USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 HIS : no HD1:sc= 0 X(o=0,f=0.12) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 106 CYS SG : rot 126:sc= 1.19 USER MOD Set 2.2: A 110 SER OG : rot 80:sc= 1.07 USER MOD Set 3.1: A 92 GLN : amide:sc= -0.977 K(o=-1.3,f=-4.9!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.287 X(o=-1.3,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= 0.0362 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.41 K(o=-2.4,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.12) USER MOD Single : A 74 CYS SG : rot 68:sc= -0.784 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.917) USER MOD Single : A 76 MET CE :methyl 171:sc= -3.75! (180deg=-4.14!) USER MOD Single : A 77 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot -31:sc= 1.2 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.44! C(o=-1.4!,f=-8.7!) USER MOD Single : A 96 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-8.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 49:sc= 1.27 USER MOD Single : A 107 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.27) USER MOD Single : A 114 SER OG : rot 93:sc= 0.427 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 179:sc= -2.16! USER MOD Single : A 128 ASN : amide:sc= 0.609 K(o=0.61,f=-0.84) USER MOD Single : A 131 CYS SG : rot 141:sc= -1.38! USER MOD Single : A 132 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 135 LYS NZ :NH3+ 158:sc= -0.215 (180deg=-0.928) USER MOD Single : A 137 HIS :FLIP no HE2:sc= -1.11 F(o=-1.6,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.522 -3.830 4.501 1.00 0.29 N ATOM 139 CA LYS A 60 -9.897 -2.848 5.389 1.00 0.29 C ATOM 140 C LYS A 60 -8.820 -3.508 6.232 1.00 0.25 C ATOM 141 O LYS A 60 -7.671 -3.083 6.233 1.00 0.26 O ATOM 142 CB LYS A 60 -10.977 -2.208 6.282 1.00 0.37 C ATOM 143 CG LYS A 60 -10.452 -1.307 7.394 1.00 0.57 C ATOM 144 CD LYS A 60 -10.106 -2.113 8.630 1.00 0.43 C ATOM 145 CE LYS A 60 -9.659 -1.224 9.771 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.391 -1.995 11.011 1.00 1.62 N ATOM 0 HA LYS A 60 -9.424 -2.068 4.792 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.648 -1.625 5.651 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.572 -3.003 6.731 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.569 -0.771 7.046 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.202 -0.557 7.643 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.974 -2.694 8.940 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.315 -2.824 8.391 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -8.758 -0.686 9.478 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.427 -0.476 9.969 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -9.833 -1.515 11.821 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -9.787 -2.952 10.917 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -8.364 -2.059 11.165 1.00 1.62 H new ATOM 160 N LEU A 61 -9.202 -4.566 6.925 1.00 0.25 N ATOM 161 CA LEU A 61 -8.271 -5.301 7.748 1.00 0.25 C ATOM 162 C LEU A 61 -7.181 -5.936 6.912 1.00 0.26 C ATOM 163 O LEU A 61 -5.999 -5.785 7.211 1.00 0.30 O ATOM 164 CB LEU A 61 -8.992 -6.365 8.544 1.00 0.30 C ATOM 165 CG LEU A 61 -9.085 -6.075 10.037 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.411 -7.346 10.797 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.790 -5.439 10.541 1.00 0.63 C ATOM 0 H LEU A 61 -10.154 -4.932 6.931 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.808 -4.593 8.435 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.000 -6.481 8.145 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.481 -7.317 8.402 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.892 -5.363 10.210 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.475 -7.126 11.863 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.365 -7.743 10.450 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.627 -8.084 10.625 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.875 -5.239 11.609 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.957 -6.120 10.364 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.613 -4.504 10.010 1.00 0.63 H new ATOM 179 N GLU A 62 -7.595 -6.652 5.877 1.00 0.25 N ATOM 180 CA GLU A 62 -6.700 -7.284 4.951 1.00 0.29 C ATOM 181 C GLU A 62 -5.646 -6.299 4.458 1.00 0.23 C ATOM 182 O GLU A 62 -4.445 -6.541 4.574 1.00 0.20 O ATOM 183 CB GLU A 62 -7.536 -7.797 3.785 1.00 0.39 C ATOM 184 CG GLU A 62 -7.062 -9.119 3.258 1.00 0.63 C ATOM 185 CD GLU A 62 -8.088 -9.790 2.371 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.214 -10.050 2.842 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.772 -10.057 1.190 1.00 2.20 O ATOM 0 H GLU A 62 -8.581 -6.806 5.664 1.00 0.25 H new ATOM 0 HA GLU A 62 -6.173 -8.105 5.436 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.574 -7.891 4.104 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.515 -7.063 2.980 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -6.140 -8.973 2.695 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.824 -9.776 4.095 1.00 0.63 H new ATOM 194 N ASN A 63 -6.122 -5.179 3.941 1.00 0.22 N ATOM 195 CA ASN A 63 -5.282 -4.152 3.360 1.00 0.19 C ATOM 196 C ASN A 63 -4.395 -3.489 4.389 1.00 0.15 C ATOM 197 O ASN A 63 -3.201 -3.342 4.157 1.00 0.16 O ATOM 198 CB ASN A 63 -6.151 -3.094 2.685 1.00 0.21 C ATOM 199 CG ASN A 63 -6.865 -3.634 1.471 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.418 -4.590 0.869 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.979 -3.025 1.107 1.00 0.27 N ATOM 0 H ASN A 63 -7.117 -4.957 3.914 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.637 -4.636 2.627 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.884 -2.719 3.399 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.529 -2.248 2.392 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.498 -3.355 0.293 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.321 -2.225 1.640 1.00 0.27 H new ATOM 208 N GLU A 64 -4.966 -3.068 5.515 1.00 0.15 N ATOM 209 CA GLU A 64 -4.169 -2.471 6.568 1.00 0.16 C ATOM 210 C GLU A 64 -3.040 -3.407 6.941 1.00 0.14 C ATOM 211 O GLU A 64 -1.881 -3.013 6.946 1.00 0.17 O ATOM 212 CB GLU A 64 -5.013 -2.165 7.801 1.00 0.21 C ATOM 213 CG GLU A 64 -5.941 -0.977 7.637 1.00 0.30 C ATOM 214 CD GLU A 64 -6.477 -0.480 8.964 1.00 1.20 C ATOM 215 OE1 GLU A 64 -6.610 -1.298 9.901 1.00 1.75 O ATOM 216 OE2 GLU A 64 -6.756 0.732 9.085 1.00 1.77 O ATOM 0 H GLU A 64 -5.964 -3.130 5.715 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.764 -1.530 6.196 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.607 -3.045 8.049 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.349 -1.980 8.646 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.408 -0.168 7.137 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -6.774 -1.256 6.992 1.00 0.30 H new ATOM 223 N LYS A 65 -3.389 -4.660 7.200 1.00 0.13 N ATOM 224 CA LYS A 65 -2.442 -5.666 7.564 1.00 0.14 C ATOM 225 C LYS A 65 -1.367 -5.830 6.501 1.00 0.12 C ATOM 226 O LYS A 65 -0.184 -5.742 6.799 1.00 0.14 O ATOM 227 CB LYS A 65 -3.198 -6.955 7.751 1.00 0.20 C ATOM 228 CG LYS A 65 -2.473 -7.952 8.595 1.00 0.44 C ATOM 229 CD LYS A 65 -1.633 -8.911 7.768 1.00 0.86 C ATOM 230 CE LYS A 65 -2.492 -9.752 6.836 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.695 -10.783 6.119 1.00 1.93 N ATOM 0 H LYS A 65 -4.352 -4.995 7.159 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.934 -5.378 8.484 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.164 -6.738 8.207 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.399 -7.395 6.774 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.830 -7.427 9.301 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.195 -8.520 9.182 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.907 -8.347 7.183 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.068 -9.566 8.432 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -3.280 -10.238 7.411 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -2.981 -9.103 6.110 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.322 -11.344 5.508 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.970 -10.318 5.537 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.235 -11.409 6.810 1.00 1.93 H new ATOM 245 N LEU A 66 -1.792 -6.064 5.261 1.00 0.11 N ATOM 246 CA LEU A 66 -0.864 -6.214 4.143 1.00 0.10 C ATOM 247 C LEU A 66 0.037 -4.997 4.040 1.00 0.08 C ATOM 248 O LEU A 66 1.238 -5.114 3.808 1.00 0.08 O ATOM 249 CB LEU A 66 -1.628 -6.390 2.834 1.00 0.10 C ATOM 250 CG LEU A 66 -2.423 -7.685 2.707 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.350 -7.622 1.505 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.475 -8.859 2.585 1.00 0.17 C ATOM 0 H LEU A 66 -2.775 -6.154 5.005 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.255 -7.100 4.323 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.313 -5.550 2.718 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.918 -6.338 2.009 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.032 -7.816 3.601 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.910 -8.554 1.428 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.044 -6.790 1.624 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.762 -7.477 0.599 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.048 -9.782 2.495 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.850 -8.732 1.701 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.843 -8.910 3.472 1.00 0.17 H new ATOM 264 N PHE A 67 -0.557 -3.832 4.225 1.00 0.07 N ATOM 265 CA PHE A 67 0.177 -2.591 4.226 1.00 0.06 C ATOM 266 C PHE A 67 1.245 -2.594 5.314 1.00 0.06 C ATOM 267 O PHE A 67 2.380 -2.213 5.066 1.00 0.07 O ATOM 268 CB PHE A 67 -0.778 -1.420 4.424 1.00 0.08 C ATOM 269 CG PHE A 67 -0.066 -0.111 4.470 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.740 0.253 3.420 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.184 0.735 5.557 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.431 1.450 3.442 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.498 1.934 5.587 1.00 0.12 C ATOM 274 CZ PHE A 67 1.308 2.289 4.527 1.00 0.09 C ATOM 0 H PHE A 67 -1.560 -3.725 4.378 1.00 0.07 H new ATOM 0 HA PHE A 67 0.675 -2.483 3.262 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.506 -1.407 3.613 