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 81 HIS : no HD1:sc= 0.946 K(o=1.6,f=-5.3!) USER MOD Set 1.2: A 124 TYR OH : rot 93:sc= 0.667 USER MOD Set 2.1: A 74 CYS SG : rot -44:sc= 0.481 USER MOD Set 2.2: A 78 THR OG1 : rot -18:sc= 2.24 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.07) USER MOD Single : A 63 ASN : amide:sc= 0.639 K(o=0.64,f=-4.7!) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= -1.13 (180deg=-2.91!) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.0291 (180deg=-0.0632) USER MOD Single : A 76 MET CE :methyl -129:sc= -1.27 (180deg=-4.25!) USER MOD Single : A 77 GLN : amide:sc= -5.96! C(o=-6!,f=-6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0809 F(o=-1.9!,f=-0.081) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 93 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.08) USER MOD Single : A 96 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 73:sc= 1.27 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 110 SER OG : rot -80:sc= 1.18 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 131 CYS SG : rot 140:sc= -1.8! USER MOD Single : A 132 THR OG1 : rot 80:sc= -0.886! USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.063 X(o=-0.063,f=0.0083) USER MOD Single : A 138 SER OG : rot -59:sc= 0.732 USER MOD Single : B 27 SER OG : rot 30:sc= 0.311 USER MOD Single : B 29 SER OG : rot 180:sc= 0.00267 USER MOD Single : B 33 GLN : amide:sc= 0.421 X(o=0.42,f=-0.026) USER MOD Single : B 34 TYR OH : rot 13:sc= 0.319 USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0336 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.728 5.603 -0.927 1.00 0.57 N ATOM 118 CA TYR A 59 -13.435 6.203 -0.642 1.00 0.44 C ATOM 119 C TYR A 59 -12.474 5.919 -1.776 1.00 0.41 C ATOM 120 O TYR A 59 -11.268 6.110 -1.651 1.00 0.42 O ATOM 121 CB TYR A 59 -12.879 5.704 0.694 1.00 0.66 C ATOM 122 CG TYR A 59 -13.636 6.269 1.858 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.870 5.759 2.182 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.133 7.323 2.603 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.606 6.280 3.226 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.853 7.851 3.657 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.092 7.328 3.964 1.00 1.34 C ATOM 128 OH TYR A 59 -15.820 7.861 5.003 1.00 1.64 O ATOM 0 HA TYR A 59 -13.562 7.282 -0.557 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.926 4.615 0.724 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.828 5.980 0.776 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.271 4.936 1.609 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.166 7.737 2.357 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.577 5.871 3.464 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.449 8.668 4.237 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.313 8.590 5.418 1.00 1.64 H new ATOM 138 N LYS A 60 -13.036 5.480 -2.895 1.00 0.42 N ATOM 139 CA LYS A 60 -12.251 5.145 -4.070 1.00 0.43 C ATOM 140 C LYS A 60 -11.469 6.359 -4.556 1.00 0.40 C ATOM 141 O LYS A 60 -10.253 6.297 -4.699 1.00 0.41 O ATOM 142 CB LYS A 60 -13.164 4.617 -5.177 1.00 0.52 C ATOM 143 CG LYS A 60 -12.419 4.138 -6.410 1.00 1.16 C ATOM 144 CD LYS A 60 -13.342 3.399 -7.365 1.00 1.35 C ATOM 145 CE LYS A 60 -12.624 3.015 -8.649 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.307 4.203 -9.483 1.00 2.29 N ATOM 0 H LYS A 60 -14.041 5.348 -3.011 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.537 4.366 -3.803 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.760 3.794 -4.782 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.860 5.404 -5.467 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.972 4.991 -6.921 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.602 3.482 -6.111 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -13.727 2.502 -6.880 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.201 4.027 -7.601 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -11.703 2.486 -8.405 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.246 2.326 -9.220 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.879 3.894 -10.379 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.181 4.732 -9.680 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.639 4.816 -8.974 1.00 2.29 H new ATOM 160 N LEU A 61 -12.176 7.468 -4.772 1.00 0.45 N ATOM 161 CA LEU A 61 -11.550 8.706 -5.231 1.00 0.49 C ATOM 162 C LEU A 61 -10.385 9.092 -4.327 1.00 0.38 C ATOM 163 O LEU A 61 -9.307 9.441 -4.807 1.00 0.41 O ATOM 164 CB LEU A 61 -12.569 9.855 -5.284 1.00 0.62 C ATOM 165 CG LEU A 61 -13.269 10.200 -3.960 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.747 11.641 -3.974 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.448 9.272 -3.704 1.00 0.81 C ATOM 0 H LEU A 61 -13.185 7.533 -4.636 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.172 8.529 -6.238 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.060 10.748 -5.646 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.332 9.603 -6.020 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.544 10.069 -3.157 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.241 11.870 -3.029 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.894 12.306 -4.108 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.450 11.783 -4.795 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.924 9.540 -2.761 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.170 9.369 -4.515 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.096 8.242 -3.653 1.00 0.81 H new ATOM 179 N GLU A 62 -10.609 9.015 -3.022 1.00 0.33 N ATOM 180 CA GLU A 62 -9.576 9.307 -2.055 1.00 0.30 C ATOM 181 C GLU A 62 -8.385 8.396 -2.205 1.00 0.26 C ATOM 182 O GLU A 62 -7.283 8.855 -2.456 1.00 0.32 O ATOM 183 CB GLU A 62 -10.130 9.145 -0.668 1.00 0.41 C ATOM 184 CG GLU A 62 -10.885 10.354 -0.216 1.00 0.50 C ATOM 185 CD GLU A 62 -10.044 11.615 -0.220 1.00 1.29 C ATOM 186 OE1 GLU A 62 -8.867 11.556 0.198 1.00 1.51 O ATOM 187 OE2 GLU A 62 -10.550 12.668 -0.655 1.00 2.00 O ATOM 0 H GLU A 62 -11.505 8.750 -2.613 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.247 10.332 -2.228 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.788 8.277 -0.641 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.314 8.948 0.027 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.749 10.499 -0.864 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.266 10.182 0.790 1.00 0.50 H new ATOM 194 N ASN A 63 -8.640 7.104 -2.119 1.00 0.24 N ATOM 195 CA ASN A 63 -7.580 6.111 -2.033 1.00 0.23 C ATOM 196 C ASN A 63 -6.770 6.030 -3.323 1.00 0.21 C ATOM 197 O ASN A 63 -5.593 5.688 -3.293 1.00 0.22 O ATOM 198 CB ASN A 63 -8.168 4.744 -1.675 1.00 0.33 C ATOM 199 CG ASN A 63 -8.814 4.732 -0.298 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.385 5.443 0.608 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.860 3.934 -0.137 1.00 