 6.950 1.00 0.97 H new ATOM 0 HG LEU A 165 -8.647 -2.140 4.853 1.00 1.02 H new ATOM 0 HD11 LEU A 165 -10.618 -3.617 4.828 1.00 1.52 H new ATOM 0 HD12 LEU A 165 -9.668 -3.715 6.331 1.00 1.52 H new ATOM 0 HD13 LEU A 165 -11.204 -2.816 6.305 1.00 1.52 H new ATOM 0 HD21 LEU A 165 -10.733 -1.618 3.528 1.00 2.14 H new ATOM 0 HD22 LEU A 165 -11.277 -0.575 4.864 1.00 2.14 H new ATOM 0 HD23 LEU A 165 -9.805 -0.161 3.954 1.00 2.14 H new ATOM 2728 N MET A 166 -9.168 -1.866 9.615 1.00 1.04 N ATOM 2729 CA MET A 166 -9.228 -2.829 10.724 1.00 1.10 C ATOM 2730 C MET A 166 -10.400 -2.545 11.658 1.00 1.09 C ATOM 2731 O MET A 166 -11.089 -3.490 12.025 1.00 1.07 O ATOM 2732 CB MET A 166 -7.914 -2.918 11.514 1.00 1.12 C ATOM 2733 CG MET A 166 -6.834 -3.730 10.780 1.00 2.16 C ATOM 2734 SD MET A 166 -7.279 -5.410 10.234 1.00 3.05 S ATOM 2735 CE MET A 166 -8.024 -6.090 11.742 1.00 1.78 C ATOM 0 H MET A 166 -8.316 -1.306 9.600 1.00 1.04 H new ATOM 0 HA MET A 166 -9.387 -3.803 10.261 1.00 1.10 H new ATOM 0 HB2 MET A 166 -7.540 -1.912 11.704 1.00 1.12 H new ATOM 0 HB3 MET A 166 -8.109 -3.374 12.485 1.00 1.12 H new ATOM 0 HG2 MET A 166 -6.522 -3.162 9.904 1.00 2.16 H new ATOM 0 HG3 MET A 166 -5.966 -3.807 11.435 1.00 2.16 H new ATOM 0 HE1 MET A 166 -8.264 -7.142 11.587 1.00 1.78 H new ATOM 0 HE2 MET A 166 -7.321 -5.996 12.569 1.00 1.78 H new ATOM 0 HE3 MET A 166 -8.936 -5.541 11.977 1.00 1.78 H new ATOM 2745 N ARG A 167 -10.686 -1.285 12.005 1.00 1.12 N ATOM 2746 CA ARG A 167 -11.866 -0.935 12.815 1.00 1.15 C ATOM 2747 C ARG A 167 -13.208 -1.269 12.143 1.00 1.13 C ATOM 2748 O ARG A 167 -14.219 -1.426 12.828 1.00 1.17 O ATOM 2749 CB ARG A 167 -11.830 0.550 13.234 1.00 1.24 C ATOM 2750 CG ARG A 167 -11.223 0.740 14.632 1.00 1.30 C ATOM 2751 CD ARG A 167 -12.015 -0.018 15.719 1.00 1.63 C ATOM 2752 NE ARG A 167 -12.638 0.870 16.714 1.00 2.38 N ATOM 2753 CZ ARG A 167 -13.688 0.558 17.468 1.00 3.32 C ATOM 2754 NH1 ARG A 167 -14.294 -0.611 17.378 1.00 3.88 N ATOM 2755 NH2 ARG A 167 -14.150 1.429 18.339 1.00 4.38 N ATOM 0 H ARG A 167 -10.114 -0.484 11.737 1.00 1.12 H new ATOM 0 HA ARG A 167 -11.806 -1.565 13.703 1.00 1.15 H new ATOM 0 HB2 ARG A 167 -11.250 1.118 12.507 1.00 1.24 H new ATOM 0 HB3 ARG A 167 -12.842 0.955 13.220 1.00 1.24 H new ATOM 0 HG2 ARG A 167 -10.190 0.392 14.628 1.00 1.30 H new ATOM 0 HG3 ARG A 167 -11.201 