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.335 -1.561 5.350 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.835 -0.403 2.567 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.814 0.455 6.388 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.064 1.726 2.612 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.398 2.593 6.437 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.846 3.225 4.549 1.00 0.09 H new ATOM 284 N GLU A 68 0.872 -3.023 6.512 1.00 0.08 N ATOM 285 CA GLU A 68 1.821 -3.138 7.615 1.00 0.09 C ATOM 286 C GLU A 68 2.887 -4.158 7.280 1.00 0.10 C ATOM 287 O GLU A 68 4.063 -3.944 7.547 1.00 0.12 O ATOM 288 CB GLU A 68 1.120 -3.573 8.903 1.00 0.14 C ATOM 289 CG GLU A 68 -0.145 -2.805 9.196 1.00 0.21 C ATOM 290 CD GLU A 68 -0.783 -3.196 10.510 1.00 0.87 C ATOM 291 OE1 GLU A 68 -0.375 -2.657 11.560 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.697 -4.045 10.503 1.00 1.47 O ATOM 0 H GLU A 68 -0.082 -3.298 6.747 1.00 0.08 H new ATOM 0 HA GLU A 68 2.271 -2.157 7.766 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.882 -4.635 8.836 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.809 -3.453 9.739 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.079 -1.738 9.211 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.859 -2.970 8.389 1.00 0.21 H new ATOM 299 N GLU A 69 2.467 -5.259 6.676 1.00 0.10 N ATOM 300 CA GLU A 69 3.391 -6.332 6.322 1.00 0.12 C ATOM 301 C GLU A 69 4.452 -5.790 5.380 1.00 0.11 C ATOM 302 O GLU A 69 5.627 -6.145 5.462 1.00 0.14 O ATOM 303 CB GLU A 69 2.671 -7.497 5.636 1.00 0.15 C ATOM 304 CG GLU A 69 1.537 -8.108 6.415 1.00 0.25 C ATOM 305 CD GLU A 69 1.362 -9.581 6.123 1.00 0.81 C ATOM 306 OE1 GLU A 69 0.650 -9.920 5.157 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.940 -10.413 6.852 1.00 1.21 O ATOM 0 H GLU A 69 1.495 -5.435 6.420 1.00 0.10 H new ATOM 0 HA GLU A 69 3.842 -6.702 7.243 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.284 -7.149 4.678 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.402 -8.276 5.420 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.718 -7.971 7.481 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.612 -7.582 6.178 1.00 0.25 H new ATOM 314 N PHE A 70 4.010 -4.911 4.498 1.00 0.09 N ATOM 315 CA PHE A 70 4.858 -4.308 3.511 1.00 0.09 C ATOM 316 C PHE A 70 5.649 -3.167 4.145 1.00 0.08 C ATOM 317 O PHE A 70 6.821 -2.964 3.845 1.00 0.10 O ATOM 318 CB PHE A 70 3.992 -3.812 2.359 1.00 0.09 C ATOM 319 CG PHE A 70 4.747 -3.170 1.245 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.063 -1.838 1.322 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.123 -3.888 0.123 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.743 -1.216 0.304 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.812 -3.271 -0.905 1.00 0.13 C ATOM 324 CZ PHE A 70 6.121 -1.930 -0.813 1.00 0.13 C ATOM 0 H PHE A 70 3.040 -4.599 4.455 1.00 0.09 H new ATOM 0 HA PHE A 70 5.572 -5.035 3.124 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.426 -4.653 1.959 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.267 -3.097 2.749 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.773 -1.271 2.194 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.877 -4.937 0.050 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.982 -0.165 0.379 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.107 -3.837 -1.776 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.657 -1.441 -1.613 1.00 0.13 H new ATOM 334 N LEU A 71 4.976 -2.410 5.010 1.00 0.07 N ATOM 335 CA LEU A 71 5.596 -1.329 5.751 1.00 0.08 C ATOM 336 C LEU A 71 6.769 -1.820 6.591 1.00 0.08 C ATOM 337 O LEU A 71 7.880 -1.303 6.484 1.00 0.09 O ATOM 338 CB LEU A 71 4.564 -0.634 6.634 1.00 0.09 C ATOM 339 CG LEU A 71 4.012 0.659 6.048 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.522 1.593 7.127 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.071 1.341 5.233 1.00 0.10 C ATOM 0 H LEU A 71 3.984 -2.535 5.212 1.00 0.07 H new ATOM 0 HA LEU A 71 5.987 -0.613 5.028 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.737 -1.320 6.816 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.017 -0.417 7.602 1.00 0.09 H new ATOM 0 HG LEU A 71 3.164 0.403 5.413 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.135 2.505 6.671 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.729 1.107 7.696 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.347 1.843 7.794 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.671 2.265 4.816 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.927 1.570 5.867 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.386 0.684 4.422 1.00 0.10 H new ATOM 353 N GLU A 72 6.506 -2.808 7.437 1.00 0.08 N ATOM 354 CA GLU A 72 7.556 -3.452 8.235 1.00 0.11 C ATOM 355 C GLU A 72 8.664 -3.949 7.331 1.00 0.09 C ATOM 356 O GLU A 72 9.848 -3.779 7.620 1.00 0.12 O ATOM 357 CB GLU A 72 7.002 -4.630 9.023 1.00 0.19 C ATOM 358 CG GLU A 72 5.841 -4.244 9.895 1.00 0.26 C ATOM 359 CD GLU A 72 6.218 -3.252 10.975 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.046 -3.599 11.840 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.705 -2.113 10.953 1.00 1.13 O ATOM 0 H GLU A 72 5.572 -3.186 7.593 1.00 0.08 H new ATOM 0 HA GLU A 72 7.945 -2.710 8.932 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.688 -5.411 8.330 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.793 -5.053 9.643 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.054 -3.816 9.274 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.429 -5.140 10.360 1.00 0.26 H new ATOM 368 N LEU A 73 8.249 -4.577 6.242 1.00 0.10 N ATOM 369 CA LEU A 73 9.168 -5.022 5.201 1.00 0.11 C ATOM 370 C LEU A 73 10.065 -3.879 4.768 1.00 0.10 C ATOM 371 O LEU A 73 11.280 -4.017 4.751 1.00 0.12 O ATOM 372 CB LEU A 73 8.384 -5.547 3.996 1.00 0.14 C ATOM 373 CG LEU A 73 9.227 -5.992 2.803 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.806 -7.375 3.033 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.401 -5.957 1.530 1.00 0.46 C ATOM 0 H LEU A 73 7.270 -4.793 6.053 1.00 0.10 H new ATOM 0 HA LEU A 73 9.786 -5.825 5.604 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.774 -6.390 4.321 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.699 -4.767 3.663 1.00 0.14 H new ATOM 0 HG LEU A 73 10.059 -5.296 2.693 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.402 -7.668 2.169 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.437 -7.362 3.922 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.995 -8.090 3.174 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.016 -6.277 0.689 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.548 -6.627 1.631 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.046 -4.942 1.355 1.00 0.46 H new ATOM 387 N CYS A 74 9.466 -2.743 4.450 1.00 0.09 N ATOM 388 CA CYS A 74 10.238 -1.582 4.035 1.00 0.10 C ATOM 389 C CYS A 74 11.188 -1.149 5.145 1.00 0.11 C ATOM 390 O CYS A 74 12.346 -0.863 4.888 1.00 0.14 O ATOM 391 CB CYS A 74 9.323 -0.432 3.630 1.00 0.10 C ATOM 392 SG CYS A 74 8.256 -0.828 2.234 1.00 0.11 S ATOM 0 H CYS A 74 8.456 -2.600 4.471 1.00 0.09 H new ATOM 0 HA CYS A 74 10.829 -1.862 3.163 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.705 -0.151 4.483 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.932 0.436 3.378 1.00 0.10 H new ATOM 0 HG CYS A 74 7.383 -1.721 2.595 1.00 0.11 H new ATOM 398 N LYS A 75 10.728 -1.176 6.393 1.00 0.11 N ATOM 399 CA LYS A 75 11.581 -0.824 7.525 1.00 0.12 C ATOM 400 C LYS A 75 12.800 -1.746 7.583 1.00 0.13 C ATOM 401 O LYS A 75 13.812 -1.427 8.207 1.00 0.16 O ATOM 402 CB LYS A 75 10.786 -0.929 8.827 1.00 0.13 C ATOM 403 CG LYS A 75 9.599 0.000 8.890 1.00 0.18 C ATOM 404 CD LYS A 75 8.744 -0.307 10.100 1.00 0.20 C ATOM 405 CE LYS A 75 7.520 0.581 10.143 1.00 0.30 C ATOM 406 NZ LYS A 75 6.649 0.280 11.311 1.00 0.32 N ATOM 0 H LYS A 75 9.775 -1.436 6.646 1.00 0.11 H new ATOM 0 HA LYS A 75 11.926 0.202 7.397 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.440 -1.955 8.949 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.449 -0.714 9.665 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.942 1.034 8.933 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.003 -0.101 7.983 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.437 -1.353 10.076 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.330 -0.167 11.008 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.832 1.625 10.183 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.949 0.454 9.223 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.740 0.774 11.203 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.482 -0.745 11.364 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.115 0.600 12.184 1.00 0.32 H new ATOM 420 N MET A 76 12.682 -2.893 6.922 1.00 0.12 N ATOM 421 CA MET A 76 13.753 -3.872 6.858 1.00 0.13 C ATOM 422 C MET A 76 14.697 -3.611 5.682 1.00 0.14 C ATOM 423 O MET A 76 15.914 -3.713 5.828 1.00 0.16 O ATOM 424 CB MET A 76 13.160 -5.280 6.750 1.00 0.14 C ATOM 425 CG MET A 76 12.374 -5.695 7.978 1.00 0.15 C ATOM 426 SD MET A 76 12.024 -7.461 8.026 1.00 0.21 S ATOM 427 CE MET A 76 10.872 -7.615 6.669 1.00 0.40 C ATOM 0 H MET A 76 11.839 -3.167 6.417 1.00 0.12 H new ATOM 0 HA MET A 76 14.338 -3.786 7.774 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.509 -5.326 5.877 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.966 -5.995 6.584 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.933 -5.417 8.871 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.434 -5.143 8.005 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.685 -8.670 6.468 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.935 -7.124 6.930 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.292 -7.145 5.780 1.00 0.40 H new ATOM 437 N GLN A 77 14.147 -3.267 4.519 1.00 0.14 N ATOM 438 CA GLN A 77 14.950 -3.149 3.311 1.00 0.15 C ATOM 439 C GLN A 77 15.205 -1.700 2.881 1.00 0.16 C ATOM 440 O GLN A 77 16.075 -1.453 2.047 1.00 0.22 O ATOM 441 CB GLN A 77 14.296 -3.911 2.160 1.00 0.19 C ATOM 442 CG GLN A 77 12.909 -4.457 2.446 1.00 0.21 C ATOM 443 CD GLN A 77 12.781 -5.920 2.092 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.467 -6.278 0.960 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.998 -6.775 3.073 1.00 0.25 N ATOM 0 H GLN A 77 13.155 -3.067 4.391 1.00 0.14 H new ATOM 0 HA GLN A 77 15.919 -3.584 3.554 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.236 -3.249 1.296 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.945 -4.741 1.881 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.679 -4.320 3.503 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.173 -3.884 1.882 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.257 -6.434 3.999 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.907 -7.777 2.906 1.00 0.25 H new ATOM 454 N THR A 78 14.485 -0.742 3.443 1.00 0.17 N ATOM 455 CA THR A 78 14.646 0.646 3.030 1.00 0.22 C ATOM 456 C THR A 78 15.291 1.458 4.139 1.00 0.30 C ATOM 457 O THR A 78 14.816 2.535 4.483 1.00 0.32 O ATOM 458 CB THR A 78 13.308 1.327 2.629 1.00 0.17 C ATOM 459 OG1 THR A 78 12.451 1.480 3.764 1.00 0.14 O ATOM 460 CG2 THR A 78 12.581 0.538 1.560 1.00 0.22 C ATOM 0 H THR A 78 13.792 -0.895 4.176 1.00 0.17 H new ATOM 0 HA THR A 78 15.285 0.622 2.147 1.00 0.22 H new ATOM 0 HB THR A 78 13.560 2.310 2.230 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.614 0.750 4.398 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.650 1.044 1.304 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.209 0.464 0.672 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.360 -0.462 1.933 1.00 0.22 H new ATOM 468 N ALA A 79 16.361 0.943 4.723 1.00 0.38 N ATOM 469 CA ALA A 79 17.100 1.686 5.735 1.00 0.50 C ATOM 470 C ALA A 79 17.624 3.002 5.183 1.00 0.52 C ATOM 471 O ALA A 79 17.749 3.991 5.904 1.00 0.55 O ATOM 472 CB ALA A 79 18.255 0.853 6.236 1.00 0.67 C ATOM 0 H ALA A 79 16.737 0.018 4.516 1.00 0.38 H new ATOM 0 HA ALA A 79 16.418 1.908 6.556 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.805 1.412 6.993 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.875 -0.071 6.672 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.920 0.616 5.405 1.00 0.67 H new ATOM 478 N ASP A 80 17.936 2.997 3.897 1.00 0.53 N ATOM 479 CA ASP A 80 18.438 4.184 3.221 1.00 0.57 C ATOM 480 C ASP A 80 17.293 5.142 2.921 1.00 0.52 C ATOM 481 O ASP A 80 17.493 6.331 2.672 1.00 0.57 O ATOM 482 CB ASP A 80 19.150 3.774 1.932 1.00 0.65 C ATOM 483 CG ASP A 80 19.757 4.945 1.188 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.750 5.515 1.681 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.233 5.309 0.114 1.00 1.46 O ATOM 0 H ASP A 80 17.850 2.178 3.296 1.00 0.53 H new ATOM 0 HA ASP A 80 19.149 4.696 3.870 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.935 3.057 2.171 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.441 3.265 1.279 1.00 0.65 H new ATOM 490 N HIS A 81 16.085 4.611 2.976 1.00 0.43 N ATOM 491 CA HIS A 81 14.880 5.405 2.758 1.00 0.38 C ATOM 492 C HIS A 81 13.862 5.166 3.865 1.00 0.29 C ATOM 493 O HIS A 81 12.778 4.647 3.617 1.00 0.23 O ATOM 494 CB HIS A 81 14.241 5.089 1.397 1.00 0.41 C ATOM 495 CG HIS A 81 14.940 5.723 0.232 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.409 6.778 -0.481 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.132 5.444 -0.347 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.244 7.118 -1.443 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.298 6.326 -1.385 1.00 0.86 N ATOM 0 H HIS A 81 15.907 3.626 3.171 1.00 0.43 H new ATOM 0 HA HIS A 81 15.179 6.453 2.769 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.228 4.008 1.255 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.203 5.421 1.409 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.824 4.671 -0.047 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.091 7.912 -2.159 1.00 1.08 H new ATOM 0 HE2 HIS A 81 17.104 6.363 -2.009 1.00 0.86 H new ATOM 508 N PRO A 82 14.189 5.554 5.106 1.00 0.32 N ATOM 509 CA PRO A 82 13.292 5.364 6.242 1.00 0.29 C ATOM 510 C PRO A 82 12.070 6.264 6.145 1.00 0.26 C ATOM 511 O PRO A 82 11.089 6.081 6.856 1.00 0.29 O ATOM 512 CB PRO A 82 14.150 5.739 7.445 1.00 0.38 C ATOM 513 CG PRO A 82 15.208 6.635 6.915 1.00 0.44 C ATOM 514 CD PRO A 82 15.445 6.212 5.499 1.00 0.41 C ATOM 0 HA PRO A 82 12.900 4.348 6.297 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.557 6.242 8.209 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.583 4.853 7.910 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.894 7.678 6.962 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.121 6.550 7.504 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.664 7.067 4.859 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.293 5.531 5.423 1.00 0.41 H new ATOM 522 N GLU A 83 12.149 7.231 5.240 1.00 0.23 N ATOM 523 CA GLU A 83 11.052 8.146 4.963 1.00 0.21 C ATOM 524 C GLU A 83 9.969 7.443 4.160 1.00 0.17 C ATOM 525 O GLU A 83 8.832 7.907 4.083 1.00 0.18 O ATOM 526 CB GLU A 83 11.566 9.324 4.155 1.00 0.28 C ATOM 527 CG GLU A 83 11.713 8.982 2.692 1.00 0.46 C ATOM 528 CD GLU A 83 12.296 10.107 1.870 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.343 10.653 2.266 1.00 0.95 O ATOM 530 OE2 GLU A 83 11.724 10.426 0.806 1.00 1.01 O ATOM 0 H GLU A 83 12.981 7.403 4.675 1.00 0.23 H new ATOM 0 HA GLU A 83 10.638 8.489 5.911 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.882 10.165 4.264 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.530 9.643 4.552 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.349 8.102 2.594 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.736 8.715 2.289 1.00 0.46 H new ATOM 537 N VAL A 84 10.349 6.330 3.554 1.00 0.15 N ATOM 538 CA VAL A 84 9.484 5.587 2.669 1.00 0.14 C ATOM 539 C VAL A 84 8.281 5.036 3.414 1.00 0.11 C ATOM 540 O VAL A 84 7.175 5.040 2.896 1.00 0.11 O ATOM 541 CB VAL A 84 10.293 4.477 1.969 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.494 3.218 1.783 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.811 4.981 0.637 1.00 0.21 C ATOM 0 H VAL A 84 11.275 5.918 3.667 1.00 0.15 H new ATOM 0 HA VAL A 84 9.093 6.257 1.903 1.00 0.14 H new ATOM 0 HB VAL A 84 11.134 4.224 2.615 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.108 2.467 1.286 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.177 2.841 2.755 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.616 3.431 1.173 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.382 4.192 0.147 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.971 5.267 0.005 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.454 5.846 0.800 1.00 0.21 H new ATOM 553 N VAL A 85 8.501 4.591 4.634 1.00 0.09 N ATOM 554 CA VAL A 85 7.425 4.113 5.466 1.00 0.09 C ATOM 555 C VAL A 85 6.431 5.224 5.801 1.00 0.10 C ATOM 556 O VAL A 85 5.245 5.060 5.579 1.00 0.10 O ATOM 557 CB VAL A 85 7.975 3.463 6.732 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.868 3.221 7.730 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.694 2.181 6.357 1.00 0.11 C ATOM 0 H VAL A 85 9.422 4.552 5.070 1.00 0.09 H new ATOM 0 HA VAL A 85 6.879 3.357 4.902 1.00 0.09 H new ATOM 0 HB VAL A 85 8.690 4.131 7.212 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.281 2.757 8.626 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.403 4.171 7.995 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.120 2.561 7.291 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.090 1.710 7.256 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.995 1.501 5.869 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.514 2.409 5.676 1.00 0.11 H new ATOM 569 N PRO A 86 6.889 6.350 6.364 1.00 0.12 N ATOM 570 CA PRO A 86 6.055 7.534 6.538 1.00 0.14 C ATOM 571 C PRO A 86 5.345 7.935 5.243 1.00 0.14 C ATOM 572 O PRO A 86 4.157 8.199 5.250 1.00 0.18 O ATOM 573 CB PRO A 86 7.019 8.637 6.963 1.00 0.18 C ATOM 574 CG PRO A 86 8.330 7.983 7.238 1.00 0.18 C ATOM 575 CD PRO A 86 8.218 6.520 6.933 1.00 0.14 C ATOM 0 HA PRO A 86 5.268 7.349 7.269 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.118 9.387 6.178 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.650 9.152 7.850 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.112 8.436 6.629 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.613 8.130 8.280 1.00 0.18 H new ATOM 0 HD2 PRO A 86 8.990 6.204 6.232 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.340 5.919 7.834 1.00 0.14 H new ATOM 583 N PHE A 87 6.090 7.961 4.136 1.00 0.13 N ATOM 584 CA PHE A 87 5.544 8.273 2.816 1.00 0.14 C ATOM 585 C PHE A 87 4.477 7.255 2.430 1.00 0.12 C ATOM 586 O PHE A 87 3.462 7.590 1.815 1.00 0.12 O ATOM 587 CB PHE A 87 6.686 8.256 1.788 1.00 0.18 C ATOM 588 CG PHE A 87 6.335 8.788 0.427 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.097 9.342 0.179 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.266 8.748 -0.598 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.784 9.847 -1.065 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.961 9.247 -1.847 1.00 1.01 C ATOM 593 CZ PHE A 87 5.719 9.799 -2.081 1.00 0.69 C ATOM 0 H PHE A 87 7.091 7.766 4.131 1.00 0.13 H new ATOM 0 HA PHE A 87 5.083 9.260 2.837 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.518 8.839 2.184 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.039 7.230 1.679 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.363 9.381 0.970 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.241 8.321 -0.417 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.811 10.279 -1.245 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.693 9.206 -2.640 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.478 10.193 -3.057 1.00 0.69 H new ATOM 603 N LEU A 88 4.695 6.026 2.850 1.00 0.10 N ATOM 604 CA LEU A 88 3.798 4.942 2.548 1.00 0.09 C ATOM 605 C LEU A 88 2.574 5.105 3.398 1.00 0.08 C ATOM 606 O LEU A 88 1.435 5.078 2.925 1.00 0.09 O ATOM 607 CB LEU A 88 4.465 3.621 2.898 1.00 0.09 C ATOM 608 CG LEU A 88 5.031 2.838 1.732 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.851 1.678 2.243 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.913 2.336 0.850 1.00 0.10 C ATOM 0 H LEU A 88 5.502 5.755 3.411 1.00 0.10 H new ATOM 0 HA LEU A 88 3.540 4.949 1.489 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.272 3.819 3.604 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.737 2.994 3.413 1.00 0.09 H new ATOM 0 HG LEU A 88 5.672 3.494 1.143 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.255 1.119 1.399 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.671 2.054 2.856 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.220 