USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 77:sc= 1.61 USER MOD Set 1.2: B 27 SER OG : rot 9:sc= 0.507 USER MOD Set 2.1: A 75 LYS NZ :NH3+ 176:sc= 0.0789 (180deg=0) USER MOD Set 2.2: A 89 TYR OH : rot 130:sc= 0.0831 USER MOD Set 3.1: A 74 CYS SG : rot -48:sc= 0.0381 USER MOD Set 3.2: A 78 THR OG1 : rot -32:sc= 2.03 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.738) USER MOD Single : A 63 ASN : amide:sc= -2.73 K(o=-2.7,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -133:sc= -0.239 (180deg=-2.54!) USER MOD Single : A 77 GLN : amide:sc= -2.31! C(o=-2.3!,f=-3.6!) USER MOD Single : A 81 HIS : no HE2:sc= 0.0399 K(o=0.04,f=-6.7!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 93 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.013) USER MOD Single : A 96 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 97 SER OG : rot -28:sc= 0.435 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 154:sc= 1.24 USER MOD Single : A 107 ASN : amide:sc= 0.939 K(o=0.94,f=-0.049) USER MOD Single : A 110 SER OG : rot -77:sc= 0.672 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 152:sc= 0.789 (180deg=0.0848) USER MOD Single : A 124 TYR OH : rot 152:sc= -0.334 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 131 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 135 LYS NZ :NH3+ 166:sc= -0.0134 (180deg=-0.173) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 79:sc= -1.62 USER MOD Single : B 29 SER OG : rot 180:sc= 0.0072 USER MOD Single : B 33 GLN : amide:sc= 0.791 K(o=0.79,f=-0.037) USER MOD Single : B 34 TYR OH : rot -11:sc= 0.896 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.843 5.941 -1.553 1.00 0.57 N ATOM 118 CA TYR A 59 -13.475 6.025 -1.100 1.00 0.44 C ATOM 119 C TYR A 59 -12.507 5.604 -2.183 1.00 0.41 C ATOM 120 O TYR A 59 -11.305 5.757 -2.020 1.00 0.42 O ATOM 121 CB TYR A 59 -13.308 5.133 0.118 1.00 0.66 C ATOM 122 CG TYR A 59 -14.433 5.304 1.093 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.543 6.433 1.886 1.00 1.06 C ATOM 124 CD2 TYR A 59 -15.376 4.320 1.216 1.00 1.04 C ATOM 125 CE1 TYR A 59 -15.580 6.572 2.784 1.00 1.30 C ATOM 126 CE2 TYR A 59 -16.421 4.440 2.107 1.00 1.27 C ATOM 127 CZ TYR A 59 -16.503 5.666 2.894 1.00 1.34 C ATOM 128 OH TYR A 59 -17.563 5.701 3.779 1.00 1.64 O ATOM 0 HA TYR A 59 -13.253 7.061 -0.844 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -13.257 4.091 -0.199 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.363 5.363 0.610 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -13.805 7.217 1.800 1.00 1.06 H new ATOM 0 HD2 TYR A 59 -15.300 3.433 0.604 1.00 1.04 H new ATOM 0 HE1 TYR A 59 -15.625 7.452 3.408 1.00 1.30 H new ATOM 0 HE2 TYR A 59 -17.153 3.654 2.219 1.00 1.27 H new ATOM 0 HH TYR A 59 -18.115 4.900 3.660 1.00 1.64 H new ATOM 138 N LYS A 60 -13.040 5.082 -3.287 1.00 0.42 N ATOM 139 CA LYS A 60 -12.206 4.589 -4.374 1.00 0.43 C ATOM 140 C LYS A 60 -11.213 5.664 -4.807 1.00 0.40 C ATOM 141 O LYS A 60 -10.011 5.505 -4.623 1.00 0.41 O ATOM 142 CB LYS A 60 -13.065 4.152 -5.562 1.00 0.52 C ATOM 143 CG LYS A 60 -12.299 3.343 -6.599 1.00 1.16 C ATOM 144 CD LYS A 60 -13.207 2.878 -7.728 1.00 1.35 C ATOM 145 CE LYS A 60 -13.574 4.013 -8.669 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.420 4.433 -9.510 1.00 2.29 N ATOM 0 H LYS A 60 -14.043 4.991 -3.449 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.652 3.722 -4.015 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.903 3.558 -5.196 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.486 5.036 -6.041 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.489 3.948 -7.008 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.840 2.478 -6.120 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -12.710 2.087 -8.290 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.116 2.447 -7.308 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.397 3.700 -9.312 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.929 4.865 -8.089 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.768 4.808 -10.415 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -11.880 5.171 -9.015 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.804 3.614 -9.689 1.00 2.29 H new ATOM 160 N LEU A 61 -11.731 6.780 -5.320 1.00 0.45 N ATOM 161 CA LEU A 61 -10.892 7.904 -5.751 1.00 0.49 C ATOM 162 C LEU A 61 -9.986 8.368 -4.630 1.00 0.38 C ATOM 163 O LEU A 61 -8.840 8.737 -4.866 1.00 0.41 O ATOM 164 CB LEU A 61 -11.745 9.085 -6.218 1.00 0.62 C ATOM 165 CG LEU A 61 -12.828 9.549 -5.243 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.009 11.052 -5.343 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.146 8.851 -5.539 1.00 0.81 C ATOM 0 H LEU A 61 -12.731 6.932 -5.449 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.285 7.547 -6.583 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.084 9.927 -6.425 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.222 8.815 -7.160 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.515 9.292 -4.231 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.782 11.373 -4.645 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.070 11.549 -5.098 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.305 11.316 -6.358 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.905 9.193 -4.836 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.461 9.085 -6.556 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.018 7.773 -5.438 1.00 0.81 H new ATOM 179 N GLU A 62 -10.510 8.335 -3.413 1.00 0.33 N ATOM 180 CA GLU A 62 -9.758 8.731 -2.241 1.00 0.30 C ATOM 181 C GLU A 62 -8.437 7.997 -2.153 1.00 0.26 C ATOM 182 O GLU A 62 -7.400 8.629 -2.028 1.00 0.32 O ATOM 183 CB GLU A 62 -10.604 8.523 -0.981 1.00 0.41 C ATOM 184 CG GLU A 62 -11.458 9.726 -0.683 1.00 0.50 C ATOM 185 CD GLU A 62 -12.190 9.631 0.638 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.519 9.503 1.686 1.00 1.51 O ATOM 187 OE2 GLU A 62 -13.438 9.645 0.629 1.00 2.00 O ATOM 0 H GLU A 62 -11.464 8.034 -3.215 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.522 9.792 -2.325 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.240 7.647 -1.109 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.951 8.321 -0.132 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.829 10.616 -0.678 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -12.185 9.854 -1.485 1.00 0.50 H new ATOM 194 N ASN A 63 -8.457 6.683 -2.275 1.00 0.24 N ATOM 195 CA ASN A 63 -7.215 5.922 -2.199 1.00 0.23 C ATOM 196 C ASN A 63 -6.481 5.916 -3.534 1.00 0.21 C ATOM 197 O ASN A 63 -5.300 5.587 -3.590 1.00 0.22 O ATOM 198 CB ASN A 63 -7.441 4.488 -1.719 1.00 0.33 C ATOM 199 CG ASN A 63 -8.480 3.734 -2.504 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.200 3.157 -3.553 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.677 3.701 -1.965 1.00 0.90 N ATOM 0 H ASN A 63 -9.298 6.126 -2.424 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.593 6.427 -1.460 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.497 3.946 -1.772 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.738 4.510 -0.671 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.426 3.179 -2.419 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.857 4.197 -1.092 1.00 0.90 H new ATOM 208 N GLU A 64 -7.172 6.280 -4.604 1.00 0.23 N ATOM 209 CA GLU A 64 -6.552 6.370 -5.912 1.00 0.29 C ATOM 210 C GLU A 64 -5.575 7.534 -5.959 1.00 0.29 C ATOM 211 O GLU A 64 -4.412 7.365 -6.338 1.00 0.35 O ATOM 212 CB GLU A 64 -7.629 6.519 -6.985 1.00 0.38 C ATOM 213 CG GLU A 64 -8.540 5.310 -7.071 1.00 0.41 C ATOM 214 CD GLU A 64 -9.405 5.285 -8.315 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.529 5.828 -8.275 1.00 0.69 O ATOM 216 OE2 GLU A 64 -8.979 4.693 -9.328 1.00 0.88 O ATOM 0 H GLU A 64 -8.164 6.518 -4.589 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.992 5.455 -6.105 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.227 7.405 -6.773 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.153 6.680 -7.952 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.932 4.406 -7.044 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.183 5.288 -6.191 1.00 0.41 H new ATOM 223 N LYS A 65 -6.041 8.702 -5.541 1.00 0.27 N ATOM 224 CA LYS A 65 -5.201 9.892 -5.490 1.00 0.30 C ATOM 225 C LYS A 65 -4.223 9.800 -4.330 1.00 0.23 C ATOM 226 O LYS A 65 -3.108 10.304 -4.384 1.00 0.30 O ATOM 227 CB LYS A 65 -6.067 11.117 -5.335 1.00 0.39 C ATOM 228 CG LYS A 65 -7.018 10.938 -4.210 1.00 0.65 C ATOM 229 CD LYS A 65 -7.493 12.253 -3.619 1.00 1.23 C ATOM 230 CE LYS A 65 -6.326 13.065 -3.073 1.00 2.14 C ATOM 231 NZ LYS A 65 -6.783 14.176 -2.199 1.00 2.98 N ATOM 0 H LYS A 65 -7.001 8.852 -5.231 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.634 9.964 -6.418 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.442 11.992 -5.156 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -6.616 11.301 -6.258 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -7.881 10.370 -4.558 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -6.541 10.346 -3.429 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.015 12.830 -4.382 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.209 12.058 -2.821 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -5.661 12.411 -2.510 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -5.747 13.471 -3.902 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -5.958 14.704 -1.848 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -7.397 14.815 -2.743 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -7.314 13.788 -1.393 1.00 2.98 H new ATOM 245 N LEU A 66 -4.680 9.164 -3.279 1.00 0.16 N ATOM 246 CA LEU A 66 -3.892 8.959 -2.076 1.00 0.15 C ATOM 247 C LEU A 66 -2.676 8.075 -2.320 1.00 0.15 C ATOM 248 O LEU A 66 -1.544 8.460 -2.025 1.00 0.18 O ATOM 249 CB LEU A 66 -4.776 8.323 -1.025 1.00 0.15 C ATOM 250 CG LEU A 66 -4.953 9.160 0.214 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.226 8.777 0.953 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.724 8.989 1.079 1.00 0.22 C ATOM 0 H LEU A 66 -5.619 8.768 -3.229 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.522 9.929 -1.744 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.755 8.125 -1.460 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.352 7.359 -0.743 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.059 10.211 -0.054 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.330 9.396 1.844 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.086 8.932 0.301 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.176 7.728 1.244 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.830 9.587 1.984 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.612 7.939 1.349 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.843 9.317 0.528 1.00 0.22 H new ATOM 264 N PHE A 67 -2.929 6.878 -2.831 1.00 0.14 N ATOM 265 CA PHE A 67 -1.884 5.901 -3.100 1.00 0.15 C ATOM 266 C PHE A 67 -0.742 6.507 -3.912 1.00 0.17 C ATOM 267 O PHE A 67 0.431 6.232 -3.652 1.00 0.20 O ATOM 268 CB PHE A 67 -2.481 4.705 -3.846 1.00 0.15 C ATOM 269 CG PHE A 67 -1.737 3.437 -3.614 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.661 3.087 -4.402 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.125 2.596 -2.595 1.00 0.17 C ATOM 272 CE1 PHE A 67 0.020 1.911 -4.175 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.455 1.419 -2.360 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.376 1.072 -3.151 1.00 0.19 C ATOM 0 H PHE A 67 -3.867 6.557 -3.071 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.472 5.573 -2.146 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.517 4.572 -3.536 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.493 4.921 -4.914 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.349 3.740 -5.204 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -2.966 2.864 -1.973 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.862 1.645 -4.797 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -1.771 0.767 -1.559 1.00 0.18 H new ATOM 0 HZ PHE A 67 0.155 0.149 -2.970 1.00 0.19 H new ATOM 284 N GLU A 68 -1.081 7.345 -4.881 1.00 0.18 N ATOM 285 CA GLU A 68 -0.073 7.941 -5.740 1.00 0.23 C ATOM 286 C GLU A 68 0.748 