0.90 N ATOM 0 H ASN A 63 -9.582 6.712 -2.107 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.896 6.421 -1.244 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.909 4.463 -2.423 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.380 3.992 -1.710 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.338 3.895 0.763 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.187 3.359 -0.913 1.00 0.90 H new ATOM 208 N GLU A 64 -7.393 6.351 -4.450 1.00 0.23 N ATOM 209 CA GLU A 64 -6.687 6.382 -5.717 1.00 0.29 C ATOM 210 C GLU A 64 -5.645 7.496 -5.738 1.00 0.29 C ATOM 211 O GLU A 64 -4.479 7.256 -6.052 1.00 0.35 O ATOM 212 CB GLU A 64 -7.668 6.561 -6.869 1.00 0.38 C ATOM 213 CG GLU A 64 -8.637 5.406 -7.020 1.00 0.41 C ATOM 214 CD GLU A 64 -9.397 5.449 -8.328 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.823 5.075 -9.369 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.574 5.866 -8.323 1.00 0.69 O ATOM 0 H GLU A 64 -8.382 6.592 -4.509 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.171 5.429 -5.836 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.232 7.481 -6.716 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.109 6.680 -7.797 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.089 4.466 -6.954 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.346 5.421 -6.192 1.00 0.41 H new ATOM 223 N LYS A 65 -6.063 8.712 -5.391 1.00 0.27 N ATOM 224 CA LYS A 65 -5.148 9.854 -5.377 1.00 0.30 C ATOM 225 C LYS A 65 -4.243 9.768 -4.163 1.00 0.23 C ATOM 226 O LYS A 65 -3.131 10.285 -4.146 1.00 0.30 O ATOM 227 CB LYS A 65 -5.923 11.163 -5.356 1.00 0.39 C ATOM 228 CG LYS A 65 -7.083 11.182 -6.318 1.00 0.65 C ATOM 229 CD LYS A 65 -7.764 12.544 -6.382 1.00 1.23 C ATOM 230 CE LYS A 65 -7.019 13.524 -7.282 1.00 2.14 C ATOM 231 NZ LYS A 65 -5.749 14.021 -6.683 1.00 2.98 N ATOM 0 H LYS A 65 -7.021 8.932 -5.118 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.542 9.828 -6.283 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.294 11.342 -4.347 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.246 11.982 -5.597 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.731 10.908 -7.313 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.812 10.428 -6.019 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.783 12.421 -6.748 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.835 12.960 -5.377 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.799 13.039 -8.233 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.667 14.373 -7.499 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -5.673 15.047 -6.832 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -5.744 13.818 -5.663 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.942 13.545 -7.135 1.00 2.98 H new ATOM 245 N LEU A 66 -4.756 9.120 -3.145 1.00 0.16 N ATOM 246 CA LEU A 66 -4.024 8.879 -1.919 1.00 0.15 C ATOM 247 C LEU A 66 -2.838 7.957 -2.141 1.00 0.15 C ATOM 248 O LEU A 66 -1.707 8.287 -1.787 1.00 0.18 O ATOM 249 CB LEU A 66 -4.966 8.251 -0.912 1.00 0.15 C ATOM 250 CG LEU A 66 -5.230 9.088 0.313 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.489 8.606 1.020 1.00 0.24 C ATOM 252 CD2 LEU A 66 -4.013 9.008 1.203 1.00 0.22 C ATOM 0 H LEU A 66 -5.703 8.740 -3.142 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.639 9.831 -1.554 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.916 8.043 -1.404 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.553 7.292 -0.598 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.404 10.129 0.042 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.668 9.219 1.903 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.340 8.687 0.344 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.362 7.566 1.320 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.178 9.606 2.099 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.837 7.970 1.487 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.144 9.389 0.667 1.00 0.22 H new ATOM 264 N PHE A 67 -3.117 6.790 -2.694 1.00 0.14 N ATOM 265 CA PHE A 67 -2.096 5.799 -2.980 1.00 0.15 C ATOM 266 C PHE A 67 -0.952 6.400 -3.787 1.00 0.17 C ATOM 267 O PHE A 67 0.220 6.152 -3.496 1.00 0.20 O ATOM 268 CB PHE A 67 -2.705 4.623 -3.738 1.00 0.15 C ATOM 269 CG PHE A 67 -2.003 3.341 -3.460 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.894 2.958 -4.190 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.453 2.524 -2.447 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.247 1.771 -3.911 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.818 1.341 -2.161 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.710 0.960 -2.893 1.00 0.19 C ATOM 0 H PHE A 67 -4.060 6.503 -2.958 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.693 5.448 -2.030 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.756 4.525 -3.466 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.671 4.828 -4.808 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.531 3.592 -4.985 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.317 2.818 -1.870 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.618 1.477 -4.487 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.184 0.709 -1.365 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.207 0.031 -2.670 1.00 0.19 H new ATOM 284 N GLU A 68 -1.287 7.205 -4.788 1.00 0.18 N ATOM 285 CA GLU A 68 -0.262 7.809 -5.621 1.00 0.23 C ATOM 286 C GLU A 68 0.560 8.834 -4.843 1.00 0.19 C ATOM 287 O GLU A 68 1.734 9.014 -5.141 1.00 0.24 O ATOM 288 CB GLU A 68 -0.832 8.414 -6.907 1.00 0.40 C ATOM 289 CG GLU A 68 -1.930 9.413 -6.683 1.00 0.54 C ATOM 290 CD GLU A 68 -2.453 10.011 -7.974 1.00 1.13 C ATOM 291 OE1 GLU A 68 -3.085 9.281 -8.761 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.242 11.223 -8.206 1.00 1.81 O ATOM 0 H GLU A 68 -2.245 7.450 -5.038 1.00 0.18 H new ATOM 0 HA GLU A 68 0.407 7.003 -5.922 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -0.024 8.896 -7.458 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.211 7.609 -7.537 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.751 8.931 -6.153 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.562 10.213 -6.041 1.00 0.54 H new ATOM 299 N GLU A 69 -0.024 9.478 -3.822 1.00 0.19 N ATOM 300 CA GLU A 69 0.734 10.398 -2.985 1.00 0.22 C ATOM 301 C GLU A 69 1.947 9.703 -2.386 1.00 0.20 C ATOM 302 O GLU A 69 3.017 10.296 -2.231 1.00 0.28 O ATOM 303 CB GLU A 69 -0.151 10.928 -1.881 1.00 0.26 C ATOM 304 CG GLU A 69 -1.187 11.889 -2.393 1.00 0.34 C ATOM 305 CD GLU A 69 -0.670 13.309 -2.440 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.064 13.690 -3.461 1.00 1.31 O ATOM 307 OE2 GLU A 69 -0.889 14.061 -1.467 1.00 1.78 O ATOM 0 H GLU A 69 -1.006 9.376 -3.564 1.00 0.19 H new ATOM 0 HA GLU A 69 1.081 11.227 -3.603 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.646 10.094 -1.383 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.465 11.426 -1.132 