1.023 2.844 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.332 1.775 0.015 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.256 1.688 1.429 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.343 3.183 0.468 1.00 0.10 H new ATOM 622 N TYR A 89 2.855 5.296 4.675 1.00 0.08 N ATOM 623 CA TYR A 89 1.860 5.448 5.690 1.00 0.09 C ATOM 624 C TYR A 89 0.951 6.605 5.344 1.00 0.09 C ATOM 625 O TYR A 89 -0.258 6.474 5.317 1.00 0.11 O ATOM 626 CB TYR A 89 2.565 5.753 7.009 1.00 0.10 C ATOM 627 CG TYR A 89 2.239 4.801 8.103 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.950 4.380 8.274 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.212 4.343 8.969 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.609 3.521 9.280 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.897 3.475 9.984 1.00 0.20 C ATOM 632 CZ TYR A 89 1.589 3.061 10.143 1.00 0.22 C ATOM 633 OH TYR A 89 1.264 2.206 11.170 1.00 0.27 O ATOM 0 H TYR A 89 3.809 5.349 5.031 1.00 0.08 H new ATOM 0 HA TYR A 89 1.269 4.536 5.769 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.642 5.745 6.844 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.299 6.761 7.327 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.185 4.734 7.599 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.233 4.672 8.846 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.416 3.203 9.401 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.666 3.118 10.653 1.00 0.20 H new ATOM 0 HH TYR A 89 2.072 1.982 11.677 1.00 0.27 H new ATOM 643 N ASN A 90 1.588 7.721 5.055 1.00 0.09 N ATOM 644 CA ASN A 90 0.945 8.953 4.633 1.00 0.09 C ATOM 645 C ASN A 90 -0.029 8.696 3.500 1.00 0.09 C ATOM 646 O ASN A 90 -1.219 8.910 3.647 1.00 0.10 O ATOM 647 CB ASN A 90 2.073 9.902 4.216 1.00 0.11 C ATOM 648 CG ASN A 90 1.692 11.055 3.326 1.00 0.24 C ATOM 649 OD1 ASN A 90 1.243 12.103 3.785 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.954 10.885 2.042 1.00 0.40 N ATOM 0 H ASN A 90 2.604 7.800 5.109 1.00 0.09 H new ATOM 0 HA ASN A 90 0.354 9.392 5.436 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.529 10.306 5.120 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.839 9.317 3.706 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.784 11.644 1.382 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.326 9.995 1.711 1.00 0.40 H new ATOM 657 N ARG A 91 0.481 8.184 2.401 1.00 0.08 N ATOM 658 CA ARG A 91 -0.341 7.858 1.239 1.00 0.10 C ATOM 659 C ARG A 91 -1.538 7.000 1.628 1.00 0.09 C ATOM 660 O ARG A 91 -2.656 7.253 1.191 1.00 0.11 O ATOM 661 CB ARG A 91 0.493 7.119 0.192 1.00 0.13 C ATOM 662 CG ARG A 91 1.365 8.035 -0.632 1.00 0.16 C ATOM 663 CD ARG A 91 0.515 9.048 -1.367 1.00 0.29 C ATOM 664 NE ARG A 91 1.289 10.216 -1.786 1.00 0.88 N ATOM 665 CZ ARG A 91 0.779 11.436 -1.929 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.513 11.654 -1.697 1.00 1.35 N ATOM 667 NH2 ARG A 91 1.559 12.441 -2.308 1.00 1.64 N ATOM 0 H ARG A 91 1.473 7.980 2.280 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.708 8.796 0.822 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.122 6.383 0.692 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.174 6.569 -0.472 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.077 8.548 0.014 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.945 7.451 -1.346 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.067 8.578 -2.242 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.304 9.368 -0.723 1.00 0.29 H new ATOM 0 HE ARG A 91 2.282 10.087 -1.981 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -1.116 10.884 -1.408 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.900 12.591 -1.808 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.549 12.278 -2.490 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.168 13.377 -2.418 1.00 1.64 H new ATOM 681 N GLN A 92 -1.293 6.004 2.462 1.00 0.09 N ATOM 682 CA GLN A 92 -2.329 5.076 2.880 1.00 0.12 C ATOM 683 C GLN A 92 -3.306 5.751 3.839 1.00 0.11 C ATOM 684 O GLN A 92 -4.521 5.604 3.721 1.00 0.13 O ATOM 685 CB GLN A 92 -1.667 3.868 3.535 1.00 0.18 C ATOM 686 CG GLN A 92 -2.499 2.608 3.481 1.00 0.35 C ATOM 687 CD GLN A 92 -3.291 2.349 4.742 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.671 3.264 5.468 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.537 1.084 5.005 1.00 0.36 N ATOM 0 H GLN A 92 -0.376 5.817 2.866 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.901 4.750 2.012 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.711 3.681 3.046 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.452 4.105 4.577 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.186 2.673 2.638 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.843 1.758 3.293 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.201 0.357 4.373 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.063 0.830 5.841 1.00 0.36 H new ATOM 698 N GLN A 93 -2.756 6.510 4.771 1.00 0.12 N ATOM 699 CA GLN A 93 -3.544 7.246 5.749 1.00 0.14 C ATOM 700 C GLN A 93 -4.430 8.285 5.062 1.00 0.16 C ATOM 701 O GLN A 93 -5.541 8.573 5.515 1.00 0.20 O ATOM 702 CB GLN A 93 -2.621 7.940 6.760 1.00 0.15 C ATOM 703 CG GLN A 93 -1.947 6.996 7.748 1.00 0.15 C ATOM 704 CD GLN A 93 -2.903 6.047 8.430 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.502 6.371 9.456 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.020 4.853 7.884 1.00 0.22 N ATOM 0 H GLN A 93 -1.749 6.635 4.872 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.183 6.536 6.274 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.851 8.486 6.215 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.201 8.676 7.317 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.187 6.417 7.223 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.431 7.585 8.506 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.504 4.629 7.033 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.626 4.153 8.312 1.00 0.22 H new ATOM 715 N ARG A 94 -3.922 8.845 3.972 1.00 0.14 N ATOM 716 CA ARG A 94 -4.630 9.878 3.222 1.00 0.15 C ATOM 717 C ARG A 94 -5.490 9.267 2.121 1.00 0.14 C ATOM 718 O ARG A 94 -6.233 9.969 1.428 1.00 0.19 O ATOM 719 CB ARG A 94 -3.614 10.843 2.620 1.00 0.21 C ATOM 720 CG ARG A 94 -2.610 11.328 3.636 1.00 0.76 C ATOM 721 CD ARG A 94 -1.490 12.099 2.986 1.00 0.64 C ATOM 722 NE ARG A 94 -1.964 13.201 2.156 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.166 14.143 1.664 1.00 1.04 C ATOM 724 NH1 ARG A 94 0.132 14.132 1.956 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.664 15.105 0.903 1.00 1.40 N ATOM 0 H ARG A 94 -3.012 8.599 3.583 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.292 10.414 3.902 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -3.089 10.350 1.801 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -4.138 11.699 2.194 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -3.110 11.961 4.369 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -2.199 10.476 4.178 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -0.830 12.492 3.759 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.896 11.420 2.374 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.960 13.251 1.942 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.513 13.401 2.557 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.746 14.854 1.579 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.662 15.124 0.693 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.050 15.827 0.526 1.00 1.40 H new ATOM 739 N ALA A 95 -5.395 7.958 1.973 1.00 0.12 N ATOM 740 CA ALA A 95 -6.158 7.247 0.962 1.00 0.12 C ATOM 741 C ALA A 95 -7.603 7.107 1.407 1.00 0.13 C ATOM 742 O ALA A 95 -7.927 7.319 2.579 1.00 0.17 O ATOM 743 CB ALA A 95 -5.551 5.876 0.690 1.00 0.13 C ATOM 0 H ALA A 95 -4.794 7.363 2.543 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.126 7.821 0.036 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.139 5.362 -0.070 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.527 5.995 0.337 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.553 5.289 1.608 1.00 0.13 H new ATOM 749 N HIS A 96 -8.467 6.762 0.468 1.00 0.12 N ATOM 750 CA HIS A 96 -9.881 6.598 0.748 1.00 0.13 C ATOM 751 C HIS A 96 -10.093 5.380 1.622 1.00 0.13 C ATOM 752 O HIS A 96 -9.734 4.274 1.237 1.00 0.12 O ATOM 753 CB HIS A 96 -10.642 6.418 -0.559 1.00 0.14 C ATOM 754 CG HIS A 96 -12.077 6.826 -0.489 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.881 6.437 0.544 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.795 7.591 -1.345 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.062 6.968 0.298 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.061 7.676 -0.836 1.00 0.25 N ATOM 0 H HIS A 96 -8.209 6.589 -0.504 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.248 7.484 1.267 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.148 6.999 -1.338 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.587 5.371 -0.858 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.436 8.047 -2.256 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.926 6.846 0.935 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.849 8.180 -1.242 1.00 0.25 H new ATOM 766 N SER A 97 -10.667 5.593 2.802 1.00 0.16 N ATOM 767 CA SER A 97 -10.944 4.505 3.730 1.00 0.20 C ATOM 768 C SER A 97 -11.751 3.395 3.064 1.00 0.18 C ATOM 769 O SER A 97 -11.562 2.223 3.372 1.00 0.18 O ATOM 770 CB SER A 97 -11.688 5.034 4.956 1.00 0.29 C ATOM 771 OG SER A 97 -10.953 6.066 5.597 1.00 1.32 O ATOM 0 H SER A 97 -10.950 6.514 3.138 1.00 0.16 H new ATOM 0 HA SER A 97 -9.990 4.083 4.044 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.665 5.412 4.656 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.863 4.219 5.658 1.00 0.29 H new ATOM 0 HG SER A 97 -11.452 6.387 6.377 1.00 1.32 H new ATOM 777 N LEU A 98 -12.658 3.764 2.165 1.00 0.18 N ATOM 778 CA LEU A 98 -13.402 2.804 1.373 1.00 0.18 C ATOM 779 C LEU A 98 -12.489 1.984 0.488 1.00 0.15 C ATOM 780 O LEU A 98 -12.617 0.773 0.403 1.00 0.18 O ATOM 781 CB LEU A 98 -14.368 3.561 0.503 1.00 0.21 C ATOM 782 CG LEU A 98 -15.616 4.083 1.198 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.559 2.938 1.531 1.00 0.57 C ATOM 784 CD2 LEU A 98 -15.297 4.879 2.457 1.00 0.61 C ATOM 0 H LEU A 98 -12.894 4.737 1.969 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.921 