9.009 -5.012 1.00 0.19 C ATOM 287 O GLU A 68 1.892 9.260 -5.390 1.00 0.24 O ATOM 288 CB GLU A 68 -0.692 8.499 -7.026 1.00 0.40 C ATOM 289 CG GLU A 68 -1.809 9.487 -6.809 1.00 0.54 C ATOM 290 CD GLU A 68 -2.344 10.061 -8.105 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.924 9.299 -8.908 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.199 11.281 -8.325 1.00 1.81 O ATOM 0 H GLU A 68 -2.039 7.625 -5.090 1.00 0.18 H new ATOM 0 HA GLU A 68 0.615 7.143 -6.019 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.092 8.980 -7.612 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.070 7.668 -7.621 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.621 8.998 -6.271 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.451 10.300 -6.177 1.00 0.54 H new ATOM 299 N GLU A 69 0.196 9.619 -3.956 1.00 0.19 N ATOM 300 CA GLU A 69 0.962 10.586 -3.171 1.00 0.22 C ATOM 301 C GLU A 69 2.160 9.885 -2.549 1.00 0.20 C ATOM 302 O GLU A 69 3.280 10.402 -2.528 1.00 0.28 O ATOM 303 CB GLU A 69 0.105 11.207 -2.069 1.00 0.26 C ATOM 304 CG GLU A 69 -1.149 11.878 -2.585 1.00 0.34 C ATOM 305 CD GLU A 69 -1.932 12.584 -1.497 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.351 13.451 -0.813 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.138 12.297 -1.330 1.00 1.78 O ATOM 0 H GLU A 69 -0.759 9.463 -3.633 1.00 0.19 H new ATOM 0 HA GLU A 69 1.294 11.385 -3.834 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.175 10.431 -1.357 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.702 11.939 -1.525 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.878 12.599 -3.356 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.786 11.131 -3.057 1.00 0.34 H new ATOM 314 N PHE A 70 1.895 8.683 -2.064 1.00 0.15 N ATOM 315 CA PHE A 70 2.905 7.822 -1.478 1.00 0.13 C ATOM 316 C PHE A 70 3.901 7.381 -2.542 1.00 0.13 C ATOM 317 O PHE A 70 5.112 7.432 -2.330 1.00 0.14 O ATOM 318 CB PHE A 70 2.207 6.609 -0.856 1.00 0.12 C ATOM 319 CG PHE A 70 3.086 5.746 0.004 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.218 5.157 -0.516 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.755 5.500 1.322 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.007 4.336 0.256 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.543 4.683 2.108 1.00 0.11 C ATOM 324 CZ PHE A 70 4.671 4.098 1.573 1.00 0.11 C ATOM 0 H PHE A 70 0.960 8.274 -2.067 1.00 0.15 H new ATOM 0 HA PHE A 70 3.456 8.362 -0.708 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.367 6.959 -0.256 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.793 5.996 -1.657 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.490 5.343 -1.545 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.869 5.952 1.743 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.888 3.878 -0.168 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.277 4.503 3.139 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.289 3.456 2.183 1.00 0.11 H new ATOM 334 N LEU A 71 3.393 6.973 -3.694 1.00 0.14 N ATOM 335 CA LEU A 71 4.227 6.419 -4.735 1.00 0.15 C ATOM 336 C LEU A 71 5.178 7.432 -5.296 1.00 0.16 C ATOM 337 O LEU A 71 6.348 7.146 -5.494 1.00 0.18 O ATOM 338 CB LEU A 71 3.352 5.889 -5.837 1.00 0.17 C ATOM 339 CG LEU A 71 2.684 4.587 -5.488 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.866 4.109 -6.652 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.745 3.586 -5.107 1.00 0.16 C ATOM 0 H LEU A 71 2.401 7.018 -3.927 1.00 0.14 H new ATOM 0 HA LEU A 71 4.822 5.617 -4.297 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.588 6.630 -6.074 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.953 5.752 -6.736 1.00 0.17 H new ATOM 0 HG LEU A 71 2.009 4.718 -4.642 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.384 3.166 -6.395 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.105 4.852 -6.892 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.514 3.962 -7.516 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.274 2.637 -4.851 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.425 3.440 -5.946 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.304 3.957 -4.248 1.00 0.16 H new ATOM 353 N GLU A 72 4.673 8.611 -5.553 1.00 0.16 N ATOM 354 CA GLU A 72 5.479 9.653 -6.132 1.00 0.19 C ATOM 355 C GLU A 72 6.550 10.106 -5.158 1.00 0.18 C ATOM 356 O GLU A 72 7.631 10.529 -5.564 1.00 0.21 O ATOM 357 CB GLU A 72 4.593 10.773 -6.621 1.00 0.24 C ATOM 358 CG GLU A 72 3.668 10.265 -7.708 1.00 0.29 C ATOM 359 CD GLU A 72 2.756 11.334 -8.259 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.209 12.486 -8.408 1.00 1.21 O ATOM 361 OE2 GLU A 72 1.569 11.033 -8.519 1.00 1.17 O ATOM 0 H GLU A 72 3.705 8.873 -5.370 1.00 0.16 H new ATOM 0 HA GLU A 72 6.012 9.271 -7.003 1.00 0.19 H new ATOM 0 HB2 GLU A 72 4.009 11.174 -5.793 1.00 0.24 H new ATOM 0 HB3 GLU A 72 5.204 11.590 -7.005 1.00 0.24 H new ATOM 0 HG2 GLU A 72 4.265 9.852 -8.521 1.00 0.29 H new ATOM 0 HG3 GLU A 72 3.063 9.450 -7.310 1.00 0.29 H new ATOM 368 N LEU A 73 6.244 10.011 -3.873 1.00 0.16 N ATOM 369 CA LEU A 73 7.251 10.142 -2.840 1.00 0.16 C ATOM 370 C LEU A 73 8.253 8.998 -2.959 1.00 0.15 C ATOM 371 O LEU A 73 9.463 9.219 -2.954 1.00 0.18 O ATOM 372 CB LEU A 73 6.579 10.114 -1.467 1.00 0.16 C ATOM 373 CG LEU A 73 7.492 9.771 -0.291 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.882 11.020 0.484 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.799 8.765 0.610 1.00 0.16 C ATOM 0 H LEU A 73 5.301 9.843 -3.523 1.00 0.16 H new ATOM 0 HA LEU A 73 7.778 11.089 -2.958 1.00 0.16 H new ATOM 0 HB2 LEU A 73 6.130 11.090 -1.282 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.765 9.389 -1.495 1.00 0.16 H new ATOM 0 HG LEU A 73 8.411 9.329 -0.675 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.532 10.745 1.315 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.409 11.708 -0.177 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.985 11.504 0.870 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.450 8.520 1.449 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.869 9.192 0.985 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.580 7.860 0.044 1.00 0.16 H new ATOM 387 N CYS A 74 7.736 7.779 -3.109 1.00 0.13 N ATOM 388 CA CYS A 74 8.570 6.594 -3.184 1.00 0.13 C ATOM 389 C CYS A 74 9.507 6.656 -4.393 1.00 0.15 C ATOM 390 O CYS A 74 10.648 6.208 -4.316 1.00 0.18 O ATOM 391 CB CYS A 74 7.686 5.349 -3.253 1.00 0.16 C ATOM 392 SG CYS A 74 8.569 3.799 -3.005 1.00 0.50 S ATOM 0 H CYS A 74 6.736 7.592 -3.181 1.00 0.13 H new ATOM 0 HA CYS A 74 9.189 6.545 -2.288 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.902 5.432 -2.500 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.193 5.321 -4.225 1.00 0.16 H new ATOM 0 HG CYS A 74 9.634 3.782 -3.750 1.00 0.50 H new ATOM 398 N LYS A 75 9.032 7.241 -5.498 1.00 0.18 N ATOM 399 CA LYS A 75 9.835 7.388 -6.711 1.00 0.22 C ATOM 400 C LYS A 75 11.104 8.194 -6.446 1.00 0.22 C ATOM 401 O LYS A 75 12.088 8.077 -7.181 1.00 0.26 O ATOM 402 CB LYS A 75 9.012 8.066 -7.791 1.00 0.28 C ATOM 403 CG LYS A 75 7.707 7.351 -8.081 1.00 0.57 C ATOM 404 CD LYS A 75 6.988 8.000 -9.233 1.00 0.61 C ATOM 405 CE LYS A 75 5.590 7.447 -9.433 1.00 0.38 C ATOM 406 NZ LYS A 75 5.065 7.715 -10.798 1.00 0.96 N ATOM 0 H LYS A 75 8.089 7.622 -5.574 1.00 0.18 H new ATOM 0 HA LYS A 75 10.131 6.393 -7.043 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.798 9.091 -7.487 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.600 8.121 -8.707 1.00 0.28 H new ATOM 0 HG2 LYS A 75 7.904 6.304 -8.312 1.00 0.57 H new ATOM 0 HG3 LYS A 75 7.073 7.368 -7.195 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.929 9.075 -9.061 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.566 7.855 -10.146 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.598 6.372 -9.254 1.00 0.38 H new ATOM 0 HE3 LYS A 75 4.919 7.887 -8.696 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.136 7.260 -10.908 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 4.967 8.741 -10.937 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.724 7.332 -11.505 1.00 0.96 H new ATOM 420 N MET A 76 11.080 9.007 -5.396 1.00 0.22 N ATOM 421 CA MET A 76 12.223 9.842 -5.052 1.00 0.26 C ATOM 422 C MET A 76 13.094 9.109 -4.055 1.00 0.25 C ATOM 423 O MET A 76 14.319 9.182 -4.093 1.00 0.32 O ATOM 424 CB MET A 76 11.773 11.164 -4.417 1.00 0.29 C ATOM 425 CG MET A 76 10.491 11.737 -4.985 1.00 0.27 C ATOM 426 SD MET A 76 10.097 13.368 -4.317 1.00 0.32 S ATOM 427 CE MET A 76 9.887 12.984 -2.578 1.00 0.35 C ATOM 0 H MET A 76 10.282 9.105 -4.769 1.00 0.22 H new ATOM 0 HA MET A 76 12.773 10.056 -5.968 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.643 11.011 -3.346 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.569 11.899 -4.539 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.578 11.805 -6.069 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.668 11.054 -4.773 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.973 13.451 -2.210 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.819 11.904 -2.450 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.740 13.364 -2.016 1.00 0.35 H new ATOM 437 N GLN A 77 12.432 8.396 -3.164 1.00 0.21 N ATOM 438 CA GLN A 77 13.086 7.732 -2.057 1.00 0.22 C ATOM 439 C GLN A 77 13.764 6.457 -2.521 1.00 0.21 C ATOM 440 O GLN A 77 14.978 6.295 -2.392 1.00 0.24 O ATOM 441 CB GLN A 77 12.047 7.386 -0.996 1.00 0.23 C ATOM 442 CG GLN A 77 11.159 8.543 -0.574 1.00 0.30 C ATOM 443 CD GLN A 77 11.845 9.537 0.330 1.00 0.52 C ATOM 444 OE1 GLN A 77 13.055 9.751 0.254 1.00 0.98 O ATOM 445 NE2 GLN A 77 11.063 10.151 1.197 1.00 0.48 N ATOM 0 H GLN A 77 11.421 8.262 -3.189 1.00 0.21 H new ATOM 0 HA GLN A 77 13.841 8.401 -1.645 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.416 6.581 -1.374 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.561 7.001 -0.115 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.804 9.061 -1.465 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.281 8.148 -0.064 1.00 0.30 H new ATOM 0 HE21 GLN A 77 10.065 9.940 1.222 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.456 10.837 1.842 1.00 0.48 H new ATOM 454 N THR A 78 12.969 5.557 -3.077 1.00 0.18 N ATOM 455 CA THR A 78 13.465 4.284 -3.543 1.00 0.20 C ATOM 456 C THR A 78 13.956 4.422 -4.973 1.00 0.22 C ATOM 457 O THR A 78 13.600 3.644 -5.851 1.00 0.24 O ATOM 458 CB THR A 78 12.371 3.202 -3.451 1.00 0.20 C ATOM 459 OG1 THR A 78 11.277 3.519 -4.320 1.00 0.56 O ATOM 460 CG2 THR A 78 11.862 3.086 -2.024 1.00 0.42 C ATOM 0 H THR A 78 11.968 5.693 -3.215 1.00 0.18 H new ATOM 0 HA THR A 78 14.295 3.976 -2.907 1.00 0.20 H new ATOM 0 HB THR A 78 12.808 2.251 -3.757 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.177 4.492 -4.379 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.090 2.318 -1.974 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.686 2.815 -1.365 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.444 4.042 -1.708 1.00 0.42 H new ATOM 468 N ALA A 79 14.766 5.439 -5.196 1.00 0.25 N ATOM 469 CA ALA A 79 15.321 5.708 -6.508 1.00 0.30 C ATOM 470 C ALA A 79 16.410 4.689 -6.842 1.00 0.34 C ATOM 471 O ALA A 79 16.726 4.446 -8.007 1.00 0.42 O ATOM 472 CB ALA A 79 15.851 7.129 -6.541 1.00 0.32 C ATOM 0 H ALA A 79 15.057 6.100 -4.475 1.00 0.25 H new ATOM 0 HA ALA A 79 14.545 5.612 -7.267 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.270 7.338 -7.525 1.00 0.32 H new ATOM 0 HB2 ALA A 79 15.038 7.826 -6.337 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.627 7.246 -5.784 1.00 0.32 H new ATOM 478 N ASP A 80 16.976 4.099 -5.794 1.00 0.35 N ATOM 479 CA ASP A 80 17.936 3.003 -5.926 1.00 0.44 C ATOM 480 C ASP A 80 17.209 1.700 -6.259 1.00 0.38 C ATOM 481 O ASP A 80 17.799 0.751 -6.780 1.00 0.44 O ATOM 482 CB ASP A 80 18.733 2.862 -4.621 1.00 0.59 C ATOM 483 CG ASP A 80 19.615 1.627 -4.572 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.494 1.495 -5.448 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.413 0.770 -3.688 1.00 2.29 O ATOM 0 H ASP A 80 16.784 4.365 -4.828 1.00 0.35 H new ATOM 0 HA ASP A 80 18.627 3.223 -6.740 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.355 3.747 -4.489 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.037 