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.501 11.585 -3.391 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.069 11.845 -1.754 1.00 0.34 H new ATOM 314 N PHE A 70 1.762 8.438 -2.062 1.00 0.15 N ATOM 315 CA PHE A 70 2.823 7.611 -1.517 1.00 0.13 C ATOM 316 C PHE A 70 3.840 7.277 -2.605 1.00 0.13 C ATOM 317 O PHE A 70 5.043 7.396 -2.397 1.00 0.14 O ATOM 318 CB PHE A 70 2.206 6.340 -0.940 1.00 0.12 C ATOM 319 CG PHE A 70 3.122 5.547 -0.056 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.306 5.042 -0.547 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.771 5.271 1.251 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.130 4.277 0.245 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.594 4.512 2.058 1.00 0.11 C ATOM 324 CZ PHE A 70 4.775 4.011 1.553 1.00 0.11 C ATOM 0 H PHE A 70 0.871 7.953 -2.169 1.00 0.15 H new ATOM 0 HA PHE A 70 3.346 8.148 -0.725 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.317 6.610 -0.371 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.877 5.705 -1.763 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.591 5.250 -1.568 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.842 5.654 1.646 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.053 3.885 -0.155 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.314 4.311 3.082 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.421 3.412 2.178 1.00 0.11 H new ATOM 334 N LEU A 71 3.346 6.885 -3.766 1.00 0.14 N ATOM 335 CA LEU A 71 4.194 6.463 -4.864 1.00 0.15 C ATOM 336 C LEU A 71 5.022 7.595 -5.417 1.00 0.16 C ATOM 337 O LEU A 71 6.196 7.425 -5.728 1.00 0.18 O ATOM 338 CB LEU A 71 3.321 5.900 -5.951 1.00 0.17 C ATOM 339 CG LEU A 71 2.675 4.588 -5.586 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.835 4.098 -6.734 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.754 3.595 -5.216 1.00 0.16 C ATOM 0 H LEU A 71 2.348 6.851 -3.973 1.00 0.14 H new ATOM 0 HA LEU A 71 4.888 5.711 -4.489 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.543 6.624 -6.192 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.919 5.763 -6.852 1.00 0.17 H new ATOM 0 HG LEU A 71 2.016 4.714 -4.727 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.370 3.149 -6.466 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.060 4.832 -6.957 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.465 3.958 -7.612 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.296 2.642 -4.950 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.423 3.452 -6.064 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.322 3.974 -4.366 1.00 0.16 H new ATOM 353 N GLU A 72 4.401 8.742 -5.555 1.00 0.16 N ATOM 354 CA GLU A 72 5.075 9.923 -6.053 1.00 0.19 C ATOM 355 C GLU A 72 6.214 10.309 -5.119 1.00 0.18 C ATOM 356 O GLU A 72 7.242 10.831 -5.550 1.00 0.21 O ATOM 357 CB GLU A 72 4.054 11.034 -6.223 1.00 0.24 C ATOM 358 CG GLU A 72 2.954 10.646 -7.202 1.00 0.29 C ATOM 359 CD GLU A 72 3.396 10.759 -8.644 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.517 11.893 -9.150 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.633 9.711 -9.280 1.00 1.17 O ATOM 0 H GLU A 72 3.417 8.886 -5.327 1.00 0.16 H new ATOM 0 HA GLU A 72 5.524 9.728 -7.027 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.612 11.273 -5.256 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.554 11.936 -6.576 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.638 9.622 -7.001 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.086 11.285 -7.040 1.00 0.29 H new ATOM 368 N LEU A 73 6.024 10.025 -3.840 1.00 0.16 N ATOM 369 CA LEU A 73 7.085 10.138 -2.862 1.00 0.16 C ATOM 370 C LEU A 73 8.086 9.002 -3.050 1.00 0.15 C ATOM 371 O LEU A 73 9.297 9.215 -3.021 1.00 0.18 O ATOM 372 CB LEU A 73 6.480 10.068 -1.463 1.00 0.16 C ATOM 373 CG LEU A 73 7.462 9.782 -0.337 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.902 11.069 0.340 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.832 8.819 0.651 1.00 0.16 C ATOM 0 H LEU A 73 5.133 9.711 -3.456 1.00 0.16 H new ATOM 0 HA LEU A 73 7.603 11.088 -2.991 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.981 11.014 -1.254 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.712 9.295 -1.457 1.00 0.16 H new ATOM 0 HG LEU A 73 8.357 9.318 -0.751 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.604 10.837 1.141 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.386 11.717 -0.390 1.00 0.23 H new ATOM 0 HD13 LEU A 73 7.032 11.577 0.755 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.535 8.614 1.458 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.926 9.262 1.064 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.582 7.888 0.142 1.00 0.16 H new ATOM 387 N CYS A 74 7.565 7.797 -3.260 1.00 0.13 N ATOM 388 CA CYS A 74 8.385 6.609 -3.395 1.00 0.13 C ATOM 389 C CYS A 74 9.334 6.738 -4.591 1.00 0.15 C ATOM 390 O CYS A 74 10.456 6.244 -4.549 1.00 0.18 O ATOM 391 CB CYS A 74 7.476 5.384 -3.535 1.00 0.16 C ATOM 392 SG CYS A 74 8.278 3.804 -3.208 1.00 0.50 S ATOM 0 H CYS A 74 6.563 7.622 -3.341 1.00 0.13 H new ATOM 0 HA CYS A 74 9.002 6.490 -2.504 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.633 5.495 -2.853 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.068 5.366 -4.546 1.00 0.16 H new ATOM 0 HG CYS A 74 9.441 3.779 -3.789 1.00 0.50 H new ATOM 398 N LYS A 75 8.888 7.420 -5.647 1.00 0.18 N ATOM 399 CA LYS A 75 9.736 7.718 -6.794 1.00 0.22 C ATOM 400 C LYS A 75 11.003 8.476 -6.397 1.00 0.22 C ATOM 401 O LYS A 75 12.032 8.376 -7.061 1.00 0.26 O ATOM 402 CB LYS A 75 8.973 8.532 -7.824 1.00 0.28 C ATOM 403 CG LYS A 75 8.514 7.679 -8.974 1.00 0.57 C ATOM 404 CD LYS A 75 7.249 6.919 -8.643 1.00 0.61 C ATOM 405 CE LYS A 75 5.996 7.732 -8.933 1.00 0.38 C ATOM 406 NZ LYS A 75 5.780 7.932 -10.391 1.00 0.96 N ATOM 0 H LYS A 75 7.936 7.777 -5.728 1.00 0.18 H new ATOM 0 HA LYS A 75 10.032 6.760 -7.221 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.110 9.001 -7.351 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.608 9.335 -8.197 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.341 8.309 -9.847 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.302 6.974 -9.240 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.221 5.995 -9.220 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.262 6.638 -7.590 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.130 7.227 -8.505 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.073 8.702 -8.443 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.802 8.243 -10.558 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.438 8.656 -10.743 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.949 7.037 -10.893 1.00 0.96 H new ATOM 420 N MET A 76 10.925 9.230 -5.309 1.00 0.22 N ATOM 421 CA MET A 76 12.040 10.058 -4.881 1.00 0.26 C ATOM 422 C MET A 76 12.889 9.283 -3.894 1.00 0.25 C ATOM 423 O MET A 76 14.113 9.393 -3.866 1.00 0.32 O ATOM 424 CB MET