2.123 2.047 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.842 4.406 0.059 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.676 2.911 -0.316 1.00 0.21 H new ATOM 0 HG LEU A 98 -16.102 4.764 0.500 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.446 3.330 2.028 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.852 2.429 0.613 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.055 2.232 2.192 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -16.224 5.227 2.912 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -14.762 4.244 3.163 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -14.676 5.736 2.198 1.00 0.61 H new ATOM 796 N PHE A 99 -11.567 2.670 -0.154 1.00 0.12 N ATOM 797 CA PHE A 99 -10.572 2.026 -1.011 1.00 0.11 C ATOM 798 C PHE A 99 -9.649 1.150 -0.172 1.00 0.11 C ATOM 799 O PHE A 99 -9.288 0.039 -0.563 1.00 0.12 O ATOM 800 CB PHE A 99 -9.746 3.070 -1.766 1.00 0.12 C ATOM 801 CG PHE A 99 -8.493 2.506 -2.376 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.572 1.550 -3.367 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.243 2.930 -1.952 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.426 1.017 -3.932 1.00 0.18 C ATOM 805 CE2 PHE A 99 -6.094 2.405 -2.511 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.183 1.448 -3.503 1.00 0.18 C ATOM 0 H PHE A 99 -11.479 3.685 -0.103 1.00 0.12 H new ATOM 0 HA PHE A 99 -11.098 1.407 -1.738 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.359 3.509 -2.553 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.479 3.876 -1.083 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.540 1.213 -3.707 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.167 3.678 -1.177 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.502 0.267 -4.705 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.126 2.743 -2.172 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.286 1.038 -3.942 1.00 0.18 H new ATOM 816 N LEU A 100 -9.275 1.668 0.987 1.00 0.12 N ATOM 817 CA LEU A 100 -8.466 0.936 1.945 1.00 0.14 C ATOM 818 C LEU A 100 -9.227 -0.275 2.447 1.00 0.16 C ATOM 819 O LEU A 100 -8.644 -1.226 2.953 1.00 0.21 O ATOM 820 CB LEU A 100 -8.092 1.842 3.108 1.00 0.17 C ATOM 821 CG LEU A 100 -7.307 3.079 2.712 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.379 4.117 3.813 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.874 2.701 2.415 1.00 0.22 C ATOM 0 H LEU A 100 -9.525 2.610 1.289 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.553 0.598 1.455 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.004 2.153 3.618 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.505 1.268 3.825 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.743 3.511 1.812 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.812 5.000 3.518 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.419 4.394 3.985 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.957 3.705 4.730 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.314 3.592 2.131 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.423 2.257 3.303 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.850 1.981 1.597 1.00 0.22 H new ATOM 835 N ALA A 101 -10.540 -0.223 2.319 1.00 0.16 N ATOM 836 CA ALA A 101 -11.376 -1.384 2.567 1.00 0.19 C ATOM 837 C ALA A 101 -11.967 -1.920 1.264 1.00 0.21 C ATOM 838 O ALA A 101 -13.080 -2.433 1.249 1.00 0.37 O ATOM 839 CB ALA A 101 -12.486 -1.046 3.553 1.00 0.23 C ATOM 0 H ALA A 101 -11.053 0.615 2.043 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.750 -2.162 3.003 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.101 -1.929 3.725 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.048 -0.719 4.496 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.105 -0.247 3.144 1.00 0.23 H new ATOM 845 N SER A 102 -11.253 -1.736 0.159 1.00 0.13 N ATOM 846 CA SER A 102 -11.641 -2.360 -1.106 1.00 0.15 C ATOM 847 C SER A 102 -10.606 -3.378 -1.585 1.00 0.17 C ATOM 848 O SER A 102 -9.403 -3.245 -1.344 1.00 0.25 O ATOM 849 CB SER A 102 -11.861 -1.307 -2.181 1.00 0.18 C ATOM 850 OG SER A 102 -12.939 -0.445 -1.849 1.00 1.40 O ATOM 0 H SER A 102 -10.409 -1.165 0.110 1.00 0.13 H new ATOM 0 HA SER A 102 -12.575 -2.891 -0.924 1.00 0.15 H new ATOM 0 HB2 SER A 102 -10.951 -0.721 -2.310 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.064 -1.795 -3.134 1.00 0.18 H new ATOM 0 HG SER A 102 -12.832 -0.126 -0.928 1.00 1.40 H new ATOM 856 N ALA A 103 -11.133 -4.413 -2.243 1.00 0.20 N ATOM 857 CA ALA A 103 -10.364 -5.529 -2.794 1.00 0.21 C ATOM 858 C ALA A 103 -9.185 -5.087 -3.658 1.00 0.18 C ATOM 859 O ALA A 103 -8.159 -5.762 -3.687 1.00 0.19 O ATOM 860 CB ALA A 103 -11.280 -6.413 -3.623 1.00 0.27 C ATOM 0 H ALA A 103 -12.135 -4.499 -2.412 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.952 -6.073 -1.944 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.708 -7.245 -4.034 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.081 -6.799 -2.993 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.709 -5.830 -4.438 1.00 0.27 H new ATOM 866 N GLU A 104 -9.347 -3.987 -4.392 1.00 0.17 N ATOM 867 CA GLU A 104 -8.301 -3.500 -5.288 1.00 0.17 C ATOM 868 C GLU A 104 -6.989 -3.289 -4.550 1.00 0.14 C ATOM 869 O GLU A 104 -5.936 -3.719 -5.014 1.00 0.14 O ATOM 870 CB GLU A 104 -8.709 -2.196 -5.943 1.00 0.22 C ATOM 871 CG GLU A 104 -7.961 -1.922 -7.232 1.00 0.30 C ATOM 872 CD GLU A 104 -8.337 -0.596 -7.863 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.452 -0.484 -8.416 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.522 0.351 -7.793 1.00 1.70 O ATOM 0 H GLU A 104 -10.193 -3.417 -4.383 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.161 -4.264 -6.053 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.779 -2.218 -6.148 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.535 -1.376 -5.247 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.889 -1.933 -7.033 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.162 -2.726 -7.940 1.00 0.30 H new ATOM 881 N PHE A 105 -7.052 -2.635 -3.396 1.00 0.13 N ATOM 882 CA PHE A 105 -5.856 -2.366 -2.619 1.00 0.13 C ATOM 883 C PHE A 105 -5.237 -3.680 -2.174 1.00 0.12 C ATOM 884 O PHE A 105 -4.026 -3.831 -2.178 1.00 0.13 O ATOM 885 CB PHE A 105 -6.192 -1.486 -1.407 1.00 0.13 C ATOM 886 CG PHE A 105 -4.981 -0.971 -0.684 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.816 -0.729 -1.381 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.008 -0.723 0.681 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.696 -0.248 -0.738 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.887 -0.242 1.330 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.729 -0.004 0.616 1.00 0.14 C ATOM 0 H PHE A 105 -7.916 -2.284 -2.982 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.138 -1.827 -3.237 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.794 -0.640 -1.739 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.804 -2.059 -0.711 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.781 -0.919 -2.444 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.913 -0.908 1.241 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.791 -0.062 -1.297 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.916 -0.053 2.393 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.851 0.373 1.119 1.00 0.14 H new ATOM 901 N CYS A 106 -6.092 -4.635 -1.840 1.00 0.13 N ATOM 902 CA CYS A 106 -5.659 -5.969 -1.438 1.00 0.15 C ATOM 903 C CYS A 106 -4.905 -6.636 -2.572 1.00 0.15 C ATOM 904 O CYS A 106 -3.839 -7.225 -2.380 1.00 0.16 O ATOM 905 CB CYS A 106 -6.881 -6.805 -1.039 1.00 0.19 C ATOM 906 SG CYS A 106 -6.581 -8.585 -0.972 1.00 0.29 S ATOM 0 H CYS A 106 -7.104 -4.510 -1.839 1.00 0.13 H new ATOM 0 HA CYS A 106 -4.990 -5.890 -0.581 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.231 -6.471 -0.062 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.685 -6.611 -1.749 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.945 -9.043 0.189 1.00 0.29 H new ATOM 912 N ASN A 107 -5.485 -6.526 -3.748 1.00 0.14 N ATOM 913 CA ASN A 107 -4.890 -7.014 -4.982 1.00 0.16 C ATOM 914 C ASN A 107 -3.503 -6.432 -5.174 1.00 0.15 C ATOM 915 O ASN A 107 -2.516 -7.154 -5.286 1.00 0.17 O ATOM 916 CB ASN A 107 -5.776 -6.589 -6.148 1.00 0.18 C ATOM 917 CG ASN A 107 -6.149 -7.742 -7.057 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.361 -8.661 -7.275 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.366 -7.707 -7.579 1.00 0.34 N ATOM 0 H ASN A 107 -6.397 -6.089 -3.880 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.808 -8.100 -4.935 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.685 -6.131 -5.759 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.260 -5.826 -6.731 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.682 -8.462 -8.188 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.988 -6.925 -7.372 1.00 0.34 H new ATOM 926 N ILE A 108 -3.453 -5.113 -5.153 1.00 0.13 N ATOM 927 CA ILE A 108 -2.237 -4.351 -5.363 1.00 0.13 C ATOM 928 C ILE A 108 -1.204 -4.689 -4.296 1.00 0.11 C ATOM 929 O ILE A 108 -0.025 -4.896 -4.580 1.00 0.12 O ATOM 930 CB ILE A 108 -2.607 -2.858 -5.297 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.406 -2.464 -6.543 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.381 -1.977 -5.119 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.259 -1.228 -6.354 1.00 0.17 C ATOM 0 H ILE A 108 -4.273 -4.530 -4.986 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.800 -4.594 -6.332 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.232 -2.700 -4.418 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.715 -2.295 -7.368 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.048 -3.297 -6.831 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.687 -0.932 -5.077 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.873 -2.244 -4.192 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.703 -2.123 -5.960 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.795 -1.011 -7.278 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.975 -1.400 -5.551 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.622 -0.382 -6.097 1.00 0.17 H new ATOM 945 N LEU A 109 -1.691 -4.766 -3.076 1.00 0.09 N ATOM 946 CA LEU A 109 -0.887 -5.074 -1.911 1.00 0.08 C ATOM 947 C LEU A 109 -0.251 -6.444 -1.996 1.00 0.09 