2.834 -3.782 1.00 0.59 H new ATOM 490 N HIS A 81 15.914 1.671 -5.973 1.00 0.35 N ATOM 491 CA HIS A 81 15.090 0.498 -6.251 1.00 0.39 C ATOM 492 C HIS A 81 13.709 0.902 -6.745 1.00 0.34 C ATOM 493 O HIS A 81 12.736 0.863 -5.989 1.00 0.30 O ATOM 494 CB HIS A 81 14.952 -0.398 -5.014 1.00 0.49 C ATOM 495 CG HIS A 81 16.106 -1.326 -4.816 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.240 -2.506 -5.508 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.186 -1.242 -4.009 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.351 -3.104 -5.140 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.948 -2.360 -4.230 1.00 1.12 N ATOM 0 H HIS A 81 15.409 2.448 -5.547 1.00 0.35 H new ATOM 0 HA HIS A 81 15.595 -0.067 -7.034 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.847 0.231 -4.130 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.036 -0.983 -5.100 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.580 -2.862 -6.199 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.408 -0.442 -3.318 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.714 -4.048 -5.520 1.00 2.11 H new ATOM 508 N PRO A 82 13.600 1.295 -8.027 1.00 0.39 N ATOM 509 CA PRO A 82 12.325 1.678 -8.636 1.00 0.39 C ATOM 510 C PRO A 82 11.396 0.486 -8.886 1.00 0.35 C ATOM 511 O PRO A 82 10.564 0.519 -9.792 1.00 0.39 O ATOM 512 CB PRO A 82 12.751 2.311 -9.960 1.00 0.50 C ATOM 513 CG PRO A 82 14.035 1.648 -10.296 1.00 0.53 C ATOM 514 CD PRO A 82 14.717 1.417 -8.984 1.00 0.48 C ATOM 0 HA PRO A 82 11.751 2.339 -7.987 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.004 2.146 -10.737 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.875 3.389 -9.862 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.866 0.708 -10.822 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.642 2.275 -10.949 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.328 0.515 -9.004 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.378 2.244 -8.725 1.00 0.48 H new ATOM 522 N GLU A 83 11.550 -0.573 -8.099 1.00 0.29 N ATOM 523 CA GLU A 83 10.632 -1.703 -8.153 1.00 0.26 C ATOM 524 C GLU A 83 9.462 -1.466 -7.204 1.00 0.19 C ATOM 525 O GLU A 83 8.347 -1.898 -7.468 1.00 0.22 O ATOM 526 CB GLU A 83 11.325 -3.014 -7.773 1.00 0.33 C ATOM 527 CG GLU A 83 12.590 -3.304 -8.558 1.00 0.49 C ATOM 528 CD GLU A 83 13.834 -2.809 -7.850 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.340 -3.521 -6.962 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.301 -1.703 -8.166 1.00 2.05 O ATOM 0 H GLU A 83 12.302 -0.672 -7.417 1.00 0.29 H new ATOM 0 HA GLU A 83 10.275 -1.787 -9.179 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.569 -2.987 -6.711 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.625 -3.837 -7.919 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.673 -4.378 -8.725 1.00 0.49 H new ATOM 0 HG3 GLU A 83 12.522 -2.834 -9.539 1.00 0.49 H new ATOM 537 N VAL A 84 9.741 -0.757 -6.110 1.00 0.15 N ATOM 538 CA VAL A 84 8.767 -0.515 -5.044 1.00 0.11 C ATOM 539 C VAL A 84 7.472 0.100 -5.568 1.00 0.11 C ATOM 540 O VAL A 84 6.387 -0.439 -5.370 1.00 0.13 O ATOM 541 CB VAL A 84 9.335 0.470 -4.013 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.425 0.523 -2.813 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.758 0.114 -3.613 1.00 0.14 C ATOM 0 H VAL A 84 10.652 -0.333 -5.937 1.00 0.15 H new ATOM 0 HA VAL A 84 8.560 -1.489 -4.601 1.00 0.11 H new ATOM 0 HB VAL A 84 9.380 1.459 -4.469 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.829 1.223 -2.081 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.434 0.854 -3.123 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.354 -0.469 -2.366 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.122 0.836 -2.882 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.774 -0.884 -3.176 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.400 0.135 -4.494 1.00 0.14 H new ATOM 553 N VAL A 85 7.615 1.235 -6.229 1.00 0.11 N ATOM 554 CA VAL A 85 6.483 1.994 -6.749 1.00 0.13 C ATOM 555 C VAL A 85 5.609 1.149 -7.689 1.00 0.15 C ATOM 556 O VAL A 85 4.416 0.993 -7.433 1.00 0.16 O ATOM 557 CB VAL A 85 6.977 3.268 -7.465 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.830 4.190 -7.807 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.999 3.987 -6.605 1.00 0.15 C ATOM 0 H VAL A 85 8.521 1.661 -6.423 1.00 0.11 H new ATOM 0 HA VAL A 85 5.861 2.282 -5.901 1.00 0.13 H new ATOM 0 HB VAL A 85 7.449 2.968 -8.401 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.214 5.077 -8.310 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.132 3.673 -8.465 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.316 4.486 -6.893 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.341 4.885 -7.120 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.544 4.265 -5.655 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.848 3.328 -6.422 1.00 0.15 H new ATOM 569 N PRO A 86 6.173 0.576 -8.776 1.00 0.17 N ATOM 570 CA PRO A 86 5.417 -0.316 -9.667 1.00 0.20 C ATOM 571 C PRO A 86 4.846 -1.524 -8.927 1.00 0.18 C ATOM 572 O PRO A 86 3.779 -2.034 -9.279 1.00 0.20 O ATOM 573 CB PRO A 86 6.450 -0.771 -10.699 1.00 0.23 C ATOM 574 CG PRO A 86 7.513 0.269 -10.666 1.00 0.22 C ATOM 575 CD PRO A 86 7.556 0.770 -9.251 1.00 0.17 C ATOM 0 HA PRO A 86 4.557 0.191 -10.105 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.851 -1.753 -10.449 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.007 -0.851 -11.692 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.476 -0.147 -10.962 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.289 1.079 -11.360 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.270 0.209 -8.648 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.853 1.818 -9.205 1.00 0.17 H new ATOM 583 N PHE A 87 5.564 -1.971 -7.905 1.00 0.16 N ATOM 584 CA PHE A 87 5.133 -3.087 -7.076 1.00 0.15 C ATOM 585 C PHE A 87 3.851 -2.722 -6.333 1.00 0.14 C ATOM 586 O PHE A 87 2.869 -3.470 -6.360 1.00 0.16 O ATOM 587 CB PHE A 87 6.241 -3.446 -6.092 1.00 0.17 C ATOM 588 CG PHE A 87 6.169 -4.842 -5.564 1.00 0.21 C ATOM 589 CD1 PHE A 87 5.621 -5.840 -6.337 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.633 -5.154 -4.297 1.00 0.21 C ATOM 591 CE1 PHE A 87 5.534 -7.132 -5.867 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.551 -6.445 -3.817 1.00 0.25 C ATOM 593 CZ PHE A 87 6.073 -7.425 -4.564 1.00 0.38 C ATOM 0 H PHE A 87 6.460 -1.570 -7.628 1.00 0.16 H new ATOM 0 HA PHE A 87 4.928 -3.952 -7.707 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.205 -3.305 -6.581 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.205 -2.751 -5.253 1.00 0.17 H new ATOM 0 HD1 PHE A 87 5.254 -5.607 -7.326 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.063 -4.380 -3.679 1.00 0.21 H new ATOM 0 HE1 PHE A 87 5.073 -7.907 -6.461 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.884 -6.659 -2.812 1.00 0.25 H new ATOM 0 HZ PHE A 87 6.087 -8.441 -4.199 1.00 0.38 H new ATOM 603 N LEU A 88 3.864 -1.557 -5.690 1.00 0.12 N ATOM 604 CA LEU A 88 2.686 -1.042 -5.001 1.00 0.13 C ATOM 605 C LEU A 88 1.540 -0.809 -5.978 1.00 0.14 C ATOM 606 O LEU A 88 0.390 -1.144 -5.685 1.00 0.16 O ATOM 607 CB LEU A 88 3.014 0.261 -4.272 1.00 0.13 C ATOM 608 CG LEU A 88 3.973 0.132 -3.094 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.065 1.457 -2.351 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.515 -0.983 -2.164 1.00 0.20 C ATOM 0 H LEU A 88 4.682 -0.950 -5.632 1.00 0.12 H new ATOM 0 HA LEU A 88 2.376 -1.790 -4.271 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.441 0.961 -4.990 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.083 0.700 -3.913 1.00 0.13 H new ATOM 0 HG LEU A 88 4.965 -0.122 -3.466 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.752 1.356 -1.511 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.430 2.229 -3.028 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.078 1.736 -1.981 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.208 -1.066 -1.326 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.517 -0.757 -1.789 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.492 -1.926 -2.710 1.00 0.20 H new ATOM 622 N TYR A 89 1.867 -0.245 -7.144 1.00 0.16 N ATOM 623 CA TYR A 89 0.870 -0.014 -8.196 1.00 0.20 C ATOM 624 C TYR A 89 0.139 -1.311 -8.506 1.00 0.21 C ATOM 625 O TYR A 89 -1.092 -1.374 -8.517 1.00 0.25 O ATOM 626 CB TYR A 89 1.520 0.461 -9.506 1.00 0.22 C ATOM 627 CG TYR A 89 1.741 1.951 -9.657 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.678 2.821 -9.866 1.00 0.34 C ATOM 629 CD2 TYR A 89 3.021 2.478 -9.638 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.891 4.178 -10.038 1.00 0.42 C ATOM 631 CE2 TYR A 89 3.243 3.826 -9.818 1.00 0.37 C ATOM 632 CZ TYR A 89 2.178 4.674 -10.017 1.00 0.43 C ATOM 633 OH TYR A 89 2.405 6.020 -10.205 1.00 0.54 O ATOM 0 H TYR A 89 2.810 0.060 -7.384 1.00 0.16 H new ATOM 0 HA TYR A 89 0.190 0.753 -7.825 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.484 -0.037 -9.607 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.898 0.124 -10.335 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.329 2.433 -9.895 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.862 1.820 -9.479 1.00 0.28 H new ATOM 0 HE1 TYR A 89 0.054 4.844 -10.188 1.00 0.42 H new ATOM 0 HE2 TYR A 89 4.250 4.216 -9.803 1.00 0.37 H new ATOM 0 HH TYR A 89 2.990 6.356 -9.494 1.00 0.54 H new ATOM 643 N ASN A 90 0.932 -2.349 -8.726 1.00 0.19 N ATOM 644 CA ASN A 90 0.441 -3.625 -9.204 1.00 0.23 C ATOM 645 C ASN A 90 -0.419 -4.315 -8.156 1.00 0.22 C ATOM 646 O ASN A 90 -1.495 -4.827 -8.462 1.00 0.27 O ATOM 647 CB ASN A 90 1.623 -4.512 -9.570 1.00 0.27 C ATOM 648 CG ASN A 90 1.232 -5.650 -10.485 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.256 -5.516 -11.708 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.873 -6.777 -9.906 1.00 0.67 N ATOM 0 H ASN A 90 1.941 -2.326 -8.576 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.180 -3.450 -10.083 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.390 -3.908 -10.054 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.064 -4.917 -8.660 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.602 -7.579 -10.475 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.866 -6.848 -8.888 1.00 0.67 H new ATOM 657 N ARG A 91 0.059 -4.320 -6.920 1.00 0.19 N ATOM 658 CA ARG A 91 -0.658 -4.970 -5.832 1.00 0.20 C ATOM 659 C ARG A 91 -1.992 -4.277 -5.562 1.00 0.20 C ATOM 660 O ARG A 91 -2.971 -4.938 -5.212 1.00 0.22 O ATOM 661 CB ARG A 91 0.204 -5.019 -4.568 1.00 0.22 C ATOM 662 CG ARG A 91 -0.508 -5.634 -3.373 1.00 0.26 C ATOM 663 CD ARG A 91 -1.137 -6.979 -3.706 1.00 0.36 C ATOM 664 NE ARG A 91 -0.153 -8.056 -3.852 1.00 0.80 N ATOM 665 CZ ARG A 91 0.643 -8.508 -2.871 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.635 -7.951 -1.665 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.453 -9.527 -3.104 1.00 1.25 N ATOM 0 H ARG A 91 0.938 -3.882 -6.646 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.873 -5.995 -6.134 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.108 -5.591 -4.776 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.519 -4.007 -4.313 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.202 -5.760 -2.555 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.281 -4.951 -3.022 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.845 -7.246 -2.921 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.706 -6.888 -4.631 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.067 -8.495 -4.769 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.016 -7.164 -1.471 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.248 -8.310 -0.933 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.470 -9.965 -4.025 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.061 -9.875 -2.363 1.00 1.25 H new ATOM 681 N GLN A 92 -2.045 -2.960 -5.750 1.00 0.19 N ATOM 682 CA GLN A 92 -3.295 -2.227 -5.566 1.00 0.21 C ATOM 683 C GLN A 92 -4.319 -2.688 -6.595 1.00 0.24 C ATOM 684 O GLN A 92 -5.510 -2.782 -6.307 1.00 0.26 O ATOM 685 CB GLN A 92 -3.087 -0.714 -5.681 1.00 0.23 C ATOM 686 CG GLN A 92 -4.354 0.084 -5.387 1.00 0.34 C ATOM 687 CD GLN A 92 -4.207 1.569 -5.652 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.442 