A 76 11.548 11.343 -4.201 1.00 0.29 C ATOM 425 CG MET A 76 10.311 11.963 -4.819 1.00 0.27 C ATOM 426 SD MET A 76 9.860 13.528 -4.042 1.00 0.32 S ATOM 427 CE MET A 76 9.541 12.993 -2.363 1.00 0.35 C ATOM 0 H MET A 76 10.102 9.284 -4.709 1.00 0.22 H new ATOM 0 HA MET A 76 12.621 10.327 -5.763 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.342 11.125 -3.153 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.353 12.078 -4.221 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.483 12.126 -5.883 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.478 11.265 -4.734 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.568 13.364 -2.041 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.546 11.904 -2.321 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.315 13.385 -1.703 1.00 0.35 H new ATOM 437 N GLN A 77 12.207 8.493 -3.089 1.00 0.21 N ATOM 438 CA GLN A 77 12.836 7.767 -2.006 1.00 0.22 C ATOM 439 C GLN A 77 13.471 6.482 -2.505 1.00 0.21 C ATOM 440 O GLN A 77 14.670 6.269 -2.350 1.00 0.24 O ATOM 441 CB GLN A 77 11.791 7.429 -0.954 1.00 0.23 C ATOM 442 CG GLN A 77 10.923 8.596 -0.523 1.00 0.30 C ATOM 443 CD GLN A 77 11.639 9.614 0.337 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.844 9.835 0.210 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.886 10.234 1.227 1.00 0.48 N ATOM 0 H GLN A 77 11.202 8.337 -3.168 1.00 0.21 H new ATOM 0 HA GLN A 77 13.616 8.397 -1.579 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.147 6.639 -1.342 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.296 7.026 -0.076 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.536 9.095 -1.412 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.064 8.212 0.027 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.892 10.016 1.294 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.299 10.931 1.847 1.00 0.48 H new ATOM 454 N THR A 78 12.659 5.626 -3.107 1.00 0.18 N ATOM 455 CA THR A 78 13.130 4.351 -3.602 1.00 0.20 C ATOM 456 C THR A 78 13.655 4.499 -5.020 1.00 0.22 C ATOM 457 O THR A 78 13.441 3.646 -5.871 1.00 0.24 O ATOM 458 CB THR A 78 12.009 3.293 -3.565 1.00 0.20 C ATOM 459 OG1 THR A 78 10.936 3.670 -4.438 1.00 0.56 O ATOM 460 CG2 THR A 78 11.471 3.142 -2.153 1.00 0.42 C ATOM 0 H THR A 78 11.666 5.797 -3.263 1.00 0.18 H new ATOM 0 HA THR A 78 13.939 4.016 -2.953 1.00 0.20 H new ATOM 0 HB THR A 78 12.429 2.343 -3.897 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.003 4.625 -4.645 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.680 2.392 -2.143 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.276 2.829 -1.488 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.070 4.096 -1.813 1.00 0.42 H new ATOM 468 N ALA A 79 14.342 5.599 -5.262 1.00 0.25 N ATOM 469 CA ALA A 79 14.915 5.872 -6.564 1.00 0.30 C ATOM 470 C ALA A 79 16.006 4.853 -6.885 1.00 0.34 C ATOM 471 O ALA A 79 16.152 4.409 -8.024 1.00 0.42 O ATOM 472 CB ALA A 79 15.450 7.291 -6.586 1.00 0.32 C ATOM 0 H ALA A 79 14.517 6.324 -4.566 1.00 0.25 H new ATOM 0 HA ALA A 79 14.148 5.781 -7.333 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.883 7.502 -7.564 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.636 7.990 -6.391 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.216 7.403 -5.819 1.00 0.32 H new ATOM 478 N ASP A 80 16.752 4.468 -5.855 1.00 0.35 N ATOM 479 CA ASP A 80 17.787 3.442 -5.975 1.00 0.44 C ATOM 480 C ASP A 80 17.169 2.043 -6.022 1.00 0.38 C ATOM 481 O ASP A 80 17.805 1.080 -6.444 1.00 0.44 O ATOM 482 CB ASP A 80 18.758 3.550 -4.796 1.00 0.59 C ATOM 483 CG ASP A 80 19.871 2.522 -4.843 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.701 2.576 -5.774 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.924 1.663 -3.940 1.00 2.29 O ATOM 0 H ASP A 80 16.659 4.855 -4.916 1.00 0.35 H new ATOM 0 HA ASP A 80 18.329 3.603 -6.907 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.195 4.549 -4.784 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.203 3.433 -3.865 1.00 0.59 H new ATOM 490 N HIS A 81 15.916 1.942 -5.603 1.00 0.35 N ATOM 491 CA HIS A 81 15.204 0.671 -5.573 1.00 0.39 C ATOM 492 C HIS A 81 13.851 0.815 -6.271 1.00 0.34 C ATOM 493 O HIS A 81 12.806 0.694 -5.631 1.00 0.30 O ATOM 494 CB HIS A 81 14.986 0.216 -4.124 1.00 0.49 C ATOM 495 CG HIS A 81 16.245 0.050 -3.326 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.525 0.779 -2.186 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.292 -0.779 -3.501 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.694 0.399 -1.700 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.176 -0.546 -2.481 1.00 1.12 N ATOM 0 H HIS A 81 15.365 2.735 -5.275 1.00 0.35 H new ATOM 0 HA HIS A 81 15.804 -0.075 -6.094 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.346 0.941 -3.622 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.448 -0.732 -4.132 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.412 -1.496 -4.299 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.171 0.795 -0.816 1.00 2.11 H new ATOM 0 HE2 HIS A 81 19.065 -1.027 -2.348 1.00 1.12 H new ATOM 508 N PRO A 82 13.858 1.066 -7.593 1.00 0.39 N ATOM 509 CA PRO A 82 12.652 1.436 -8.358 1.00 0.39 C ATOM 510 C PRO A 82 11.670 0.288 -8.589 1.00 0.35 C ATOM 511 O PRO A 82 10.843 0.347 -9.497 1.00 0.39 O ATOM 512 CB PRO A 82 13.230 1.903 -9.688 1.00 0.50 C ATOM 513 CG PRO A 82 14.481 1.126 -9.843 1.00 0.53 C ATOM 514 CD PRO A 82 15.049 1.007 -8.464 1.00 0.48 C ATOM 0 HA PRO A 82 12.061 2.177 -7.819 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.540 1.712 -10.510 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.427 2.975 -9.680 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.283 0.144 -10.272 1.00 0.53 H new ATOM 0 HG3 PRO A 82 15.177 1.632 -10.512 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.595 0.073 -8.334 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.746 1.816 -8.246 1.00 0.48 H new ATOM 522 N GLU A 83 11.758 -0.747 -7.775 1.00 0.29 N ATOM 523 CA GLU A 83 10.842 -1.874 -7.881 1.00 0.26 C ATOM 524 C GLU A 83 9.607 -1.643 -7.019 1.00 0.19 C ATOM 525 O GLU A 83 8.529 -2.165 -7.299 1.00 0.22 O ATOM 526 CB GLU A 83 11.529 -3.166 -7.466 1.00 0.33 C ATOM 527 CG GLU A 83 12.679 -3.546 -8.369 1.00 0.49 C ATOM 528 CD GLU A 83 12.276 -3.605 -9.825 1.00 1.32 C ATOM 529 OE1 GLU A 83 11.493 -4.505 -10.193 1.00 1.72 O ATOM 530 OE2 GLU A 83 12.734 -2.746 -10.606 1.00 2.05 O ATOM 0 H GLU A 83 12.452 -0.834 -7.033 1.00 0.29 H new ATOM 0 HA GLU A 83 10.533 -1.961 -8.923 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.896 -3.063 -6.445 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.797 -3.974 -7.461 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.486 -2.824 -8.248 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.071 -4.516 -8.064 1.00 0.49 H new ATOM 537 N VAL A 84 9.782 -0.841 -5.973 1.00 0.15 N ATOM 538 CA VAL A 84 8.741 -0.605 -4.976 1.00 0.11 C