C ATOM 948 O LEU A 109 0.966 -6.582 -1.909 1.00 0.10 O ATOM 949 CB LEU A 109 -1.775 -4.984 -0.691 1.00 0.08 C ATOM 950 CG LEU A 109 -1.748 -3.618 -0.025 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.784 -3.532 1.060 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.374 -3.332 0.532 1.00 0.07 C ATOM 0 H LEU A 109 -2.676 -4.613 -2.861 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.069 -4.356 -1.851 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.800 -5.220 -0.978 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.465 -5.739 0.032 1.00 0.08 H new ATOM 0 HG LEU A 109 -1.982 -2.866 -0.778 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.746 -2.546 1.522 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.773 -3.694 0.632 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.585 -4.294 1.814 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.371 -2.350 1.006 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.115 -4.092 1.269 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.357 -3.347 -0.277 1.00 0.07 H new ATOM 964 N SER A 110 -1.078 -7.448 -2.172 1.00 0.10 N ATOM 965 CA SER A 110 -0.605 -8.813 -2.259 1.00 0.12 C ATOM 966 C SER A 110 0.383 -8.953 -3.411 1.00 0.12 C ATOM 967 O SER A 110 1.357 -9.699 -3.326 1.00 0.14 O ATOM 968 CB SER A 110 -1.786 -9.750 -2.438 1.00 0.15 C ATOM 969 OG SER A 110 -2.742 -9.570 -1.403 1.00 1.15 O ATOM 0 H SER A 110 -2.089 -7.345 -2.258 1.00 0.10 H new ATOM 0 HA SER A 110 -0.088 -9.078 -1.337 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.254 -9.569 -3.406 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.438 -10.783 -2.440 1.00 0.15 H new ATOM 0 HG SER A 110 -3.288 -8.780 -1.596 1.00 1.15 H new ATOM 975 N ARG A 111 0.126 -8.206 -4.477 1.00 0.11 N ATOM 976 CA ARG A 111 1.026 -8.137 -5.609 1.00 0.12 C ATOM 977 C ARG A 111 2.390 -7.603 -5.194 1.00 0.11 C ATOM 978 O ARG A 111 3.406 -8.265 -5.390 1.00 0.13 O ATOM 979 CB ARG A 111 0.424 -7.240 -6.683 1.00 0.16 C ATOM 980 CG ARG A 111 -0.694 -7.897 -7.465 1.00 0.26 C ATOM 981 CD ARG A 111 -0.187 -8.598 -8.707 1.00 0.99 C ATOM 982 NE ARG A 111 0.793 -9.645 -8.406 1.00 1.81 N ATOM 983 CZ ARG A 111 1.505 -10.289 -9.330 1.00 2.57 C ATOM 984 NH1 ARG A 111 1.308 -10.054 -10.619 1.00 2.67 N ATOM 985 NH2 ARG A 111 2.398 -11.190 -8.958 1.00 3.55 N ATOM 0 H ARG A 111 -0.712 -7.634 -4.576 1.00 0.11 H new ATOM 0 HA ARG A 111 1.162 -9.144 -6.003 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.044 -6.332 -6.215 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.210 -6.937 -7.374 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.207 -8.617 -6.827 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.428 -7.143 -7.749 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.030 -9.038 -9.241 1.00 0.99 H new ATOM 0 HD3 ARG A 111 0.265 -7.864 -9.374 1.00 0.99 H new ATOM 0 HE ARG A 111 0.939 -9.896 -7.428 1.00 1.81 H new ATOM 0 HH11 ARG A 111 0.606 -9.375 -10.912 1.00 2.67 H new ATOM 0 HH12 ARG A 111 1.858 -10.552 -11.318 1.00 2.67 H new ATOM 0 HH21 ARG A 111 2.539 -11.389 -7.968 1.00 3.55 H new ATOM 0 HH22 ARG A 111 2.946 -11.686 -9.661 1.00 3.55 H new ATOM 999 N VAL A 112 2.407 -6.417 -4.595 1.00 0.10 N ATOM 1000 CA VAL A 112 3.666 -5.755 -4.284 1.00 0.10 C ATOM 1001 C VAL A 112 4.434 -6.477 -3.201 1.00 0.11 C ATOM 1002 O VAL A 112 5.633 -6.647 -3.322 1.00 0.12 O ATOM 1003 CB VAL A 112 3.501 -4.279 -3.876 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.228 -3.419 -5.084 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.403 -4.097 -2.862 1.00 0.10 C ATOM 0 H VAL A 112 1.572 -5.900 -4.318 1.00 0.10 H new ATOM 0 HA VAL A 112 4.229 -5.786 -5.217 1.00 0.10 H new ATOM 0 HB VAL A 112 4.439 -3.967 -3.417 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.115 -2.380 -4.773 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.060 -3.500 -5.784 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.312 -3.754 -5.570 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.320 -3.042 -2.601 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.459 -4.443 -3.282 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.635 -4.675 -1.967 1.00 0.10 H new ATOM 1015 N LEU A 113 3.748 -6.902 -2.152 1.00 0.10 N ATOM 1016 CA LEU A 113 4.395 -7.600 -1.052 1.00 0.11 C ATOM 1017 C LEU A 113 5.165 -8.819 -1.535 1.00 0.12 C ATOM 1018 O LEU A 113 6.360 -8.972 -1.277 1.00 0.14 O ATOM 1019 CB LEU A 113 3.354 -8.031 -0.027 1.00 0.11 C ATOM 1020 CG LEU A 113 3.235 -7.079 1.139 1.00 0.12 C ATOM 1021 CD1 LEU A 113 2.064 -6.142 0.933 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.119 -7.838 2.443 1.00 0.28 C ATOM 0 H LEU A 113 2.742 -6.776 -2.039 1.00 0.10 H new ATOM 0 HA LEU A 113 5.104 -6.910 -0.595 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.385 -8.117 -0.518 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.611 -9.022 0.347 1.00 0.11 H new ATOM 0 HG LEU A 113 4.141 -6.476 1.194 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.989 -5.461 1.781 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.214 -5.568 0.019 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.144 -6.721 0.851 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.034 -7.132 3.269 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.234 -8.473 2.417 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.005 -8.457 2.584 1.00 0.28 H new ATOM 1034 N SER A 114 4.459 -9.656 -2.251 1.00 0.13 N ATOM 1035 CA SER A 114 5.012 -10.891 -2.792 1.00 0.15 C ATOM 1036 C SER A 114 6.155 -10.612 -3.760 1.00 0.15 C ATOM 1037 O SER A 114 7.166 -11.318 -3.764 1.00 0.17 O ATOM 1038 CB SER A 114 3.915 -11.703 -3.476 1.00 0.17 C ATOM 1039 OG SER A 114 2.908 -12.067 -2.546 1.00 1.00 O ATOM 0 H SER A 114 3.477 -9.507 -2.482 1.00 0.13 H new ATOM 0 HA SER A 114 5.417 -11.471 -1.963 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.476 -11.121 -4.286 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.344 -12.599 -3.924 1.00 0.17 H new ATOM 0 HG SER A 114 2.192 -11.398 -2.561 1.00 1.00 H new ATOM 1045 N ARG A 115 6.000 -9.574 -4.568 1.00 0.13 N ATOM 1046 CA ARG A 115 7.064 -9.143 -5.455 1.00 0.14 C ATOM 1047 C ARG A 115 8.240 -8.634 -4.642 1.00 0.14 C ATOM 1048 O ARG A 115 9.383 -8.998 -4.881 1.00 0.18 O ATOM 1049 CB ARG A 115 6.578 -8.010 -6.347 1.00 0.17 C ATOM 1050 CG ARG A 115 5.582 -8.395 -7.421 1.00 0.24 C ATOM 1051 CD ARG A 115 5.022 -7.134 -8.047 1.00 0.35 C ATOM 1052 NE ARG A 115 4.165 -7.386 -9.202 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.123 -6.619 -9.531 1.00 1.19 C ATOM 1054 NH1 ARG A 115 2.791 -5.579 -8.771 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.416 -6.888 -10.620 1.00 1.83 N ATOM 0 H ARG A 115 5.148 -9.017 -4.626 1.00 0.13 H new ATOM 0 HA ARG A 115 7.366 -9.994 -6.065 1.00 0.14 H new ATOM 0 HB2 ARG A 115 6.125 -7.245 -5.716 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.444 -7.555 -6.828 1.00 0.17 H new ATOM 0 HG2 ARG A 115 6.065 -9.010 -8.180 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.777 -8.992 -6.992 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.453 -6.587 -7.295 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.848 -6.492 -8.351 1.00 0.35 H new ATOM 0 HE ARG A 115 4.374 -8.193 -9.790 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.333 -5.365 -7.934 1.00 1.20 H new ATOM 0 HH12 ARG A 115 1.994 -4.995 -9.025 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.668 -7.682 -11.208 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.620 -6.301 -10.869 1.00 1.83 H new ATOM 1069 N ALA A 116 7.923 -7.796 -3.668 1.00 0.13 N ATOM 1070 CA ALA A 116 8.923 -7.082 -2.877 1.00 0.14 C ATOM 1071 C ALA A 116 9.834 -8.034 -2.114 1.00 0.16 C ATOM 1072 O ALA A 116 11.033 -7.803 -2.003 1.00 0.18 O ATOM 1073 CB ALA A 116 8.233 -6.117 -1.927 1.00 0.15 C ATOM 0 H ALA A 116 6.961 -7.588 -3.399 1.00 0.13 H new ATOM 0 HA ALA A 116 9.557 -6.520 -3.563 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.982 -5.587 -1.339 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.647 -5.399 -2.500 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.574 -6.672 -1.259 1.00 0.15 H new ATOM 1079 N ARG A 117 9.260 -9.104 -1.587 1.00 0.19 N ATOM 1080 CA ARG A 117 10.042 -10.115 -0.890 1.00 0.24 C ATOM 1081 C ARG A 117 11.032 -10.802 -1.820 1.00 0.26 C ATOM 1082 O ARG A 117 12.120 -11.198 -1.406 1.00 0.32 O ATOM 1083 CB ARG A 117 9.129 -11.150 -0.254 1.00 0.28 C ATOM 1084 CG ARG A 117 8.769 -10.809 1.172 1.00 0.61 C ATOM 1085 CD ARG A 117 7.354 -10.273 1.298 1.00 0.34 C ATOM 1086 NE ARG A 117 6.990 -10.031 2.692 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.779 -10.271 3.197 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.831 -10.805 2.433 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.522 -9.991 4.468 1.00 2.33 N ATOM 0 H ARG A 117 8.259 -9.295 -1.628 1.00 0.19 H new ATOM 0 HA ARG A 117 10.608 -9.606 -0.110 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.217 -11.236 -0.844 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.618 -12.124 -0.278 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.875 -11.698 1.793 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.471 -10.068 1.554 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.264 -9.346 0.732 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.655 -10.984 0.857 1.00 0.34 H new ATOM 0 HE ARG A 117 7.704 -9.656 3.316 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.029 -11.032 1.459 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.906 -10.988 2.821 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.251 -9.592 5.060 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.596 -10.175 4.853 1.00 2.33 H new ATOM 1103 N SER A 118 10.652 -10.930 -3.074 1.00 0.26 N ATOM 1104 CA SER A 118 11.493 -11.576 -4.072 1.00 0.31 C ATOM 1105 C SER A 118 12.445 -10.569 -4.679 1.00 0.28 C ATOM 1106 O SER A 118 13.582 -10.884 -5.034 1.00 0.32 O ATOM 1107 CB SER A 118 10.625 -12.158 -5.176 1.00 0.37 C ATOM 1108 OG SER A 118 11.271 -13.232 -5.841 1.00 0.68 O ATOM 0 H SER A 118 9.759 -10.593 -3.433 1.00 0.26 H new ATOM 0 HA SER A 118 12.061 -12.371 -3.588 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.683 -12.506 -4.753 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.381 -11.378 -5.897 1.00 0.37 H new ATOM 0 HG SER A 118 10.684 -13.583 -6.543 1.00 0.68 H new ATOM 1114 N ARG A 119 11.956 -9.359 -4.795 1.00 0.23 N ATOM 1115 CA ARG A 119 12.658 -8.304 -5.470 1.00 0.20 C ATOM 1116 C ARG A 119 12.672 -7.038 -4.646 1.00 0.18 C ATOM 1117 O ARG A 119 11.974 -6.072 -4.954 1.00 0.17 O ATOM 1118 CB ARG A 119 11.983 -8.056 -6.802 1.00 0.25 C ATOM 1119 CG ARG A 119 12.512 -8.935 -7.902 1.00 0.33 C ATOM 1120 CD ARG A 119 13.828 -8.398 -8.432 1.00 0.33 C ATOM 1121 NE ARG A 119 14.435 -9.303 -9.405 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.406 -8.952 -10.243 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.907 -7.725 -10.213 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.879 -9.839 -11.105 1.00 1.19 N ATOM 0 H ARG A 119 11.050 -9.080 -4.419 1.00 0.23 H new ATOM 0 HA ARG A 119 13.695 -8.603 -5.622 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.911 -8.222 -6.696 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.118 -7.011 -7.083 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.652 -9.949 -7.528 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.784 -8.991 -8.711 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.663 -7.425 -8.895 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.517 -8.243 -7.602 1.00 0.33 H new ATOM 0 HE ARG A 119 14.093 -10.263 -9.444 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.548 -7.044 -9.544 1.00 1.48 H new ATOM 0 HH12 ARG A 119 16.652 -7.462 -10.859 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.499 -10.785 -11.124 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.624 -9.576 -11.750 1.00 1.19 H new ATOM 1138 N PRO A 120 13.478 -7.024 -3.589 1.00 0.19 N ATOM 1139 CA PRO A 120 13.632 -5.856 -2.731 1.00 0.19 C ATOM 1140 C PRO A 120 14.381 -4.720 -3.428 1.00 0.20 C ATOM 1141 O PRO A 120 14.517 -3.627 -2.877 1.00 0.21 O ATOM 1142 CB PRO A 120 14.422 -6.408 -1.555 1.00 0.23 C ATOM 1143 CG PRO A 120 15.223 -7.497 -2.152 1.00 0.25 C ATOM 1144 CD PRO A 120 14.288 -8.158 -3.112 1.00 0.22 C ATOM 0 HA PRO A 120 12.679 -5.412 -2.445 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.057 -5.644 -1.105 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.764 -6.779 -0.769 1.00 0.23 H new ATOM 0 HG2 PRO A 120 16.106 -7.109 -2.660 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.573 -8.196 -1.392 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.821 -8.649 -3.927 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.677 -8.919 -2.627 1.00 0.22 H new ATOM 1152 N ALA A 121 14.865 -4.975 -4.643 1.00 0.20 N ATOM 1153 CA ALA A 121 15.419 -3.904 -5.463 1.00 0.22 C ATOM 1154 C ALA A 121 14.273 -3.163 -6.111 1.00 0.19 C ATOM 1155 O ALA A 121 14.311 -1.952 -6.323 1.00 0.21 O ATOM 1156 CB ALA A 121 16.348 -4.444 -6.532 1.00 0.25 C ATOM 0 H ALA A 121 14.884 -5.899 -5.074 1.00 0.20 H new ATOM 0 HA ALA A 121 16.003 -3.237 -4.828 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.742 -3.617 -7.123 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.173 -4.978 -6.061 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.798 -5.125 -7.182 1.00 0.25 H new ATOM 1162 N LYS A 122 13.239 -3.933 -6.399 1.00 0.16 N ATOM 1163 CA LYS A 122 12.032 -3.412 -6.990 1.00 0.16 C ATOM 1164 C LYS A 122 11.101 -2.883 -5.915 1.00 0.11 C ATOM 1165 O LYS A 122 10.055 -2.332 -6.221 1.00 0.11 O ATOM 1166 CB LYS A 122 11.309 -4.482 -7.767 1.00 0.20 C ATOM 1167 CG LYS A 122 12.112 -5.060 -8.891 1.00 0.27 C ATOM 1168 CD LYS A 122 11.225 -5.315 -10.082 1.00 0.41 C ATOM 1169 CE LYS A 122 11.708 -6.491 -10.899 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.909 -6.670 -12.142 1.00 1.07 N ATOM 0 H LYS A 122 13.218 -4.938 -6.227 1.00 0.16 H new ATOM 0 HA LYS A 122 12.318 -2.604 -7.664 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.026 -5.284 -7.085 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.386 -4.065 -8.169 1.00 0.20 H new ATOM 0 HG2 LYS A 122 12.914 -4.375 -9.165 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.582 -5.990 -8.572 1.00 0.27 H new ATOM 0 HD2 LYS A 122 10.206 -5.502 -9.743 1.00 0.41 H new ATOM 0 HD3 LYS A 122 11.194 -4.424 -10.710 1.00 0.41 H new ATOM 0 HE2 LYS A 122 12.756 -6.346 -11.159 1.00 0.79 H new ATOM 0 HE3 LYS A 122 11.652 -7.398 -10.298 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 11.272 -7.487 -12.674 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.913 -6.834 -11.894 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.983 -5.814 -12.729 1.00 1.07 H new ATOM 1184 N LEU A 123 11.460 -3.114 -4.654 1.00 0.10 N ATOM 1185 CA LEU A 123 10.689 -2.621 -3.526 1.00 0.08 C ATOM 1186 C LEU A 123 10.262 -1.178 -3.718 1.00 0.08 C ATOM 1187 O LEU A 123 9.107 -0.859 -3.511 1.00 0.13 O ATOM 1188 CB LEU A 123 11.503 -2.747 -2.253 1.00 0.12 C ATOM 1189 CG LEU A 123 10.809 -2.255 -0.991 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.500 -2.984 -0.784 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.706 -2.444 0.205 1.00 0.23 C ATOM 0 H LEU A 123 12.290 -3.646 -4.391 1.00 0.10 H new ATOM 0 HA LEU A 123 9.787 -3.228 -3.453 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.774 -3.794 -2.115 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.432 -2.191 -2.378 1.00 0.12 H new ATOM 0 HG LEU A 123 10.597 -1.192 -1.107 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.019 -2.618 0.123 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.846 -2.807 -1.638 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.690 -4.053 -0.688 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.198 -2.088 1.101 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.943 -3.502 0.318 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.627 -1.879 0.062 1.00 0.23 H new ATOM 1203 N TYR A 124 11.172 -0.317 -4.149 1.00 0.11 N ATOM 1204 CA TYR A 124 10.845 1.049 -4.437 1.00 0.10 C ATOM 1205 C TYR A 124 9.782 1.143 -5.501 1.00 0.11 C ATOM 1206 O TYR A 124 8.906 1.972 -5.404 1.00 0.14 O ATOM 1207 CB TYR A 124 12.103 1.775 -4.859 1.00 0.14 C ATOM 1208 CG TYR A 124 13.042 1.868 -3.708 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.514 2.082 -2.465 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.410 1.738 -3.840 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.307 2.172 -1.357 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.231 1.824 -2.736 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.677 2.045 -1.490 1.00 1.45 C ATOM 1214 OH TYR A 124 15.489 2.126 -0.382 1.00 1.89 O ATOM 0 H TYR A 124 12.151 -0.556 -4.305 1.00 0.11 H new ATOM 0 HA TYR A 124 10.440 1.518 -3.540 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.578 1.247 -5.686 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.854 2.773 -5.219 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.444 2.182 -2.357 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.840 1.568 -4.816 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.868 2.341 -0.385 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.300 1.719 -2.844 1.00 1.74 H new ATOM 0 HH TYR A 124 16.424 2.015 -0.653 1.00 1.89 H new ATOM 1224 N VAL A 125 9.811 0.257 -6.474 1.00 0.10 N ATOM 1225 CA VAL A 125 8.826 0.288 -7.534 1.00 0.12 C ATOM 1226 C VAL A 125 7.460 0.032 -6.938 1.00 0.11 C ATOM 1227 O VAL A 125 6.469 0.656 -7.291 1.00 0.14 O ATOM 1228 CB VAL A 125 9.078 -0.808 -8.570 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.143 -0.622 -9.732 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.522 -0.839 -9.022 1.00 0.18 C ATOM 0 H VAL A 125 10.502 -0.489 -6.553 1.00 0.10 H new ATOM 0 HA VAL A 125 8.888 1.263 -8.017 1.00 0.12 H new ATOM 0 HB VAL A 125 8.881 -1.774 -8.106 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.322 -1.403 -10.471 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.112 -0.682 -9.383 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.316 0.354 -10.186 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.656 -1.632 -9.758 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.784 0.120 -9.470 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.168 -1.027 -8.164 1.00 0.18 H new ATOM 1240 N TYR A 126 7.462 -0.914 -6.030 1.00 0.07 N ATOM 1241 CA TYR A 126 6.284 -1.376 -5.320 1.00 0.08 C ATOM 1242 C TYR A 126 5.829 -0.357 -4.283 1.00 0.08 C ATOM 1243 O TYR A 126 4.635 -0.121 -4.111 1.00 0.10 O ATOM 1244 CB TYR A 126 6.668 -2.717 -4.704 1.00 0.11 C ATOM 1245 CG TYR A 126 7.169 -3.669 -5.763 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.638 -3.635 -7.050 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.181 -4.571 -5.497 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.102 -4.474 -8.036 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.647 -5.422 -6.488 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.105 -5.363 -7.751 1.00 0.28 C ATOM 1251 OH TYR A 126 8.558 -6.214 -8.731 1.00 0.36 O ATOM 0 H TYR A 126 8.313 -1.404 -5.752 1.00 0.07 H new ATOM 0 HA TYR A 126 5.429 -1.497 -5.985 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.439 -2.568 -3.948 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.805 -3.150 -4.198 1.00 0.11 H new ATOM 0 HD1 TYR A 126 5.847 -2.936 -7.278 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.613 -4.614 -4.508 1.00 0.21 H new ATOM 0 HE1 TYR A 126 6.679 -4.432 -9.029 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.433 -6.129 -6.269 1.00 0.27 H new ATOM 0 HH TYR A 126 9.282 -6.769 -8.373 1.00 0.36 H new ATOM 1261 N ILE A 127 6.791 0.250 -3.607 1.00 0.08 N ATOM 1262 CA ILE A 127 6.544 1.375 -2.718 1.00 0.11 C ATOM 1263 C ILE A 127 5.951 2.533 -3.505 1.00 0.12 C ATOM 1264 O ILE A 127 4.911 3.083 -3.144 1.00 0.14 O ATOM 1265 CB ILE A 127 7.866 1.815 -2.059 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.368 0.721 -1.137 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.712 3.115 -1.293 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.825 0.863 -0.794 1.00 0.13 C ATOM 0 H ILE A 127 7.772 -0.025 -3.660 1.00 0.08 H new ATOM 0 HA ILE A 127 5.839 1.072 -1.943 1.00 0.11 H new ATOM 0 HB ILE A 127 8.593 1.988 -2.852 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.782 0.731 -0.218 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.205 -0.248 -1.609 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.667 3.388 -0.845 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.392 3.903 -1.975 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.966 