1.990 -6.518 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.955 2.377 -4.915 1.00 0.78 N ATOM 0 H GLN A 92 -1.249 -2.385 -6.026 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.661 -2.437 -4.561 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.302 -0.407 -4.990 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.739 -0.476 -6.686 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.170 -0.307 -5.995 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.634 -0.065 -4.344 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.578 1.990 -4.206 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.908 3.386 -5.057 1.00 0.78 H new ATOM 698 N GLN A 93 -3.837 -2.995 -7.794 1.00 0.26 N ATOM 699 CA GLN A 93 -4.705 -3.453 -8.872 1.00 0.32 C ATOM 700 C GLN A 93 -5.187 -4.871 -8.581 1.00 0.34 C ATOM 701 O GLN A 93 -6.256 -5.282 -9.025 1.00 0.40 O ATOM 702 CB GLN A 93 -3.975 -3.434 -10.224 1.00 0.36 C ATOM 703 CG GLN A 93 -3.311 -2.115 -10.574 1.00 0.38 C ATOM 704 CD GLN A 93 -4.241 -0.936 -10.456 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.946 -0.571 -11.397 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.227 -0.321 -9.295 1.00 0.57 N ATOM 0 H GLN A 93 -2.850 -2.935 -8.044 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.555 -2.774 -8.929 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.216 -4.217 -10.222 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.689 -3.684 -11.009 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.454 -1.961 -9.918 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.927 -2.167 -11.593 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.625 -0.661 -8.545 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.818 0.497 -9.144 1.00 0.57 H new ATOM 715 N ARG A 94 -4.385 -5.614 -7.825 1.00 0.33 N ATOM 716 CA ARG A 94 -4.700 -7.000 -7.499 1.00 0.38 C ATOM 717 C ARG A 94 -5.503 -7.082 -6.208 1.00 0.32 C ATOM 718 O ARG A 94 -5.940 -8.158 -5.800 1.00 0.46 O ATOM 719 CB ARG A 94 -3.417 -7.829 -7.401 1.00 0.47 C ATOM 720 CG ARG A 94 -2.587 -7.747 -8.670 1.00 0.70 C ATOM 721 CD ARG A 94 -3.419 -8.101 -9.888 1.00 0.95 C ATOM 722 NE ARG A 94 -2.889 -7.513 -11.115 1.00 1.67 N ATOM 723 CZ ARG A 94 -3.356 -7.786 -12.334 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.273 -8.729 -12.518 1.00 2.73 N ATOM 725 NH2 ARG A 94 -2.889 -7.119 -13.376 1.00 3.24 N ATOM 0 H ARG A 94 -3.509 -5.278 -7.425 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.313 -7.413 -8.300 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.823 -7.479 -6.556 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.672 -8.870 -7.202 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.184 -6.740 -8.781 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.736 -8.425 -8.597 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.458 -9.185 -9.995 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -4.443 -7.759 -9.737 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.115 -6.854 -11.035 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.630 -9.256 -11.721 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.620 -8.926 -13.456 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -2.176 -6.401 -13.244 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -3.241 -7.322 -14.311 1.00 3.24 H new ATOM 739 N ALA A 95 -5.702 -5.935 -5.581 1.00 0.28 N ATOM 740 CA ALA A 95 -6.542 -5.840 -4.402 1.00 0.25 C ATOM 741 C ALA A 95 -7.983 -5.608 -4.831 1.00 0.26 C ATOM 742 O ALA A 95 -8.249 -4.797 -5.718 1.00 0.36 O ATOM 743 CB ALA A 95 -6.052 -4.716 -3.497 1.00 0.25 C ATOM 0 H ALA A 95 -5.288 -5.050 -5.873 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.489 -6.771 -3.837 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.690 -4.654 -2.615 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.026 -4.918 -3.189 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.089 -3.771 -4.038 1.00 0.25 H new ATOM 749 N HIS A 96 -8.904 -6.355 -4.239 1.00 0.29 N ATOM 750 CA HIS A 96 -10.314 -6.215 -4.563 1.00 0.29 C ATOM 751 C HIS A 96 -10.798 -4.818 -4.196 1.00 0.27 C ATOM 752 O HIS A 96 -10.527 -4.318 -3.103 1.00 0.29 O ATOM 753 CB HIS A 96 -11.152 -7.272 -3.845 1.00 0.33 C ATOM 754 CG HIS A 96 -12.486 -7.487 -4.489 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.575 -6.721 -4.161 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.838 -8.374 -5.447 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.561 -7.154 -4.927 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.163 -8.155 -5.726 1.00 0.50 N ATOM 0 H HIS A 96 -8.700 -7.063 -3.533 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.433 -6.363 -5.636 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.605 -8.214 -3.829 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.298 -6.971 -2.808 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.198 -9.114 -5.905 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.563 -6.752 -4.912 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.734 -8.655 -6.407 1.00 0.50 H new ATOM 766 N SER A 97 -11.519 -4.205 -5.117 1.00 0.32 N ATOM 767 CA SER A 97 -11.895 -2.800 -5.008 1.00 0.37 C ATOM 768 C SER A 97 -12.882 -2.523 -3.870 1.00 0.33 C ATOM 769 O SER A 97 -13.147 -1.362 -3.561 1.00 0.39 O ATOM 770 CB SER A 97 -12.490 -2.319 -6.333 1.00 0.48 C ATOM 771 OG SER A 97 -12.810 -0.935 -6.286 1.00 1.46 O ATOM 0 H SER A 97 -11.862 -4.663 -5.962 1.00 0.32 H new ATOM 0 HA SER A 97 -10.983 -2.250 -4.776 1.00 0.37 H new ATOM 0 HB2 SER A 97 -11.781 -2.503 -7.140 1.00 0.48 H new ATOM 0 HB3 SER A 97 -13.388 -2.894 -6.560 1.00 0.48 H new ATOM 0 HG SER A 97 -13.016 -0.678 -5.363 1.00 1.46 H new ATOM 777 N LEU A 98 -13.432 -3.562 -3.248 1.00 0.29 N ATOM 778 CA LEU A 98 -14.389 -3.361 -2.173 1.00 0.32 C ATOM 779 C LEU A 98 -13.722 -2.813 -0.918 1.00 0.35 C ATOM 780 O LEU A 98 -14.199 -1.835 -0.340 1.00 0.43 O ATOM 781 CB LEU A 98 -15.135 -4.654 -1.868 1.00 0.35 C ATOM 782 CG LEU A 98 -16.242 -4.996 -2.867 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.008 -6.226 -2.414 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.180 -3.811 -3.038 1.00 0.67 C ATOM 0 H LEU A 98 -13.233 -4.538 -3.468 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.110 -2.616 -2.511 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.419 -5.475 -1.843 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.571 -4.581 -0.872 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.785 -5.217 -3.831 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.791 -6.454 -3.137 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.326 -7.073 -2.340 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.458 -6.036 -1.440 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.963 -4.067 -3.751 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.631 -3.562 -2.077 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.619 -2.953 -3.408 1.00 0.67 H new ATOM 796 N PHE A 99 -12.631 -3.440 -0.491 1.00 0.32 N ATOM 797 CA PHE A 99 -11.861 -2.916 0.633 1.00 0.34 C ATOM 798 C PHE A 99 -11.272 -1.559 0.281 1.00 0.34 C ATOM 799 O PHE A 99 -11.271 -0.644 1.107 1.00 0.39 O ATOM 800 CB PHE A 99 -10.741 -3.872 1.045 1.00 0.36 C ATOM 801 CG PHE A 99 -9.753 -3.254 2.002 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.128 -2.925 3.295 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.450 -2.990 1.600 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.224 -2.350 4.169 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.544 -2.418 2.468 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.931 -2.097 3.755 1.00 0.58 C ATOM 0 H PHE A 99 -12.263 -4.300 -0.899 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.543 -2.810 1.476 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.179 -4.757 1.507 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.212 -4.207 0.153 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.138 -3.120 3.624 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.142 -3.236 0.594 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.529 -2.099 5.174 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.533 -2.221 2.142 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.223 -1.649 4.436 1.00 0.58 H new ATOM 816 N LEU A 100 -10.755 -1.438 -0.940 1.00 0.31 N ATOM 817 CA LEU A 100 -10.217 -0.174 -1.401 1.00 0.36 C ATOM 818 C LEU A 100 -11.274 0.923 -1.278 1.00 0.45 C ATOM 819 O LEU A 100 -11.034 1.955 -0.660 1.00 0.79 O ATOM 820 CB LEU A 100 -9.746 -0.294 -2.851 1.00 0.37 C ATOM 821 CG LEU A 100 -8.824 -1.484 -3.139 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.449 -1.518 -4.608 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.573 -1.434 -2.271 1.00 0.70 C ATOM 0 H LEU A 100 -10.700 -2.198 -1.619 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.362 0.090 -0.779 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.621 -0.368 -3.496 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -9.225 0.624 -3.125 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.366 -2.397 -2.894 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.794 -2.369 -4.797 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.351 -1.614 -5.212 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.932 -0.596 -4.873 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.938 -2.291 -2.498 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -7.026 -0.513 -2.474 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.858 -1.462 -1.219 1.00 0.70 H new ATOM 835 N ALA A 101 -12.475 0.666 -1.793 1.00 0.28 N ATOM 836 CA ALA A 101 -13.557 1.641 -1.710 1.00 0.33 C ATOM 837 C ALA A 101 -14.217 1.599 -0.335 1.00 0.36 C ATOM 838 O ALA A 101 -15.446 1.576 -0.208 1.00 0.57 O ATOM 839 CB ALA A 101 -14.584 1.419 -2.810 1.00 0.36 C ATOM 0 H ALA A 101 -12.721 -0.202 -2.268 1.00 0.28 H new ATOM 0 HA ALA A 101 -13.126 2.632 -1.853 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -15.378 2.161 -2.722 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -14.102 1.517 -3.783 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -15.009 0.420 -2.715 1.00 0.36 H new ATOM 845 N SER A 102 -13.382 1.585 0.688 1.00 0.34 N ATOM 846 CA SER A 102 -13.824 1.651 2.061 1.00 0.36 C ATOM 847 C SER A 102 -12.882 2.576 2.824 1.00 0.36 C ATOM 848 O SER A 102 -11.665 2.540 2.623 1.00 0.46 O ATOM 849 CB SER A 102 -13.833 0.253 2.687 1.00 0.40 C ATOM 850 OG SER A 102 -14.650 0.220 3.844 1.00 1.39 O ATOM 0 H SER A 102 -12.369 1.527 0.584 1.00 0.34 H new ATOM 0 HA SER A 102 -14.841 2.041 2.107 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.197 -0.473 1.960 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.816 -0.039 2.947 1.00 0.40 H new ATOM 0 HG SER A 102 -14.641 -0.683 4.225 1.00 1.39 H new ATOM 856 N ALA A 103 -13.463 3.428 3.672 1.00 0.35 N ATOM 857 CA ALA A 103 -12.713 4.430 4.423 1.00 0.36 C ATOM 858 C ALA A 103 -11.559 3.835 5.210 1.00 0.29 C ATOM 859 O ALA A 103 -10.629 4.551 5.581 1.00 0.30 O ATOM 860 CB ALA A 103 -13.635 5.166 5.372 1.00 0.44 C ATOM 0 H ALA A 103 -14.466 3.440 3.855 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.292 5.118 3.690 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.066 5.911 5.928 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.423 5.661 4.804 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.081 4.457 6.069 1.00 0.44 H new ATOM 866 N GLU A 104 -11.623 2.542 5.483 1.00 0.29 N ATOM 867 CA GLU A 104 -10.561 1.885 6.214 1.00 0.30 C ATOM 868 C GLU A 104 -9.240 2.038 5.470 1.00 0.26 C ATOM 869 O GLU A 104 -8.253 2.503 6.036 1.00 0.30 O ATOM 870 CB GLU A 104 -10.873 0.404 6.424 1.00 0.39 C ATOM 871 CG GLU A 104 -9.858 -0.299 7.312 1.00 0.49 C ATOM 872 CD GLU A 104 -10.263 -1.715 7.668 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.321 -1.882 8.309 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.527 -2.661 7.314 1.00 1.81 O ATOM 0 H GLU A 104 -12.395 1.933 5.210 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.480 2.359 7.192 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.864 0.307 6.868 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -10.907 -0.095 5.456 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -8.893 -0.319 6.806 