ATOM 539 C VAL A 84 7.468 -0.025 -5.581 1.00 0.11 C ATOM 540 O VAL A 84 6.382 -0.573 -5.420 1.00 0.13 O ATOM 541 CB VAL A 84 9.222 0.394 -3.921 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.223 0.446 -2.796 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.611 0.055 -3.414 1.00 0.14 C ATOM 0 H VAL A 84 10.649 -0.336 -5.792 1.00 0.15 H new ATOM 0 HA VAL A 84 8.526 -1.580 -4.539 1.00 0.11 H new ATOM 0 HB VAL A 84 9.295 1.380 -4.380 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.561 1.156 -2.042 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.255 0.762 -3.184 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.129 -0.543 -2.347 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.915 0.788 -2.667 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.602 -0.938 -2.965 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.316 0.071 -4.245 1.00 0.14 H new ATOM 553 N VAL A 85 7.623 1.104 -6.251 1.00 0.11 N ATOM 554 CA VAL A 85 6.499 1.822 -6.849 1.00 0.13 C ATOM 555 C VAL A 85 5.677 0.913 -7.775 1.00 0.15 C ATOM 556 O VAL A 85 4.470 0.776 -7.582 1.00 0.16 O ATOM 557 CB VAL A 85 6.985 3.073 -7.612 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.819 3.949 -8.019 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.968 3.856 -6.760 1.00 0.15 C ATOM 0 H VAL A 85 8.527 1.552 -6.398 1.00 0.11 H new ATOM 0 HA VAL A 85 5.850 2.145 -6.035 1.00 0.13 H new ATOM 0 HB VAL A 85 7.490 2.745 -8.520 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.190 4.823 -8.555 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.148 3.384 -8.666 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.278 4.271 -7.129 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.304 4.736 -7.308 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.481 4.168 -5.836 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.826 3.227 -6.523 1.00 0.15 H new ATOM 569 N PRO A 86 6.306 0.271 -8.787 1.00 0.17 N ATOM 570 CA PRO A 86 5.609 -0.687 -9.656 1.00 0.20 C ATOM 571 C PRO A 86 4.970 -1.826 -8.867 1.00 0.18 C ATOM 572 O PRO A 86 3.909 -2.330 -9.239 1.00 0.20 O ATOM 573 CB PRO A 86 6.710 -1.224 -10.569 1.00 0.23 C ATOM 574 CG PRO A 86 7.761 -0.174 -10.558 1.00 0.22 C ATOM 575 CD PRO A 86 7.715 0.444 -9.190 1.00 0.17 C ATOM 0 HA PRO A 86 4.788 -0.215 -10.196 1.00 0.20 H new ATOM 0 HB2 PRO A 86 7.098 -2.175 -10.204 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.336 -1.399 -11.578 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.743 -0.603 -10.760 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.575 0.573 -11.330 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.395 -0.055 -8.500 1.00 0.17 H new ATOM 0 HD3 PRO A 86 8.000 1.496 -9.214 1.00 0.17 H new ATOM 583 N PHE A 87 5.620 -2.228 -7.780 1.00 0.16 N ATOM 584 CA PHE A 87 5.079 -3.259 -6.903 1.00 0.15 C ATOM 585 C PHE A 87 3.783 -2.766 -6.259 1.00 0.14 C ATOM 586 O PHE A 87 2.742 -3.417 -6.371 1.00 0.16 O ATOM 587 CB PHE A 87 6.110 -3.634 -5.823 1.00 0.17 C ATOM 588 CG PHE A 87 5.750 -4.822 -4.964 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.491 -5.399 -5.015 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.686 -5.356 -4.097 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.173 -6.480 -4.219 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.375 -6.436 -3.300 1.00 0.25 C ATOM 593 CZ PHE A 87 5.116 -6.999 -3.360 1.00 0.38 C ATOM 0 H PHE A 87 6.523 -1.855 -7.485 1.00 0.16 H new ATOM 0 HA PHE A 87 4.860 -4.149 -7.493 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.064 -3.836 -6.311 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.261 -2.771 -5.174 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.748 -4.997 -5.688 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.673 -4.921 -4.044 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.187 -6.918 -4.269 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.117 -6.842 -2.628 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.871 -7.845 -2.735 1.00 0.38 H new ATOM 603 N LEU A 88 3.847 -1.615 -5.597 1.00 0.12 N ATOM 604 CA LEU A 88 2.676 -1.050 -4.940 1.00 0.13 C ATOM 605 C LEU A 88 1.544 -0.834 -5.934 1.00 0.14 C ATOM 606 O LEU A 88 0.382 -1.112 -5.629 1.00 0.16 O ATOM 607 CB LEU A 88 3.026 0.261 -4.243 1.00 0.13 C ATOM 608 CG LEU A 88 3.975 0.129 -3.059 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.062 1.453 -2.314 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.511 -0.992 -2.136 1.00 0.20 C ATOM 0 H LEU A 88 4.696 -1.057 -5.502 1.00 0.12 H new ATOM 0 HA LEU A 88 2.339 -1.763 -4.188 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.473 0.935 -4.974 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.104 0.729 -3.899 1.00 0.13 H new ATOM 0 HG LEU A 88 4.971 -0.124 -3.423 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.742 1.351 -1.469 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.433 2.226 -2.987 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.073 1.732 -1.952 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.197 -1.077 -1.293 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.510 -0.769 -1.768 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.494 -1.933 -2.686 1.00 0.20 H new ATOM 622 N TYR A 89 1.890 -0.355 -7.126 1.00 0.16 N ATOM 623 CA TYR A 89 0.903 -0.205 -8.197 1.00 0.20 C ATOM 624 C TYR A 89 0.224 -1.540 -8.462 1.00 0.21 C ATOM 625 O TYR A 89 -1.000 -1.653 -8.438 1.00 0.25 O ATOM 626 CB TYR A 89 1.549 0.241 -9.513 1.00 0.22 C ATOM 627 CG TYR A 89 1.680 1.732 -9.724 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.567 2.523 -9.981 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.925 2.337 -9.714 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.695 3.881 -10.214 1.00 0.42 C ATOM 631 CE2 TYR A 89 3.064 3.687 -9.954 1.00 0.37 C ATOM 632 CZ TYR A 89 1.949 4.456 -10.202 1.00 0.43 C ATOM 633 OH TYR A 89 2.095 5.802 -10.450 1.00 0.54 O ATOM 0 H TYR A 89 2.836 -0.066 -7.375 1.00 0.16 H new ATOM 0 HA TYR A 89 0.191 0.551 -7.866 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.543 -0.202 -9.573 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.966 -0.171 -10.337 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.414 2.071 -9.999 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.803 1.741 -9.515 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.179 4.486 -10.404 1.00 0.42 H new ATOM 0 HE2 TYR A 89 4.044 4.140 -9.948 1.00 0.37 H new ATOM 0 HH TYR A 89 3.044 6.042 -10.402 1.00 0.54 H new ATOM 643 N ASN A 90 1.055 -2.552 -8.670 1.00 0.19 N ATOM 644 CA ASN A 90 0.603 -3.882 -9.048 1.00 0.23 C ATOM 645 C ASN A 90 -0.284 -4.478 -7.968 1.00 0.22 C ATOM 646 O ASN A 90 -1.359 -5.006 -8.251 1.00 0.27 O ATOM 647 CB ASN A 90 1.814 -4.780 -9.269 1.00 0.27 C ATOM 648 CG ASN A 90 1.532 -5.994 -10.132 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.309 -6.489 -10.102 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.419 -6.487 -10.822 1.00 0.67 N flip ATOM 0 H ASN A 90 2.068 -2.472 -8.580 1.00 0.19 H new ATOM 0 HA ASN A 90 0.022 -3.807 -9.967 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.608 -4.194 -9.732 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.187 -5.114 -8.301 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.353 -6.078 -10.820 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.222 -7.306 -11.397 1.00 0.67 H new ATOM 657 N ARG A 91 0.175 -4.384 -6.730 1.00 0.19 N ATOM 658 CA ARG A 91 -0.533 -4.965 -5.603 1.00 0.20 C ATOM 659 C ARG A 91 -1.893 -4.303 -5.416 1.00 0.20 C ATOM 660 O ARG A 91 -2.867 -4.969 -5.073 1.00 0.22 O ATOM 661 CB ARG A 91 0.313 -4.838 -4.331 1.00 0.22 C ATOM 662 CG ARG A 91 -0.328 -5.450 -3.092 1.00 0.26 C ATOM 663 CD ARG A 91 -0.685 -6.910 -3.290 1.00 0.36 C ATOM 664 NE ARG A 91 0.450 -7.694 -3.777 1.00 0.80 N ATOM 665 CZ ARG A 91 0.397 -9.002 -4.010 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.744 -9.652 -3.863 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.471 -9.660 -4.413 1.00 1.25 N ATOM 0 H ARG A 91 1.041 -3.907 -6.480 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.703 -6.022 -5.806 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.278 -5.315 -4.501 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.508 -3.782 -4.142 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.356 -5.357 -2.248 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.227 -4.890 -2.837 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.035 -7.328 -2.346 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.509 -6.988 -3.999 1.00 0.36 H new ATOM 0 HE ARG A 91 1.332 -7.210 -3.947 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.583 -9.150 -3.571 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.786 -10.655 -4.041 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.352 -9.164 -4.548 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.418 -10.663 -4.589 1.00 1.25 H new ATOM 681 N GLN A 92 -1.960 -2.998 -5.663 1.00 0.19 N ATOM 682 CA GLN A 92 -3.210 -2.264 -5.518 1.00 0.21 C ATOM 683 C GLN A 92 -4.198 -2.680 -6.599 1.00 0.24 C ATOM 684 O GLN A 92 -5.396 -2.761 -6.360 1.00 0.26 O ATOM 685 CB GLN A 92 -2.980 -0.756 -5.605 1.00 0.23 C ATOM 686 CG GLN A 92 -4.187 0.054 -5.161 1.00 0.34 C ATOM 687 CD GLN A 92 -4.239 1.431 -5.788 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.217 2.009 -6.143 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.439 1.967 -5.917 1.00 0.78 N ATOM 0 H GLN A 92 -1.167 -2.431 -5.963 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.618 -2.502 -4.536 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.122 -0.488 -4.988 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.729 -0.491 -6.632 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.096 -0.490 -5.416 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.170 0.155 -4.076 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.264 1.452 -5.609 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.541 2.896 -6.325 1.00 0.78 H new ATOM 698 N GLN A 93 -3.680 -2.948 -7.791 1.00 0.26 N ATOM 699 CA GLN A 93 -4.528 -3.286 -8.929 1.00 0.32 C ATOM 700 C GLN A 93 -5.050 -4.710 -8.803 1.00 0.34 C ATOM 701 O GLN A 93 -6.105 -5.045 -9.337 1.00 0.40 O ATOM 702 CB GLN A 93 -3.766 -3.142 -10.249 1.00 0.36 C ATOM 703 CG GLN A 93 -3.149 -1.777 -10.475 1.00 0.38 C ATOM 704 CD GLN A 93 -4.140 -0.653 -10.337 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.799 -0.254 -11.297 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.239 -0.127 -9.136 1.00 0.57 N ATOM 0 H GLN A 93 -2.681 -2.938 -7.995 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.367 -2.590 -8.930 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.977 -3.893 -10.282 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.447 -3.359 -11.072 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.338 -1.628 -9.762 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.708 -1.744 -11.471 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.672 -0.492 -8.371 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.883 0.646 -8.969 1.00 0.57 H new ATOM 715 N ARG A 94 -4.293 -5.549 -8.108 1.00 0.33 N ATOM 716 CA ARG A 94 -4.691 -6.937 -7.904 1.00 0.38 C ATOM 717 C ARG A 94 -5.601 -7.056 -6.695 1.00 0.32 C ATOM 718 O ARG A 94 -6.293 -8.060 -6.521 1.00 0.46 O ATOM 719 CB ARG A 94 -3.475 -7.847 -7.730 1.00 0.47 C ATOM 720 CG ARG A 94 -2.549 -7.856 -8.931 1.00 0.70 C ATOM 721 CD ARG A 94 -3.300 -8.111 -10.230 1.00 0.95 C ATOM 722 NE ARG A 94 -4.078 -9.352 -10.205 1.00 1.67 N ATOM 723 CZ ARG A 94 -3.656 -10.510 -10.718 1.00 2.40 C ATOM 724 NH1 ARG A 94 -2.420 -10.622 -11.188 1.00 2.73 N ATOM 725 NH2 ARG A 94 -4.466 -11.563 -10.739 1.00 3.24 N ATOM 0 H ARG A 94 -3.404 -5.295 -7.678 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.232 -7.258 -8.794 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.915 -7.527 -6.852 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.817 -8.864 -7.537 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.029 -6.900 -8.995 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.788 -8.624 -8.796 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.968 -7.273 -10.428 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.587 -8.151 -11.054 1.00 0.95 H new ATOM 0 HE ARG A 94 -5.000 -9.330 -9.768 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -1.789 -9.822 -11.158 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -2.101 -11.509 -11.579 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -5.411 -11.487 -10.363 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -4.143 -12.447 -11.131 1.00 3.24 H new ATOM 739 N ALA A 95 -5.568 -6.034 -5.853 1.00 0.28 N ATOM 740 CA ALA A 95 -6.432 -5.960 -4.695 1.00 0.25 C ATOM 741 C ALA A 95 -7.876 -5.714 -5.120 1.00 0.26 C ATOM 742 O ALA A 95 -8.138 -4.983 -6.076 1.00 0.36 O ATOM 743 CB ALA A 95 -5.942 -4.857 -3.769 1.00 0.25 C ATOM 0 H ALA A 95 -4.941 -5.236 -5.957 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.401 -6.909 -4.160 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.592 -4.800 -2.896 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.923 -5.076 -3.449 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.959 -3.904 -4.297 1.00 0.25 H new ATOM 749 N HIS A 96 -8.804 -6.354 -4.418 1.00 0.29 N ATOM 750 CA HIS A 96 -10.226 -6.209 -4.700 1.00 0.29 C ATOM 751 C HIS A 96 -10.664 -4.751 -4.554 1.00 0.27 C ATOM 752 O HIS A 96 -10.366 -4.094 -3.552 1.00 0.29 O ATOM 753 CB HIS A 96 -11.048 -7.092 -3.764 1.00 0.33 C ATOM 754 CG HIS A 96 -12.477 -7.212 -4.178 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.415 -6.311 -3.750 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.068 -8.118 -4.992 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.549 -6.683 -4.310 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.390 -7.770 -5.071 1.00 0.50 N ATOM 0 H HIS A 96 -8.594 -6.983 -3.643 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.399 -6.523 -5.729 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.602 -8.086 -3.727 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.001 -6.684 -2.754 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.590 -8.953 -5.483 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.490 -6.172 -4.171 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.114 -8.248 -5.607 1.00 0.50 H new ATOM 766 N SER A 97 -11.415 -4.279 -5.540 1.00 0.32 N ATOM 767 CA SER A 97 -11.732 -2.862 -5.679 1.00 0.37 C ATOM 768 C SER A 97 -12.659 -2.328 -4.580 1.00 0.33 C ATOM 769 O SER A 97 -12.789 -1.115 -4.422 1.00 0.39 O ATOM 770 CB SER A 97 -12.364 -2.618 -7.048 1.00 0.48 C ATOM 771 OG SER A 97 -11.541 -3.127 -8.086 1.00 1.46 O ATOM 0 H SER A 97 -11.822 -4.867 -6.267 1.00 0.32 H new ATOM 0 HA SER A 97 -10.793 -2.318 -5.580 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.344 -3.093 -7.090 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.521 -1.549 -7.195 1.00 0.48 H new ATOM 0 HG SER A 97 -11.967 -2.961 -8.953 1.00 1.46 H new ATOM 777 N LEU A 98 -13.296 -3.207 -3.813 1.00 0.29 N ATOM 778 CA LEU A 98 -14.238 -2.751 -2.802 1.00 0.32 C ATOM 779 C LEU A 98 -13.509 -2.196 -1.590 1.00 0.35 C ATOM 780 O LEU A 98 -13.824 -1.107 -1.113 1.00 0.43 O ATOM 781 CB LEU A 98 -15.182 -3.871 -2.381 1.00 0.35 C ATOM 782 CG LEU A 98 -16.352 -4.135 -3.335 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.282 -5.186 -2.753 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.114 -2.850 -3.616 1.00 0.67 C ATOM 0 H LEU A 98 -13.180 -4.219 -3.871 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.832 -1.952 -3.246 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.605 -4.790 -2.277 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.584 -3.634 -1.396 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.950 -4.509 -4.277 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.108 -5.363 -3.442 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.732 -6.114 -2.601 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.674 -4.836 -1.798 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.941 -3.058 -4.295 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.505 -2.447 -2.682 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.444 -2.122 -4.073 1.00 0.67 H new ATOM 796 N PHE A 99 -12.528 -2.942 -1.104 1.00 0.32 N ATOM 797 CA PHE A 99 -11.715 -2.494 0.021 1.00 0.34 C ATOM 798 C PHE A 99 -10.998 -1.193 -0.331 1.00 0.34 C ATOM 799 O PHE A 99 -10.907 -0.277 0.487 1.00 0.39 O ATOM 800 CB PHE A 99 -10.702 -3.574 0.409 1.00 0.36 C ATOM 801 CG PHE A 99 -9.634 -3.090 1.348 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.965 -2.572 2.591 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.300 -3.145 0.982 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.984 -2.120 3.449 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.315 -2.694 1.836 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.658 -2.181 3.071 1.00 0.58 C ATOM 0 H PHE A 99 -12.274 -3.860 -1.469 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.369 -2.311 0.874 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.231 -4.406 0.873 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.231 -3.960 -0.495 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.001 -2.522 2.890 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.027 -3.546 0.017 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.253 -1.719 4.415 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.278 -2.742 1.539 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.889 -1.827 3.741 1.00 0.58 H new ATOM 816 N LEU A 100 -10.515 -1.122 -1.560 1.00 0.31 N ATOM 817 CA LEU A 100 -9.823 0.060 -2.054 1.00 0.36 C ATOM 818 C LEU A 100 -10.758 1.268 -2.122 1.00 0.45 C ATOM 819 O LEU A 100 -10.310 2.404 -2.245 1.00 0.79 O ATOM 820 CB LEU A 100 -9.249 -0.239 -3.432 1.00 0.37 C ATOM 821 CG LEU A 100 -8.523 -1.577 -3.530 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.119 -1.855 -4.962 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.309 -1.606 -2.614 1.00 0.70 C ATOM 0 H LEU A 100 -10.590 -1.877 -2.242 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.018 0.307 -1.362 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.059 -0.223 -4.162 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.557 0.558 -3.706 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.207 -2.361 -3.205 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.602 -2.813 -5.015 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.008 -1.887 -5.591 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.455 -1.065 -5.313 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.809 -2.571 -2.703 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.619 -0.812 -2.899 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.628 -1.456 -1.583 1.00 0.70 H new ATOM 835 N ALA A 101 -12.056 1.016 -2.069 1.00 0.28 N ATOM 836 CA ALA A 101 -13.044 2.089 -2.072 1.00 0.33 C ATOM 837 C ALA A 101 -13.747 2.208 -0.720 1.00 0.36 C ATOM 838 O ALA A 101 -14.819 2.803 -0.612 1.00 0.57 O ATOM 839 CB ALA A 101 -14.060 1.858 -3.175 1.00 0.36 C ATOM 0 H ALA A 101 -12.453 0.077 -2.023 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.520 3.027 -2.257 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.793 2.664 -3.169 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.552 1.837 -4.139 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.566 0.907 -3.010 1.00 0.36 H new ATOM 845 N SER A 102 -13.117 1.667 0.311 1.00 0.34 N ATOM 846 CA SER A 102 -13.690 1.646 1.647 1.00 0.36 C ATOM 847 C SER A 102 -12.906 2.560 2.574 1.00 0.36 C ATOM 848 O SER A 102 -11.740 2.878 2.326 1.00 0.46 O ATOM 849 CB SER A 102 -13.695 0.220 2.198 1.00 0.40 C ATOM 850 OG SER A 102 -14.531 -0.625 1.425 1.00 1.39 O ATOM 0 H SER A 102 -12.197 1.231 0.245 1.00 0.34 H new ATOM 0 HA SER A 102 -14.717 2.005 1.589 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.679 -0.175 2.202 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.038 0.228 3.232 1.00 0.40 H new ATOM 0 HG SER A 102 -14.098 -0.818 0.568 1.00 1.39 H new ATOM 856 N ALA A 103 -13.569 2.974 3.648 1.00 0.35 N ATOM 857 CA ALA A 103 -13.005 3.919 4.600 1.00 0.36 C ATOM 858 C ALA A 103 -11.813 3.335 5.326 1.00 0.29 C ATOM 859 O ALA A 103 -10.923 4.069 5.753 1.00 0.30 O ATOM 860 CB ALA A 103 -14.060 4.333 5.603 1.00 0.44 C ATOM 0 H ALA A 103 -14.512 2.663 3.882 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.665 4.791 4.041 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.630 5.040 6.312 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.893 4.803 5.081 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.417 3.454 6.139 1.00 0.44 H new ATOM 866 N GLU A 104 -11.796 2.017 5.465 1.00 0.29 N