2.989 -0.509 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.124 0.050 -0.132 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.419 0.824 -1.707 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.990 1.818 -0.294 1.00 0.13 H new ATOM 1280 N ASN A 128 6.628 2.882 -4.592 1.00 0.12 N ATOM 1281 CA ASN A 128 6.136 3.901 -5.518 1.00 0.15 C ATOM 1282 C ASN A 128 4.769 3.520 -6.073 1.00 0.12 C ATOM 1283 O ASN A 128 3.895 4.372 -6.207 1.00 0.12 O ATOM 1284 CB ASN A 128 7.119 4.124 -6.681 1.00 0.20 C ATOM 1285 CG ASN A 128 8.300 5.015 -6.305 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.258 6.232 -6.483 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.356 4.411 -5.777 1.00 0.42 N ATOM 0 H ASN A 128 7.524 2.473 -4.857 1.00 0.12 H new ATOM 0 HA ASN A 128 6.046 4.830 -4.955 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.494 3.159 -7.022 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.585 4.573 -7.519 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.172 4.958 -5.502 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.352 3.400 -5.645 1.00 0.42 H new ATOM 1294 N GLU A 129 4.596 2.245 -6.398 1.00 0.11 N ATOM 1295 CA GLU A 129 3.332 1.736 -6.904 1.00 0.10 C ATOM 1296 C GLU A 129 2.218 1.992 -5.929 1.00 0.09 C ATOM 1297 O GLU A 129 1.241 2.648 -6.248 1.00 0.14 O ATOM 1298 CB GLU A 129 3.409 0.243 -7.132 1.00 0.14 C ATOM 1299 CG GLU A 129 2.832 -0.179 -8.454 1.00 0.26 C ATOM 1300 CD GLU A 129 1.482 0.433 -8.768 1.00 1.41 C ATOM 1301 OE1 GLU A 129 0.455 -0.137 -8.348 1.00 1.55 O ATOM 1302 OE2 GLU A 129 1.446 1.503 -9.400 1.00 2.29 O ATOM 0 H GLU A 129 5.327 1.538 -6.318 1.00 0.11 H new ATOM 0 HA GLU A 129 3.133 2.254 -7.843 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.450 -0.074 -7.078 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.878 -0.269 -6.330 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.532 0.089 -9.245 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.737 -1.265 -8.466 1.00 0.26 H new ATOM 1309 N LEU A 130 2.391 1.463 -4.740 1.00 0.07 N ATOM 1310 CA LEU A 130 1.390 1.557 -3.704 1.00 0.08 C ATOM 1311 C LEU A 130 1.128 3.015 -3.381 1.00 0.09 C ATOM 1312 O LEU A 130 -0.012 3.419 -3.197 1.00 0.10 O ATOM 1313 CB LEU A 130 1.855 0.812 -2.467 1.00 0.08 C ATOM 1314 CG LEU A 130 0.739 0.181 -1.650 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.073 -0.940 -2.426 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.290 -0.331 -0.340 1.00 0.08 C ATOM 0 H LEU A 130 3.231 0.955 -4.464 1.00 0.07 H new ATOM 0 HA LEU A 130 0.463 1.102 -4.052 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.552 0.030 -2.770 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.408 1.502 -1.830 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.016 0.939 -1.442 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.722 -1.377 -1.823 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.348 -0.543 -3.349 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.811 -1.706 -2.664 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.486 -0.782 0.241 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.059 -1.078 -0.536 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.723 0.497 0.221 1.00 0.08 H new ATOM 1328 N CYS A 131 2.191 3.807 -3.352 1.00 0.11 N ATOM 1329 CA CYS A 131 2.063 5.243 -3.173 1.00 0.13 C ATOM 1330 C CYS A 131 1.204 5.834 -4.289 1.00 0.13 C ATOM 1331 O CYS A 131 0.321 6.644 -4.038 1.00 0.14 O ATOM 1332 CB CYS A 131 3.443 5.903 -3.171 1.00 0.18 C ATOM 1333 SG CYS A 131 3.401 7.709 -3.213 1.00 1.39 S ATOM 0 H CYS A 131 3.151 3.477 -3.450 1.00 0.11 H new ATOM 0 HA CYS A 131 1.582 5.434 -2.214 1.00 0.13 H new ATOM 0 HB2 CYS A 131 3.984 5.584 -2.280 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.006 5.544 -4.032 1.00 0.18 H new ATOM 0 HG CYS A 131 4.335 8.183 -2.442 1.00 1.39 H new ATOM 1339 N THR A 132 1.472 5.397 -5.515 1.00 0.12 N ATOM 1340 CA THR A 132 0.732 5.850 -6.689 1.00 0.14 C ATOM 1341 C THR A 132 -0.714 5.372 -6.619 1.00 0.11 C ATOM 1342 O THR A 132 -1.641 6.116 -6.901 1.00 0.15 O ATOM 1343 CB THR A 132 1.398 5.343 -7.984 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.731 5.864 -8.071 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.611 5.757 -9.215 1.00 0.24 C ATOM 0 H THR A 132 2.206 4.720 -5.723 1.00 0.12 H new ATOM 0 HA THR A 132 0.743 6.940 -6.701 1.00 0.14 H new ATOM 0 HB THR A 132 1.421 4.254 -7.948 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.301 5.415 -7.413 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.110 5.382 -10.109 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.395 5.342 -9.160 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.553 6.844 -9.261 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.878 4.118 -6.250 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.173 3.528 -5.954 1.00 0.07 C ATOM 1355 C VAL A 133 -2.957 4.362 -4.955 1.00 0.07 C ATOM 1356 O VAL A 133 -4.126 4.687 -5.172 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.951 2.122 -5.387 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.155 1.603 -4.628 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.586 1.176 -6.500 1.00 0.10 C ATOM 0 H VAL A 133 -0.101 3.465 -6.145 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.754 3.486 -6.875 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.131 2.185 -4.672 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.943 0.604 -4.248 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.374 2.269 -3.794 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -4.016 1.562 -5.295 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.429 0.177 -6.092 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.393 1.146 -7.232 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.671 1.518 -6.983 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.301 4.711 -3.869 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.923 5.484 -2.817 1.00 0.11 C ATOM 1371 C LEU A 134 -3.150 6.912 -3.287 1.00 0.14 C ATOM 1372 O LEU A 134 -4.128 7.542 -2.924 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.045 5.435 -1.572 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.791 4.025 -1.043 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.707 4.037 0.014 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.072 3.425 -0.493 1.00 0.16 C ATOM 0 H LEU A 134 -1.326 4.468 -3.691 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.896 5.061 -2.567 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.088 5.905 -1.797 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.514 6.027 -0.786 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.450 3.404 -1.871 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.542 3.023 0.377 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.217 4.423 -0.417 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.015 4.674 0.843 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.873 2.420 -0.120 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.445 4.047 0.321 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.820 3.377 -1.284 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.252 7.384 -4.139 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.333 8.675 -4.755 1.00 0.17 C ATOM 1390 C LYS A 135 -3.519 8.719 -5.691 1.00 0.15 C ATOM 1391 O LYS A 135 -4.203 9.734 -5.831 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.046 8.870 -5.532 1.00 0.23 C ATOM 1393 CG LYS A 135 -1.090 10.039 -6.436 1.00 0.56 C ATOM 1394 CD LYS A 135 -0.819 11.261 -5.639 1.00 0.68 C ATOM 1395 CE LYS A 135 0.673 11.463 -5.400 1.00 1.32 C ATOM 1396 NZ LYS A 135 1.454 11.503 -6.666 1.00 1.82 N ATOM 0 H LYS A 135 -1.427 6.854 -4.421 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.461 9.462 -4.012 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.220 8.990 -4.832 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.841 7.973 -6.116 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.350 9.932 -7.229 1.00 0.56 H new ATOM 0 HG3 LYS A 135 -2.065 10.109 -6.917 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -1.225 12.130 -6.157 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.334 11.192 -4.681 1.00 0.68 H new ATOM 0 HE2 LYS A 135 0.827 12.393 -4.853 1.00 1.32 H new ATOM 0 HE3 LYS A 135 1.049 10.657 -4.771 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 2.355 11.996 -6.503 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 1.644 10.532 -6.987 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.910 12.008 -7.394 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.759 7.581 -6.297 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.794 7.420 -7.278 1.00 0.14 C ATOM 1412 C ALA A 136 -6.149 7.345 -6.598 1.00 0.16 C ATOM 1413 O ALA A 136 -7.162 7.795 -7.132 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.532 6.151 -8.075 1.00 0.17 C ATOM 0 H ALA A 136 -3.229 6.729 -6.116 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.795 8.276 -7.952 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.315 6.023 -8.822 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.565 6.227 -8.572 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.528 5.293 -7.402 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.154 6.783 -5.398 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.394 6.525 -4.686 1.00 0.23 C ATOM 1422 C HIS A 137 -7.364 7.156 -3.303 1.00 0.24 C ATOM 1423 O HIS A 137 -7.820 6.570 -2.321 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.651 5.020 -4.595 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.498 4.315 -5.907 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -6.755 3.243 -6.257 1.00 0.29 N flip ATOM 1427 CD2 HIS A 137 -8.106 4.744 -7.059 1.00 0.30 C flip ATOM 1428 CE1 HIS A 137 -6.924 3.041 -7.603 1.00 0.32 C flip ATOM 1429 NE2 HIS A 137 -7.740 3.972 -8.060 1.00 0.34 N flip ATOM 0 H HIS A 137 -5.312 6.497 -4.898 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.213 6.980 -5.243 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.961 4.583 -3.873 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.659 4.852 -4.215 1.00 0.24 H new ATOM 0 HD1 HIS A 137 -6.173 2.684 -5.633 1.00 0.29 H new ATOM 0 HD2 HIS A 137 -8.780 5.584 -7.133 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -6.468 2.256 -8.188 1.00 0.32 H new