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.725 0.276 8.228 1.00 0.49 H new ATOM 881 N PHE A 105 -9.239 1.684 4.188 1.00 0.22 N ATOM 882 CA PHE A 105 -8.033 1.774 3.377 1.00 0.20 C ATOM 883 C PHE A 105 -7.592 3.228 3.245 1.00 0.19 C ATOM 884 O PHE A 105 -6.396 3.525 3.217 1.00 0.16 O ATOM 885 CB PHE A 105 -8.249 1.153 1.996 1.00 0.21 C ATOM 886 CG PHE A 105 -6.985 1.087 1.189 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.872 0.438 1.694 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.902 1.680 -0.058 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.700 0.383 0.973 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.729 1.627 -0.788 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.627 0.981 -0.271 1.00 0.16 C ATOM 0 H PHE A 105 -10.058 1.333 3.691 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.245 1.212 3.878 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.654 0.148 2.113 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -8.993 1.735 1.452 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.923 -0.031 2.665 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.762 2.190 -0.466 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.839 -0.127 1.379 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.676 2.091 -1.762 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.708 0.942 -0.837 1.00 0.16 H new ATOM 901 N CYS A 106 -8.568 4.128 3.162 1.00 0.27 N ATOM 902 CA CYS A 106 -8.297 5.565 3.194 1.00 0.27 C ATOM 903 C CYS A 106 -7.452 5.931 4.422 1.00 0.27 C ATOM 904 O CYS A 106 -6.478 6.682 4.313 1.00 0.28 O ATOM 905 CB CYS A 106 -9.610 6.353 3.195 1.00 0.29 C ATOM 906 SG CYS A 106 -9.403 8.149 3.183 1.00 0.59 S ATOM 0 H CYS A 106 -9.555 3.889 3.072 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.732 5.828 2.300 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.195 6.061 2.323 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.188 6.072 4.076 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.452 8.703 2.652 1.00 0.59 H new ATOM 912 N ASN A 107 -7.818 5.385 5.584 1.00 0.28 N ATOM 913 CA ASN A 107 -7.029 5.565 6.808 1.00 0.30 C ATOM 914 C ASN A 107 -5.639 5.001 6.633 1.00 0.24 C ATOM 915 O ASN A 107 -4.658 5.676 6.908 1.00 0.23 O ATOM 916 CB ASN A 107 -7.679 4.871 7.998 1.00 0.37 C ATOM 917 CG ASN A 107 -8.841 5.654 8.588 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.656 6.490 9.476 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.049 5.392 8.111 1.00 0.64 N ATOM 0 H ASN A 107 -8.655 4.815 5.705 1.00 0.28 H new ATOM 0 HA ASN A 107 -6.979 6.637 6.998 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.032 3.888 7.688 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.928 4.711 8.771 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.861 5.888 8.478 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.167 4.694 7.376 1.00 0.64 H new ATOM 926 N ILE A 108 -5.567 3.768 6.157 1.00 0.21 N ATOM 927 CA ILE A 108 -4.294 3.094 5.947 1.00 0.17 C ATOM 928 C ILE A 108 -3.348 3.975 5.143 1.00 0.12 C ATOM 929 O ILE A 108 -2.220 4.227 5.553 1.00 0.12 O ATOM 930 CB ILE A 108 -4.507 1.747 5.219 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.681 0.609 6.218 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.380 1.436 4.243 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.048 0.576 6.846 1.00 0.39 C ATOM 0 H ILE A 108 -6.383 3.209 5.907 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.848 2.900 6.922 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.423 1.842 4.636 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.497 -0.340 5.714 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.930 0.704 7.002 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.574 0.480 3.756 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.323 2.222 3.490 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.435 1.383 4.784 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.106 -0.257 7.547 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.227 1.511 7.377 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.802 0.450 6.069 1.00 0.39 H new ATOM 945 N LEU A 109 -3.835 4.455 4.016 1.00 0.12 N ATOM 946 CA LEU A 109 -3.046 5.296 3.134 1.00 0.12 C ATOM 947 C LEU A 109 -2.658 6.613 3.776 1.00 0.13 C ATOM 948 O LEU A 109 -1.481 6.960 3.813 1.00 0.13 O ATOM 949 CB LEU A 109 -3.818 5.567 1.865 1.00 0.15 C ATOM 950 CG LEU A 109 -3.596 4.536 0.779 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.627 4.701 -0.297 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.210 4.688 0.200 1.00 0.17 C ATOM 0 H LEU A 109 -4.783 4.275 3.686 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.125 4.755 2.914 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.881 5.609 2.100 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.537 6.549 1.483 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.690 3.538 1.208 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.462 3.956 -1.076 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.622 4.567 0.128 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.548 5.699 -0.727 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.058 3.943 -0.581 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.101 5.686 -0.225 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.469 4.545 0.987 1.00 0.17 H new ATOM 964 N SER A 110 -3.645 7.343 4.273 1.00 0.16 N ATOM 965 CA SER A 110 -3.395 8.631 4.901 1.00 0.20 C ATOM 966 C SER A 110 -2.401 8.476 6.044 1.00 0.19 C ATOM 967 O SER A 110 -1.558 9.341 6.281 1.00 0.22 O ATOM 968 CB SER A 110 -4.709 9.232 5.400 1.00 0.28 C ATOM 969 OG SER A 110 -5.393 8.339 6.261 1.00 1.18 O ATOM 0 H SER A 110 -4.626 7.065 4.254 1.00 0.16 H new ATOM 0 HA SER A 110 -2.963 9.309 4.165 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.507 10.165 5.927 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.345 9.478 4.549 1.00 0.28 H new ATOM 0 HG SER A 110 -5.828 7.640 5.729 1.00 1.18 H new ATOM 975 N ARG A 111 -2.504 7.352 6.731 1.00 0.18 N ATOM 976 CA ARG A 111 -1.595 7.019 7.810 1.00 0.19 C ATOM 977 C ARG A 111 -0.193 6.687 7.292 1.00 0.16 C ATOM 978 O ARG A 111 0.757 7.406 7.592 1.00 0.17 O ATOM 979 CB ARG A 111 -2.155 5.840 8.604 1.00 0.25 C ATOM 980 CG ARG A 111 -3.314 6.207 9.514 1.00 0.33 C ATOM 981 CD ARG A 111 -3.906 4.973 10.176 1.00 1.22 C ATOM 982 NE ARG A 111 -2.892 4.156 10.844 1.00 1.97 N ATOM 983 CZ ARG A 111 -3.034 3.649 12.065 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.105 3.944 12.792 1.00 3.10 N ATOM 985 NH2 ARG A 111 -2.091 2.855 12.560 1.00 3.73 N ATOM 0 H ARG A 111 -3.219 6.646 6.556 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.505 7.891 8.457 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.483 5.068 7.907 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.356 5.407 9.206 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.972 6.905 10.279 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.085 6.719 8.937 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.658 5.280 10.903 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.416 4.371 9.424 1.00 1.22 H new ATOM 0 HE ARG A 111 -2.025 3.964 10.343 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.823 4.562 12.414 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.210 3.553 13.728 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -1.264 2.637 12.004 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -2.194 2.463 13.496 1.00 3.73 H new ATOM 999 N VAL A 112 -0.070 5.646 6.467 1.00 0.15 N ATOM 1000 CA VAL A 112 1.249 5.159 6.054 1.00 0.14 C ATOM 1001 C VAL A 112 1.982 6.168 5.176 1.00 0.14 C ATOM 1002 O VAL A 112 3.190 6.353 5.322 1.00 0.15 O ATOM 1003 CB VAL A 112 1.200 3.795 5.325 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.601 2.716 6.212 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.437 3.904 4.021 1.00 0.15 C ATOM 0 H VAL A 112 -0.857 5.128 6.075 1.00 0.15 H new ATOM 0 HA VAL A 112 1.798 5.022 6.985 1.00 0.14 H new ATOM 0 HB VAL A 112 2.226 3.507 5.095 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.581 1.770 5.671 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.207 2.607 7.111 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.415 2.997 6.491 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.417 2.932 3.529 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.584 4.229 4.223 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.927 4.630 3.372 1.00 0.15 H new ATOM 1015 N LEU A 113 1.256 6.831 4.280 1.00 0.15 N ATOM 1016 CA LEU A 113 1.852 7.795 3.390 1.00 0.16 C ATOM 1017 C LEU A 113 2.436 8.960 4.181 1.00 0.17 C ATOM 1018 O LEU A 113 3.568 9.377 3.940 1.00 0.20 O ATOM 1019 CB LEU A 113 0.795 8.262 2.386 1.00 0.16 C ATOM 1020 CG LEU A 113 0.866 9.726 1.986 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.104 9.993 1.140 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.396 10.133 1.243 1.00 0.27 C ATOM 0 H LEU A 113 0.250 6.710 4.159 1.00 0.15 H new ATOM 0 HA LEU A 113 2.675 7.338 2.841 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.882 7.654 1.486 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.191 8.067 2.808 1.00 0.16 H new ATOM 0 HG LEU A 113 0.940 10.329 2.891 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.136 11.047 0.864 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.997 9.740 1.712 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.067 9.383 0.238 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.330 11.184 0.963 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.502 9.524 0.345 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.262 9.983 1.887 1.00 0.27 H new ATOM 1034 N SER A 114 1.678 9.458 5.147 1.00 0.17 N ATOM 1035 CA SER A 114 2.122 10.588 5.943 1.00 0.21 C ATOM 1036 C SER A 114 3.252 10.167 6.888 1.00 0.18 C ATOM 1037 O SER A 114 4.181 10.935 7.141 1.00 0.20 O ATOM 1038 CB SER A 114 0.942 11.183 6.716 1.00 0.26 C ATOM 1039 OG SER A 114 1.284 12.428 7.305 1.00 1.06 O ATOM 0 H SER A 114 0.757 9.098 5.396 1.00 0.17 H new ATOM 0 HA SER A 114 2.515 11.358 5.279 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.095 11.317 6.043 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.625 10.486 7.492 1.00 0.26 H new ATOM 0 HG SER A 114 0.510 12.784 7.790 1.00 1.06 H new ATOM 1045 N ARG A 115 3.174 8.942 7.400 1.00 0.15 N ATOM 1046 CA ARG A 115 4.249 8.381 8.198 1.00 0.16 C ATOM 1047 C ARG A 115 5.536 8.280 7.388 1.00 0.15 C ATOM 1048 O ARG A 115 6.617 8.515 7.910 1.00 0.18 O ATOM 1049 CB ARG A 115 3.843 7.011 8.727 1.00 0.20 C ATOM 1050 CG ARG A 115 2.682 7.096 9.688 1.00 0.31 C ATOM 1051 CD ARG A 115 3.078 7.806 10.959 1.00 0.53 C ATOM 1052 NE ARG A 115 1.915 8.345 11.663 1.00 0.89 N ATOM 1053 CZ ARG A 115 1.907 8.704 12.945 1.00 1.21 C ATOM 1054 NH1 ARG A 115 2.966 8.495 13.714 1.00 1.63 N ATOM 1055 NH2 ARG A 115 0.827 9.274 13.458 1.00 1.62 N ATOM 0 H ARG A 115 2.374 8.321 7.274 1.00 0.15 H new ATOM 0 HA ARG A 115 4.436 9.046 9.041 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.575 6.365 7.891 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.694 6.549 9.227 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.854 7.624 9.216 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.327 6.093 9.924 1.00 0.31 H new ATOM 0 HD2 ARG A 115 3.610 7.114 11.612 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.768 8.616 10.723 1.00 0.53 H new ATOM 0 HE ARG A 115 1.049 8.454 11.135 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.800 8.055 13.325 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.947 8.775 14.695 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.008 9.435 12.872 1.00 1.62 H new ATOM 0 HH22 ARG A 115 0.814 9.551 14.439 1.00 1.62 H new ATOM 1069 N ALA A 116 5.413 7.931 6.114 1.00 0.15 N ATOM 1070 CA ALA A 116 6.570 7.854 5.229 1.00 0.18 C ATOM 1071 C ALA A 116 7.086 9.248 4.874 1.00 0.21 C ATOM 1072 O ALA A 116 8.290 9.456 4.731 1.00 0.25 O ATOM 1073 CB ALA A 116 6.227 7.074 3.977 1.00 0.20 C ATOM 0 H ALA A 116 4.525 7.697 5.670 1.00 0.15 H new ATOM 0 HA ALA A 116 7.366 7.329 5.757 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.101 7.026 3.327 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.922 