1.802 14.875 1.00 1.30 H new ATOM 0 HD2 ARG A 167 -12.790 -0.617 15.242 1.00 1.63 H new ATOM 0 HD3 ARG A 167 -11.346 -0.711 16.229 1.00 1.63 H new ATOM 0 HE ARG A 167 -12.232 1.798 16.835 1.00 2.38 H new ATOM 0 HH11 ARG A 167 -13.959 -1.309 16.714 1.00 3.88 H new ATOM 0 HH12 ARG A 167 -15.097 -0.816 17.972 1.00 3.88 H new ATOM 0 HH21 ARG A 167 -13.703 2.341 18.435 1.00 4.38 H new ATOM 0 HH22 ARG A 167 -14.955 1.192 18.919 1.00 4.38 H new ATOM 2769 N LEU A 168 -13.219 -1.395 10.816 1.00 1.10 N ATOM 2770 CA LEU A 168 -14.365 -1.843 10.019 1.00 1.10 C ATOM 2771 C LEU A 168 -14.378 -3.362 9.741 1.00 1.11 C ATOM 2772 O LEU A 168 -15.408 -3.889 9.320 1.00 1.35 O ATOM 2773 CB LEU A 168 -14.407 -0.967 8.754 1.00 1.13 C ATOM 2774 CG LEU A 168 -15.414 0.187 8.954 1.00 0.97 C ATOM 2775 CD1 LEU A 168 -14.981 1.447 8.205 1.00 2.03 C ATOM 2776 CD2 LEU A 168 -16.801 -0.287 8.502 1.00 1.57 C ATOM 0 H LEU A 168 -12.402 -1.181 10.244 1.00 1.10 H new ATOM 0 HA LEU A 168 -15.287 -1.708 10.585 1.00 1.10 H new ATOM 0 HB2 LEU A 168 -13.416 -0.565 8.545 1.00 1.13 H new ATOM 0 HB3 LEU A 168 -14.695 -1.569 7.892 1.00 1.13 H new ATOM 0 HG LEU A 168 -15.450 0.455 10.010 1.00 0.97 H new ATOM 0 HD11 LEU A 168 -15.713 2.237 8.369 1.00 2.03 H new ATOM 0 HD12 LEU A 168 -14.008 1.772 8.572 1.00 2.03 H new ATOM 0 HD13 LEU A 168 -14.913 1.231 7.139 1.00 2.03 H new ATOM 0 HD21 LEU A 168 -17.523 0.518 8.638 1.00 1.57 H new ATOM 0 HD22 LEU A 168 -16.764 -0.568 7.449 1.00 1.57 H new ATOM 0 HD23 LEU A 168 -17.103 -1.149 9.097 1.00 1.57 H new ATOM 2788 N ASN A 169 -13.285 -4.073 10.034 1.00 0.96 N ATOM 2789 CA ASN A 169 -13.198 -5.541 10.023 1.00 0.96 C ATOM 2790 C ASN A 169 -13.487 -6.147 11.415 1.00 1.11 C ATOM 2791 O ASN A 169 -14.238 -7.114 11.535 1.00 1.22 O ATOM 2792 CB ASN A 169 -11.790 -5.951 9.536 1.00 1.04 C ATOM 2793 CG ASN A 169 -11.854 -6.926 8.366 1.00 1.26 C ATOM 2794 OD1 ASN A 169 -12.213 -6.557 7.252 1.00 1.78 O ATOM 2795 ND2 ASN A 169 -11.523 -8.187 8.568 1.00 1.67 N ATOM 0 H ASN A 169 -12.404 -3.629 10.295 1.00 0.96 H new ATOM 0 HA ASN A 169 -13.958 -5.930 9.345 1.00 0.96 H new ATOM 0 HB2 ASN A 169 -11.236 -5.061 9.237 1.00 1.04 H new ATOM 0 HB3 ASN A 169 -11.240 -6.407 10.359 1.00 1.04 H new ATOM 0 HD21 ASN A 169 -11.565 -8.855 7.798 1.00 1.67 H new ATOM 0 HD22 ASN A 169 -11.225 -8.494 9.494 1.00 1.67 H new