6.064 4.250 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.411 7.570 3.451 1.00 0.20 H new ATOM 1079 N ARG A 117 6.160 10.190 4.707 1.00 0.23 N ATOM 1080 CA ARG A 117 6.503 11.605 4.550 1.00 0.28 C ATOM 1081 C ARG A 117 7.389 12.064 5.706 1.00 0.29 C ATOM 1082 O ARG A 117 8.407 12.732 5.514 1.00 0.39 O ATOM 1083 CB ARG A 117 5.237 12.467 4.550 1.00 0.38 C ATOM 1084 CG ARG A 117 4.365 12.329 3.319 1.00 1.06 C ATOM 1085 CD ARG A 117 5.009 12.983 2.115 1.00 1.15 C ATOM 1086 NE ARG A 117 4.077 13.119 1.001 1.00 1.75 N ATOM 1087 CZ ARG A 117 4.407 13.622 -0.185 1.00 2.25 C ATOM 1088 NH1 ARG A 117 5.657 14.010 -0.422 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.482 13.741 -1.125 1.00 2.99 N ATOM 0 H ARG A 117 5.159 9.998 4.677 1.00 0.23 H new ATOM 0 HA ARG A 117 7.030 11.718 3.603 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.643 12.212 5.427 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.528 13.512 4.655 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.189 11.274 3.112 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.392 12.784 3.506 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.385 13.967 2.395 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.868 12.392 1.798 1.00 1.15 H new ATOM 0 HE ARG A 117 3.115 12.810 1.140 1.00 1.75 H new ATOM 0 HH11 ARG A 117 6.365 13.922 0.307 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.907 14.395 -1.333 1.00 2.33 H new ATOM 0 HH21 ARG A 117 2.523 13.448 -0.937 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.728 14.126 -2.037 1.00 2.99 H new ATOM 1103 N SER A 118 6.964 11.701 6.908 1.00 0.28 N ATOM 1104 CA SER A 118 7.637 12.088 8.137 1.00 0.33 C ATOM 1105 C SER A 118 8.923 11.298 8.319 1.00 0.32 C ATOM 1106 O SER A 118 9.988 11.844 8.623 1.00 0.41 O ATOM 1107 CB SER A 118 6.693 11.814 9.307 1.00 0.38 C ATOM 1108 OG SER A 118 7.094 12.486 10.492 1.00 0.62 O ATOM 0 H SER A 118 6.136 11.125 7.057 1.00 0.28 H new ATOM 0 HA SER A 118 7.894 13.146 8.093 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.684 12.127 9.038 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.654 10.741 9.496 1.00 0.38 H new ATOM 0 HG SER A 118 6.462 12.284 11.213 1.00 0.62 H new ATOM 1114 N ARG A 119 8.794 10.004 8.132 1.00 0.26 N ATOM 1115 CA ARG A 119 9.874 9.062 8.364 1.00 0.28 C ATOM 1116 C ARG A 119 10.200 8.260 7.104 1.00 0.26 C ATOM 1117 O ARG A 119 9.769 7.116 6.952 1.00 0.25 O ATOM 1118 CB ARG A 119 9.486 8.122 9.507 1.00 0.33 C ATOM 1119 CG ARG A 119 9.293 8.845 10.827 1.00 0.47 C ATOM 1120 CD ARG A 119 10.608 9.408 11.332 1.00 1.28 C ATOM 1121 NE ARG A 119 10.419 10.431 12.358 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.881 10.327 13.601 1.00 2.39 C ATOM 1123 NH1 ARG A 119 11.457 9.204 14.007 1.00 3.26 N ATOM 1124 NH2 ARG A 119 10.749 11.340 14.445 1.00 2.60 N ATOM 0 H ARG A 119 7.929 9.568 7.811 1.00 0.26 H new ATOM 0 HA ARG A 119 10.769 9.622 8.634 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.565 7.601 9.246 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.259 7.362 9.624 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.571 9.652 10.702 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.879 8.158 11.565 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.215 8.598 11.738 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.163 9.834 10.496 1.00 1.28 H new ATOM 0 HE ARG A 119 9.903 11.274 12.106 1.00 1.54 H new ATOM 0 HH11 ARG A 119 11.547 8.416 13.365 1.00 3.26 H new ATOM 0 HH12 ARG A 119 11.810 9.128 14.961 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.293 12.200 14.142 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.104 11.259 15.398 1.00 2.60 H new ATOM 1138 N PRO A 120 10.978 8.858 6.190 1.00 0.29 N ATOM 1139 CA PRO A 120 11.454 8.192 4.972 1.00 0.30 C ATOM 1140 C PRO A 120 12.296 6.966 5.292 1.00 0.27 C ATOM 1141 O PRO A 120 12.399 6.034 4.493 1.00 0.28 O ATOM 1142 CB PRO A 120 12.325 9.260 4.303 1.00 0.37 C ATOM 1143 CG PRO A 120 12.669 10.203 5.395 1.00 0.38 C ATOM 1144 CD PRO A 120 11.457 10.240 6.265 1.00 0.35 C ATOM 0 HA PRO A 120 10.632 7.837 4.350 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.220 8.822 3.862 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.787 9.763 3.500 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.544 9.863 5.950 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.905 11.192 5.003 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.699 10.532 7.287 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.714 10.949 5.898 1.00 0.35 H new ATOM 1152 N ALA A 121 12.896 6.979 6.472 1.00 0.25 N ATOM 1153 CA ALA A 121 13.742 5.888 6.927 1.00 0.28 C ATOM 1154 C ALA A 121 12.946 4.601 7.140 1.00 0.27 C ATOM 1155 O ALA A 121 13.508 3.505 7.135 1.00 0.35 O ATOM 1156 CB ALA A 121 14.443 6.292 8.208 1.00 0.33 C ATOM 0 H ALA A 121 12.810 7.745 7.140 1.00 0.25 H new ATOM 0 HA ALA A 121 14.481 5.686 6.152 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.077 5.474 8.549 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.056 7.174 8.025 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.701 6.519 8.973 1.00 0.33 H new ATOM 1162 N LYS A 122 11.639 4.735 7.343 1.00 0.22 N ATOM 1163 CA LYS A 122 10.774 3.578 7.523 1.00 0.27 C ATOM 1164 C LYS A 122 9.686 3.541 6.460 1.00 0.19 C ATOM 1165 O LYS A 122 8.709 2.802 6.586 1.00 0.18 O ATOM 1166 CB LYS A 122 10.160 3.587 8.920 1.00 0.39 C ATOM 1167 CG LYS A 122 11.164 3.251 10.008 1.00 0.49 C ATOM 1168 CD LYS A 122 10.981 1.831 10.523 1.00 0.66 C ATOM 1169 CE LYS A 122 12.037 1.484 11.560 1.00 1.28 C ATOM 1170 NZ LYS A 122 11.835 0.132 12.144 1.00 1.79 N ATOM 0 H LYS A 122 11.158 5.633 7.387 1.00 0.22 H new ATOM 0 HA LYS A 122 11.380 2.679 7.415 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.733 4.570 9.118 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.340 2.870 8.956 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.175 3.370 9.619 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.055 3.954 10.833 1.00 0.49 H new ATOM 0 HD2 LYS A 122 9.988 1.725 10.961 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.039 1.129 9.691 1.00 0.66 H new ATOM 0 HE2 LYS A 122 13.024 1.534 11.100 1.00 1.28 H new ATOM 0 HE3 LYS A 122 12.018 2.228 12.357 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.751 -0.255 12.449 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 11.198 0.199 12.963 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.415 -0.496 11.429 1.00 1.79 H new ATOM 1184 N LEU A 123 9.880 4.341 5.410 1.00 0.17 N ATOM 1185 CA LEU A 123 9.008 4.355 4.249 1.00 0.14 C ATOM 1186 C LEU A 123 8.679 2.942 3.782 1.00 0.12 C ATOM 1187 O LEU A 123 7.533 2.643 3.455 1.00 0.12 O ATOM 1188 CB LEU A 123 9.703 5.120 3.131 1.00 0.16 C ATOM 1189 CG LEU A 123 9.185 4.859 1.727 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.880 5.589 1.489 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.232 5.275 0.724 1.00 0.21 C ATOM 0 H LEU A 123 10.655 5.001 5.347 1.00 0.17 H new ATOM 0 HA LEU A 123 8.069 4.840 4.518 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.615 6.187 3.338 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.765 4.877 3.157 1.00 0.16 H new ATOM 0 HG LEU A 123 8.987 3.794 1.610 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.529 5.387 0.477 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.135 5.246 2.207 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.035 6.661 1.612 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.864 5.089 -0.285 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.447 6.337 0.842 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.143 4.700 0.889 1.00 0.21 H new ATOM 1203 N TYR A 124 9.683 2.068 3.781 1.00 0.13 N ATOM 1204 CA TYR A 124 9.501 0.703 3.306 1.00 0.13 C ATOM 1205 C TYR A 124 8.490 -0.030 4.154 1.00 0.13 C ATOM 1206 O TYR A 124 7.640 -0.708 3.621 1.00 0.14 O ATOM 1207 CB TYR A 124 10.811 -0.070 3.293 1.00 0.14 C ATOM 1208 CG TYR A 124 11.743 0.310 2.180 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.646 -0.311 0.950 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.731 1.267 2.360 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.502 -0.001 -0.069 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.598 1.591 1.335 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.482 0.952 0.119 1.00 0.24 C ATOM 1214 OH TYR A 124 14.348 1.255 -0.903 1.00 0.31 O ATOM 0 H TYR A 124 10.627 2.282 4.103 1.00 0.13 H new ATOM 0 HA TYR A 124 9.133 0.769 2.282 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.319 0.084 4.245 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.590 -1.135 3.218 1.00 0.14 H new ATOM 0 HD1 TYR A 124 10.880 -1.055 0.791 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.823 1.765 3.314 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.412 -0.502 -1.022 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.362 2.340 1.485 1.00 0.26 H new ATOM 0 HH TYR A 124 14.648 2.184 -0.813 1.00 0.31 H new ATOM 1224 N VAL A 125 8.574 0.107 5.469 1.00 0.13 N ATOM 1225 CA VAL A 125 7.591 -0.518 6.350 1.00 0.14 C ATOM 1226 C VAL A 125 6.176 -0.137 5.939 1.00 0.12 C ATOM 1227 O VAL A 125 5.291 -0.984 5.878 1.00 0.14 O ATOM 1228 CB VAL A 125 7.823 -0.132 7.818 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.704 -0.666 8.704 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.178 -0.644 8.269 1.00 0.23 C ATOM 0 H VAL A 125 9.302 0.638 5.948 1.00 0.13 H new ATOM 0 HA VAL A 125 7.714 -1.597 6.254 1.00 0.14 H new ATOM 0 HB VAL A 125 7.814 0.954 7.907 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.891 -0.380 9.739 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.751 -0.248 8.378 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.668 -1.753 8.629 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.342 -0.370 9.311 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.208 -1.729 8.170 1.00 0.23 H new ATOM 0 HG23 VAL A 125 9.959 -0.202 7.650 1.00 0.23 H new ATOM 1240 N TYR A 126 5.989 1.127 5.611 1.00 0.11 N ATOM 1241 CA TYR A 126 4.692 1.626 5.197 1.00 0.11 C ATOM 1242 C TYR A 126 4.358 1.112 3.796 1.00 0.10 C ATOM 1243 O TYR A 126 3.199 0.875 3.470 1.00 0.11 O ATOM 1244 CB TYR A 126 4.706 3.153 5.272 1.00 0.12 C ATOM 1245 CG TYR A 126 5.208 3.652 6.613 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.685 3.143 7.796 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.218 4.604 6.701 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.148 3.568 9.024 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.688 5.032 7.930 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.150 4.511 9.087 1.00 0.20 C ATOM 1251 OH TYR A 126 6.613 4.934 10.315 1.00 0.25 O ATOM 0 H TYR A 126 6.726 1.832 5.624 1.00 0.11 H new ATOM 0 HA TYR A 126 3.909 1.262 5.862 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.339 3.549 4.478 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.700 3.534 5.097 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.902 2.401 7.753 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.642 5.015 5.797 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.727 3.163 9.932 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.473 5.771 7.982 1.00 0.20 H new ATOM 0 HH TYR A 126 7.320 5.600 10.186 1.00 0.25 H new ATOM 1261 N ILE A 127 5.396 0.925 2.989 1.00 0.11 N ATOM 1262 CA ILE A 127 5.276 0.248 1.697 1.00 0.11 C ATOM 1263 C ILE A 127 4.821 -1.198 1.897 1.00 0.11 C ATOM 1264 O ILE A 127 3.847 -1.651 1.298 1.00 0.11 O ATOM 1265 CB ILE A 127 6.638 0.250 0.955 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.020 1.672 0.550 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.602 -0.659 -0.258 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.478 1.838 0.186 1.00 0.11 C ATOM 0 H ILE A 127 6.342 1.236 3.208 1.00 0.11 H new ATOM 0 HA ILE A 127 4.538 0.785 1.101 1.00 0.11 H new ATOM 0 HB ILE A 127 7.396 -0.134 1.638 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.408 1.973 -0.300 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.782 2.349 1.371 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.570 -0.637 -0.758 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.379 -1.678 0.058 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.830 -0.316 -0.947 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.668 2.875 -0.090 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.099 1.570 1.041 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.719 1.189 -0.656 1.00 0.11 H new ATOM 1280 N ASN A 128 5.544 -1.898 2.762 1.00 0.12 N ATOM 1281 CA ASN A 128 5.292 -3.291 3.074 1.00 0.14 C ATOM 1282 C ASN A 128 3.895 -3.468 3.638 1.00 0.14 C ATOM 1283 O ASN A 128 3.154 -4.368 3.226 1.00 0.16 O ATOM 1284 CB ASN A 128 6.323 -3.787 4.093 1.00 0.20 C ATOM 1285 CG ASN A 128 7.733 -3.924 3.530 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.492 -4.787 3.944 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.112 -3.066 2.600 1.00 0.26 N ATOM 0 H ASN A 128 6.334 -1.503 3.273 1.00 0.12 H new ATOM 0 HA ASN A 128 5.375 -3.873 2.156 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.345 -3.098 4.937 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.001 -4.754 4.479 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.055 -3.116 2.213 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.462 -2.353 2.268 1.00 0.26 H new ATOM 1294 N GLU A 129 3.544 -2.600 4.583 1.00 0.13 N ATOM 1295 CA GLU A 129 2.210 -2.595 5.157 1.00 0.16 C ATOM 1296 C GLU A 129 1.179 -2.436 4.075 1.00 0.15 C ATOM 1297 O GLU A 129 0.371 -3.318 3.855 1.00 0.17 O ATOM 1298 CB GLU A 129 2.045 -1.460 6.161 1.00 0.23 C ATOM 1299 CG GLU A 129 2.722 -1.729 7.481 1.00 0.29 C ATOM 1300 CD GLU A 129 2.325 -0.739 8.554 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.117 -0.636 8.848 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.217 -0.090 9.134 1.00 1.03 O ATOM 0 H GLU A 129 4.170 -1.891 4.965 1.00 0.13 H new ATOM 0 HA GLU A 129 2.070 -3.547 5.670 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.450 -0.543 5.733 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.983 -1.288 6.334 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.474 -2.737 7.813 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.803 -1.696 7.344 1.00 0.29 H new ATOM 1309 N LEU A 130 1.262 -1.317 3.380 1.00 0.14 N ATOM 1310 CA LEU A 130 0.331 -0.969 2.323 1.00 0.15 C ATOM 1311 C LEU A 130 0.148 -2.118 1.324 1.00 0.15 C ATOM 1312 O LEU A 130 -0.976 -2.462 0.968 1.00 0.18 O ATOM 1313 CB LEU A 130 0.870 0.272 1.626 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.113 1.042 0.763 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.417 1.269 1.512 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.519 2.365 0.376 1.00 0.12 C ATOM 0 H LEU A 130 1.986 -0.616 3.535 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.653 -0.774 2.750 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.260 0.949 2.386 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.713 -0.026 1.002 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.344 0.469 -0.135 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.109 1.822 0.878 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.857 0.307 1.777 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.221 1.840 2.419 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.175 2.932 -0.245 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.749 2.935 1.276 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.437 2.180 -0.181 1.00 0.12 H new ATOM 1328 N CYS A 131 1.252 -2.728 0.906 1.00 0.14 N ATOM 1329 CA CYS A 131 1.205 -3.827 -0.056 1.00 0.17 C ATOM 1330 C CYS A 131 0.471 -5.042 0.525 1.00 0.18 C ATOM 1331 O CYS A 131 -0.325 -5.693 -0.161 1.00 0.21 O ATOM 1332 CB CYS A 131 2.627 -4.218 -0.477 1.00 0.20 C ATOM 1333 SG CYS A 131 2.706 -5.423 -1.823 1.00 0.53 S ATOM 0 H CYS A 131 2.191 -2.481 1.217 1.00 0.14 H new ATOM 0 HA CYS A 131 0.653 -3.488 -0.932 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.163 -3.318 -0.780 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.150 -4.624 0.389 1.00 0.20 H new ATOM 0 HG CYS A 131 3.949 -5.682 -2.101 1.00 0.53 H new ATOM 1339 N THR A 132 0.727 -5.340 1.793 1.00 0.19 N ATOM 1340 CA THR A 132 0.071 -6.460 2.457 1.00 0.23 C ATOM 1341 C THR A 132 -1.370 -6.102 2.789 1.00 0.21 C ATOM 1342 O THR A 132 -2.278 -6.916 2.648 1.00 0.22 O ATOM 1343 CB THR A 132 0.798 -6.856 3.751 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.180 -7.127 3.476 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.146 -8.082 4.369 1.00 0.36 C ATOM 0 H THR A 132 1.382 -4.824 2.381 1.00 0.19 H new ATOM 0 HA THR A 132 0.098 -7.306 1.770 1.00 0.23 H new ATOM 0 HB THR A 132 0.730 -6.027 4.456 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.662 -6.282 3.361 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.672 -8.351 5.285 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.896 -7.862 4.600 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.194 -8.913 3.666 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.553 -4.861 3.210 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.854 -4.298 3.531 1.00 0.17 C ATOM 1355 C VAL A 133 -3.828 -4.522 2.383 1.00 0.18 C ATOM 1356 O VAL A 133 -5.007 -4.823 2.594 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.698 -2.784 3.819 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.992 -2.027 3.600 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.186 -2.557 5.238 1.00 0.18 C ATOM 0 H VAL A 133 -0.785 -4.203 3.341 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.253 -4.794 4.416 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.966 -2.395 3.110 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.836 -0.970 3.814 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.312 -2.145 2.565 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.761 -2.421 4.264 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.083 -1.487 5.421 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.892 -2.981 5.952 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.216 -3.040 5.357 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.306 -4.402 1.176 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.081 -4.630 -0.024 1.00 0.20 C ATOM 1371 C LEU A 134 -4.625 -6.057 -0.073 1.00 0.23 C ATOM 1372 O LEU A 134 -5.819 -6.252 -0.228 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.218 -4.332 -1.251 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.732 -2.886 -1.333 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.794 -2.674 -2.505 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.913 -1.949 -1.431 1.00 0.20 C ATOM 0 H LEU A 134 -2.334 -4.144 1.003 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.940 -3.959 -0.018 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.353 -4.995 -1.244 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.790 -4.564 -2.150 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.173 -2.670 -0.422 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.471 -1.633 -2.529 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.924 -3.322 -2.397 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.312 -2.914 -3.434 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.557 -0.920 -1.489 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.491 -2.184 -2.325 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.544 -2.066 -0.550 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.764 -7.052 0.089 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.199 -8.439 -0.034 1.00 0.29 C ATOM 1390 C LYS A 135 -4.867 -8.967 1.227 1.00 0.30 C ATOM 1391 O LYS A 135 -5.711 -9.859 1.157 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.045 -9.343 -0.434 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.954 -9.539 -1.933 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.290 -9.999 -2.511 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.177 -10.320 -3.989 1.00 0.91 C ATOM 1396 NZ LYS A 135 -3.321 -11.511 -4.239 1.00 1.59 N ATOM 0 H LYS A 135 -2.774 -6.930 0.303 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.951 -8.450 -0.823 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.111 -8.917 -0.069 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.163 -10.313 0.049 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.652 -8.605 -2.407 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.183 -10.276 -2.160 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.636 -10.881 -1.972 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.039 -9.221 -2.363 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.172 -10.497 -4.398 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.764 -9.460 -4.516 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -3.457 -11.837 -5.217 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -2.323 -11.258 -4.095 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -3.584 -12.272 -3.580 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.471 -8.436 2.372 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.015 -8.879 3.650 1.00 0.30 C ATOM 1412 C ALA A 136 -6.527 -8.707 3.697 1.00 0.31 C ATOM 1413 O ALA A 136 -7.242 -9.566 4.208 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.371 -8.116 4.801 1.00 0.33 C ATOM 0 H ALA A 136 -3.773 -7.696 2.445 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.787 -9.940 3.754 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.790 -8.461 5.746 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.295 -8.290 4.796 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.566 -7.050 4.685 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.012 -7.595 3.163 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.419 -7.271 3.274 1.00 0.35 C ATOM 1422 C HIS A 137 -9.120 -7.288 1.924 1.00 0.35 C ATOM 1423 O HIS A 137 -10.348 -7.285 1.854 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.582 -5.914 3.941 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.806 -5.787 5.214 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.158 -6.431 6.380 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.653 -5.131 5.483 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.253 -6.183 7.306 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.333 -5.397 6.788 1.00 0.49 N ATOM 0 H HIS A 137 -6.454 -6.910 2.653 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.890 -8.039 3.888 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.262 -5.135 3.249 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.638 -5.742 4.148 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.091 -4.514 4.798 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.265 -6.561 8.318 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.513 -5.043 7.280 1.00 0.49 H new ATOM 1438 N SER A 138 -8.346 -7.325 0.859 1.00 0.31 N ATOM 1439 CA SER A 138 -8.906 -7.334 -0.478 1.00 0.33 C ATOM 1440 C SER A 138 -8.346 -8.501 -1.277 1.00 0.55 C ATOM 1441 O SER A 138 -7.136 -8.708 -1.317 1.00 1.05 O ATOM 1442 CB SER A 138 -8.577 -6.039 -1.201 1.00 0.38 C ATOM 1443 OG SER A 138 -8.179 -5.036 -0.297 1.00 1.00 O ATOM 0 H SER A 138 -7.327 -7.349 0.893 1.00 0.31 H new ATOM 0 HA SER A 138 -9.988 -7.436 -0.390 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.781 -6.216 -1.925 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.449 -5.701 -1.762 1.00 0.38 H new ATOM 0 HG SER A 138 -7.244 -5.180 -0.040 1.00 1.00 H new ATOM 1624 N SER B 27 5.058 -11.225 3.503 1.00 0.55 N ATOM 1625 CA SER B 27 4.244 -10.048 3.714 1.00 0.54 C ATOM 1626 C SER B 27 5.073 -8.799 3.469 1.00 0.44 C ATOM 1627 O SER B 27 5.031 -8.200 2.397 1.00 0.53 O ATOM 1628 CB SER B 27 3.674 -10.069 5.130 1.00 0.75 C ATOM 1629 OG SER B 27 2.900 -8.916 5.406 1.00 1.37 O ATOM 0 HA SER B 27 3.411 -10.042 3.011 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.058 -10.959 5.260 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.490 -10.138 5.849 1.00 0.75 H new ATOM 0 HG SER B 27 2.771 -8.404 4.581 1.00 1.37 H new ATOM 1635 N ASP B 28 5.839 -8.434 4.469 1.00 0.43 N ATOM 1636 CA ASP B 28 6.789 -7.342 4.355 1.00 0.37 C ATOM 1637 C ASP B 28 7.975 -7.832 3.547 1.00 0.33 C ATOM 1638 O ASP B 28 8.499 -7.138 2.676 1.00 0.31 O ATOM 1639 CB ASP B 28 7.277 -6.884 5.742 1.00 0.44 C ATOM 1640 CG ASP B 28 6.160 -6.684 6.745 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.684 -7.677 7.327 1.00 1.07 O ATOM 1642 OD2 ASP B 28 5.726 -5.524 6.929 1.00 1.83 O ATOM 0 H ASP B 28 5.825 -8.882 5.385 1.00 0.43 H new ATOM 0 HA ASP B 28 6.305 -6.495 3.869 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.977 -7.622 6.133 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.827 -5.949 5.633 1.00 0.44 H new ATOM 1647 N SER B 29 8.355 -9.074 3.810 1.00 0.36 N ATOM 1648 CA SER B 29 9.531 -9.671 3.206 1.00 0.34 C ATOM 1649 C SER B 29 9.423 -9.750 1.690 1.00 0.33 C ATOM 1650 O SER B 29 10.425 -9.909 1.003 1.00 0.34 O ATOM 1651 CB SER B 29 9.768 -11.046 3.806 1.00 0.39 C ATOM 1652 OG SER B 29 8.582 -11.823 3.808 1.00 1.07 O ATOM 0 H SER B 29 7.855 -9.693 4.448 1.00 0.36 H new ATOM 0 HA SER B 29 10.385 -9.029 3.423 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.542 -11.563 3.239 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.137 -10.940 4.826 1.00 0.39 H new ATOM 0 HG SER B 29 8.768 -12.702 4.199 1.00 1.07 H new ATOM 1658 N GLU B 30 8.209 -9.616 1.185 1.00 0.35 N ATOM 1659 CA GLU B 30 7.962 -9.574 -0.253 1.00 0.37 C ATOM 1660 C GLU B 30 8.681 -8.377 -0.881 1.00 0.34 C ATOM 1661 O GLU B 30 9.132 -8.423 -2.025 1.00 0.39 O ATOM 1662 CB GLU B 30 6.464 -9.494 -0.505 1.00 0.45 C ATOM 1663 CG GLU B 30 6.088 -9.586 -1.962 1.00 0.68 C ATOM 1664 CD GLU B 30 4.612 -9.836 -2.171 1.00 1.37 C ATOM 1665 OE1 GLU B 30 3.814 -8.894 -1.990 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.242 -10.978 -2.526 1.00 1.57 O ATOM 0 H GLU B 30 7.367 -9.533 1.755 1.00 0.35 H new ATOM 0 HA GLU B 30 8.352 -10.482 -0.714 1.00 0.37 H new ATOM 0 HB2 GLU B 30 5.970 -10.298 0.040 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.086 -8.555 -0.100 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.370 -8.661 -2.464 1.00 0.68 H new ATOM 0 HG3 GLU B 30 6.658 -10.389 -2.430 1.00 0.68 H new ATOM 1673 N LEU B 31 8.778 -7.310 -0.108 1.00 0.28 N ATOM 1674 CA LEU B 31 9.536 -6.134 -0.474 1.00 0.24 C ATOM 1675 C LEU B 31 10.997 -6.377 -0.178 1.00 0.25 C ATOM 1676 O LEU B 31 11.888 -6.109 -0.985 1.00 0.26 O ATOM 1677 CB LEU B 31 9.094 -4.960 0.369 1.00 0.20 C ATOM 1678 CG LEU B 31 7.691 -4.402 0.132 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.590 -3.714 -1.205 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.639 -5.476 0.266 1.00 0.24 C ATOM 0 H LEU B 31 8.325 -7.238 0.803 1.00 0.28 H new ATOM 0 HA LEU B 31 9.378 -5.927 -1.532 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.165 -5.254 1.416 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.807 -4.150 0.216 1.00 0.20 H new ATOM 0 HG LEU B 31 7.506 -3.657 0.905 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.579 -3.329 -1.341 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.301 -2.889 -1.244 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.817 -4.426 -1.999 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.654 -5.044 0.091 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.826 -6.262 -0.466 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.677 -5.899 1.270 1.00 0.24 H new ATOM 1692 N GLU B 32 11.203 -6.889 1.021 1.00 0.26 N ATOM 1693 CA GLU B 32 12.530 -7.158 1.572 1.00 0.29 C ATOM 1694 C GLU B 32 13.355 -8.084 0.685 1.00 0.33 C ATOM 1695 O GLU B 32 14.565 -8.209 0.865 1.00 0.38 O ATOM 1696 CB GLU B 32 12.407 -7.774 2.960 1.00 0.29 C ATOM 1697 CG GLU B 32 11.415 -7.069 3.872 1.00 0.26 C ATOM 1698 CD GLU B 32 11.552 -7.517 5.312 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.640 -7.325 5.892 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.588 -8.087 5.865 1.00 0.59 O ATOM 0 H GLU B 32 10.443 -7.136 1.655 1.00 0.26 H new ATOM 0 HA GLU B 32 13.048 -6.200 1.627 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.109 -8.817 2.857 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.388 -7.768 3.436 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.569 -5.992 3.811 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.400 -7.266 3.526 1.00 0.26 H new ATOM 1707 N GLN B 33 12.683 -8.737 -0.251 1.00 0.35 N ATOM 1708 CA GLN B 33 13.332 -9.603 -1.233 1.00 0.40 C ATOM 1709 C GLN B 33 14.508 -8.897 -1.876 1.00 0.39 C ATOM 1710 O GLN B 33 15.606 -9.447 -1.985 1.00 0.48 O ATOM 1711 CB GLN B 33 12.351 -9.985 -2.335 1.00 0.43 C ATOM 1712 CG GLN B 33 11.106 -10.672 -1.847 1.00 0.47 C ATOM 1713 CD GLN B 33 11.357 -12.065 -1.320 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.333 -13.037 -2.074 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.569 -12.177 -0.026 1.00 0.57 N ATOM 0 H GLN B 33 11.670 -8.683 -0.354 1.00 0.35 H new ATOM 0 HA GLN B 33 13.676 -10.494 -0.708 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.065 -9.084 -2.879 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.858 -10.639 -3.045 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.653 -10.070 -1.060 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.385 -10.725 -2.663 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.581 -11.344 0.563 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.722 -13.097 0.388 1.00 0.57 H new ATOM 1724 N TYR B 34 14.263 -7.671 -2.297 1.00 0.32 N ATOM 1725 CA TYR B 34 15.248 -6.917 -3.039 1.00 0.32 C ATOM 1726 C TYR B 34 15.562 -5.569 -2.404 1.00 0.30 C ATOM 1727 O TYR B 34 16.640 -5.019 -2.630 1.00 0.37 O ATOM 1728 CB TYR B 34 14.783 -6.708 -4.482 1.00 0.32 C ATOM 1729 CG TYR B 34 13.278 -6.762 -4.691 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.394 -6.104 -3.840 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.745 -7.458 -5.766 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.038 -6.143 -4.047 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.384 -7.504 -5.980 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.533 -6.845 -5.122 1.00 0.34 C ATOM 1735 OH TYR B 34 9.178 -6.885 -5.350 1.00 0.40 O ATOM 0 H TYR B 34 13.386 -7.177 -2.136 1.00 0.32 H new ATOM 0 HA TYR B 34 16.165 -7.506 -3.024 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.147 -5.741 -4.828 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.249 -7.467 -5.111 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.784 -5.551 -2.998 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.407 -7.972 -6.447 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.370 -5.627 -3.373 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.986 -8.056 -6.819 1.00 0.42 H new ATOM 0 HH TYR B 34 8.705 -6.521 -4.573 1.00 0.40 H new ATOM 1745 N PHE B 35 14.648 -5.025 -1.608 1.00 0.27 N ATOM 1746 CA PHE B 35 14.850 -3.680 -1.095 1.00 0.26 C ATOM 1747 C PHE B 35 14.244 -3.476 0.289 1.00 0.25 C ATOM 1748 O PHE B 35 13.238 -4.082 0.625 1.00 0.25 O ATOM 1749 CB PHE B 35 14.301 -2.638 -2.086 1.00 0.25 C ATOM 1750 CG PHE B 35 12.857 -2.786 -2.473 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.852 -2.733 -1.532 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.512 -2.954 -3.804 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.535 -2.848 -1.898 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.191 -3.074 -4.180 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.198 -3.023 -3.224 1.00 0.18 C ATOM 0 H PHE B 35 13.785 -5.481 -1.312 1.00 0.27 H new ATOM 0 HA PHE B 35 15.926 -3.542 -0.988 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.440 -1.647 -1.653 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.904 -2.677 -2.993 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.105 -2.599 -0.491 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.287 -2.991 -4.556 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.761 -2.801 -1.147 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.934 -3.208 -5.221 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.162 -3.120 -3.512 1.00 0.18 H new ATOM 1765 N THR B 36 14.906 -2.630 1.081 1.00 0.27 N ATOM 1766 CA THR B 36 14.411 -2.161 2.380 1.00 0.27 C ATOM 1767 C THR B 36 15.329 -1.066 2.926 1.00 0.32 C ATOM 1768 O THR B 36 16.187 -0.558 2.203 1.00 0.45 O ATOM 1769 CB THR B 36 14.268 -3.289 3.429 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.203 -4.345 3.175 1.00 0.31 O ATOM 1771 CG2 THR B 36 12.854 -3.827 3.429 1.00 0.27 C ATOM 0 H THR B 36 15.817 -2.244 0.835 1.00 0.27 H new ATOM 0 HA THR B 36 13.410 -1.767 2.203 1.00 0.27 H new ATOM 0 HB THR B 36 14.486 -2.871 4.412 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.096 -5.046 3.851 1.00 0.31 H new ATOM 0 HG21 THR B 36 12.767 -4.620 4.171 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.159 -3.023 3.673 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.616 -4.225 2.443 1.00 0.27 H new ATOM 1779 N ALA B 37 15.140 -0.698 4.188 1.00 0.32 N ATOM 1780 CA ALA B 37 15.927 0.364 4.814 1.00 0.35 C ATOM 1781 C ALA B 37 16.605 -0.160 6.072 1.00 0.43 C ATOM 1782 O ALA B 37 16.777 -1.368 6.225 1.00 0.53 O ATOM 1783 CB ALA B 37 15.038 1.552 5.156 1.00 0.29 C ATOM 0 H ALA B 37 14.445 -1.121 4.803 1.00 0.32 H new ATOM 0 HA ALA B 37 16.692 0.692 4.110 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.638 2.334 5.621 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.581 1.939 4.245 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.257 1.235 5.847 1.00 0.29 H new ATOM 1789 N ARG B 38 16.971 0.747 6.979 1.00 0.44 N ATOM 1790 CA ARG B 38 17.634 0.365 8.223 1.00 0.52 C ATOM 1791 C ARG B 38 16.730 -0.538 9.063 1.00 0.56 C ATOM 1792 O ARG B 38 17.175 -1.560 9.583 1.00 0.67 O ATOM 1793 CB ARG B 38 18.053 1.611 9.027 1.00 0.57 C ATOM 1794 CG ARG B 38 16.913 2.315 9.746 1.00 0.67 C ATOM 1795 CD ARG B 38 16.584 3.650 9.125 1.00 0.93 C ATOM 1796 NE ARG B 38 17.617 4.649 9.387 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.480 5.661 10.246 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.375 5.776 10.977 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.460 6.540 10.396 1.00 2.94 N ATOM 0 H ARG B 38 16.819 1.750 6.874 1.00 0.44 H new ATOM 0 HA ARG B 38 18.534 -0.194 7.968 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.802 1.317 9.762 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.531 2.320 8.351 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.027 1.680 9.728 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.180 2.459 10.793 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.463 3.528 8.049 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.630 4.005 9.515 1.00 0.93 H new ATOM 0 HE ARG B 38 18.499 4.568 8.881 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.627 5.089 10.883 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.275 6.551 11.632 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.319 6.443 9.855 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.355 7.314 11.053 1.00 2.94 H new ATOM 1813 N TRP B 39 15.453 -0.164 9.141 1.00 0.54 N ATOM 1814 CA TRP B 39 14.443 -0.902 9.892 1.00 0.64 C ATOM 1815 C TRP B 39 14.859 -1.184 11.333 1.00 0.85 C ATOM 1816 O TRP B 39 15.375 -2.285 11.613 1.00 1.41 O ATOM 1817 CB TRP B 39 14.088 -2.182 9.146 1.00 0.60 C ATOM 1818 CG TRP B 39 13.308 -1.890 7.919 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.530 -0.885 7.039 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.172 -2.595 7.450 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.589 -0.909 6.046 1.00 0.23 N ATOM 1822 CE2 TRP B 39 11.745 -1.961 6.276 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.473 -3.701 7.913 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.646 -2.404 5.556 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.387 -4.133 7.195 1.00 0.33 C ATOM 1826 CH2 TRP B 39 9.982 -3.487 6.032 1.00 0.25 C ATOM 1827 OXT TRP B 39 14.645 -0.297 12.181 1.00 1.45 O ATOM 0 H TRP B 39 15.089 0.669 8.679 1.00 0.54 H new ATOM 0 HA TRP B 39 13.556 -0.273 9.965 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.000 -2.716 8.881 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.512 -2.838 9.798 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.334 -0.168 7.111 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.527 -0.254 5.267 1.00 0.23 H new ATOM 0 HE3 TRP B 39 11.777 -4.209 8.816 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.331 -1.906 4.651 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 9.834 -4.994 7.541 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.120 -3.856 5.496 1.00 0.25 H new