ATOM 867 CA GLU A 104 -10.722 1.349 6.180 1.00 0.30 C ATOM 868 C GLU A 104 -9.382 1.632 5.511 1.00 0.26 C ATOM 869 O GLU A 104 -8.428 2.054 6.164 1.00 0.30 O ATOM 870 CB GLU A 104 -10.971 -0.159 6.260 1.00 0.39 C ATOM 871 CG GLU A 104 -9.781 -0.927 6.812 1.00 0.49 C ATOM 872 CD GLU A 104 -10.113 -2.357 7.184 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.137 -3.221 6.286 1.00 1.81 O ATOM 874 OE2 GLU A 104 -10.336 -2.622 8.385 1.00 1.15 O ATOM 0 H GLU A 104 -12.512 1.392 5.093 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.696 1.742 7.196 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.841 -0.345 6.890 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.211 -0.536 5.266 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -8.982 -0.928 6.071 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.399 -0.409 7.692 1.00 0.49 H new ATOM 881 N PHE A 105 -9.340 1.438 4.200 1.00 0.22 N ATOM 882 CA PHE A 105 -8.125 1.647 3.425 1.00 0.20 C ATOM 883 C PHE A 105 -7.711 3.117 3.450 1.00 0.19 C ATOM 884 O PHE A 105 -6.527 3.441 3.345 1.00 0.16 O ATOM 885 CB PHE A 105 -8.352 1.171 1.989 1.00 0.21 C ATOM 886 CG PHE A 105 -7.102 1.129 1.160 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.951 0.555 1.666 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.076 1.665 -0.116 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.794 0.517 0.920 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.919 1.629 -0.871 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.778 1.055 -0.351 1.00 0.16 C ATOM 0 H PHE A 105 -10.141 1.133 3.647 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.315 1.069 3.869 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.795 0.175 2.012 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.074 1.830 1.507 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.959 0.131 2.659 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.968 2.115 -0.525 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.901 0.067 1.329 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.908 2.049 -1.866 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.872 1.026 -0.938 1.00 0.16 H new ATOM 901 N CYS A 106 -8.688 4.000 3.623 1.00 0.27 N ATOM 902 CA CYS A 106 -8.415 5.425 3.716 1.00 0.27 C ATOM 903 C CYS A 106 -7.577 5.719 4.958 1.00 0.27 C ATOM 904 O CYS A 106 -6.659 6.542 4.914 1.00 0.28 O ATOM 905 CB CYS A 106 -9.723 6.221 3.743 1.00 0.29 C ATOM 906 SG CYS A 106 -9.507 8.014 3.658 1.00 0.59 S ATOM 0 H CYS A 106 -9.674 3.752 3.701 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.850 5.732 2.836 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.346 5.902 2.907 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.265 5.975 4.656 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.671 8.593 3.685 1.00 0.59 H new ATOM 912 N ASN A 107 -7.880 5.030 6.064 1.00 0.28 N ATOM 913 CA ASN A 107 -7.072 5.148 7.278 1.00 0.30 C ATOM 914 C ASN A 107 -5.649 4.747 6.980 1.00 0.24 C ATOM 915 O ASN A 107 -4.710 5.484 7.256 1.00 0.23 O ATOM 916 CB ASN A 107 -7.577 4.243 8.400 1.00 0.37 C ATOM 917 CG ASN A 107 -8.960 4.602 8.893 1.00 0.46 C ATOM 918 OD1 ASN A 107 -9.962 3.889 8.404 1.00 0.78 O flip ATOM 919 ND2 ASN A 107 -9.126 5.488 9.727 1.00 0.64 N flip ATOM 0 H ASN A 107 -8.671 4.391 6.142 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.139 6.187 7.602 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.583 3.211 8.048 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.879 4.291 9.236 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -8.326 6.014 10.078 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.064 5.698 10.069 1.00 0.64 H new ATOM 926 N ILE A 108 -5.515 3.568 6.397 1.00 0.21 N ATOM 927 CA ILE A 108 -4.223 3.003 6.059 1.00 0.17 C ATOM 928 C ILE A 108 -3.389 3.983 5.251 1.00 0.12 C ATOM 929 O ILE A 108 -2.271 4.318 5.627 1.00 0.12 O ATOM 930 CB ILE A 108 -4.412 1.698 5.258 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.549 0.499 6.196 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.296 1.483 4.252 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.902 0.410 6.855 1.00 0.39 C ATOM 0 H ILE A 108 -6.305 2.974 6.144 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.695 2.789 6.988 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.338 1.795 4.691 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.365 -0.416 5.634 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.780 0.559 6.966 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.469 0.553 3.710 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.276 2.315 3.548 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.341 1.427 4.774 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.932 -0.463 7.507 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.080 1.310 7.444 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.674 0.319 6.091 1.00 0.39 H new ATOM 945 N LEU A 109 -3.960 4.457 4.159 1.00 0.12 N ATOM 946 CA LEU A 109 -3.261 5.345 3.252 1.00 0.12 C ATOM 947 C LEU A 109 -2.868 6.652 3.912 1.00 0.13 C ATOM 948 O LEU A 109 -1.703 7.037 3.879 1.00 0.13 O ATOM 949 CB LEU A 109 -4.119 5.597 2.030 1.00 0.15 C ATOM 950 CG LEU A 109 -3.951 4.547 0.950 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.026 4.685 -0.094 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.580 4.684 0.329 1.00 0.17 C ATOM 0 H LEU A 109 -4.916 4.238 3.878 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.333 4.857 2.953 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.166 5.633 2.331 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.872 6.575 1.617 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.044 3.556 1.394 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.889 3.923 -0.861 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -6.004 4.559 0.372 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.966 5.673 -0.550 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.456 3.930 -0.448 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.476 5.677 -0.109 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.818 4.544 1.095 1.00 0.17 H new ATOM 964 N SER A 110 -3.836 7.322 4.516 1.00 0.16 N ATOM 965 CA SER A 110 -3.581 8.591 5.184 1.00 0.20 C ATOM 966 C SER A 110 -2.487 8.438 6.233 1.00 0.19 C ATOM 967 O SER A 110 -1.645 9.317 6.408 1.00 0.22 O ATOM 968 CB SER A 110 -4.865 9.117 5.828 1.00 0.28 C ATOM 969 OG SER A 110 -5.428 8.170 6.722 1.00 1.18 O ATOM 0 H SER A 110 -4.806 7.010 4.558 1.00 0.16 H new ATOM 0 HA SER A 110 -3.242 9.310 4.438 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.651 10.042 6.364 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.590 9.359 5.051 1.00 0.28 H new ATOM 0 HG SER A 110 -5.922 7.493 6.213 1.00 1.18 H new ATOM 975 N ARG A 111 -2.508 7.305 6.916 1.00 0.18 N ATOM 976 CA ARG A 111 -1.555 7.028 7.972 1.00 0.19 C ATOM 977 C ARG A 111 -0.166 6.646 7.444 1.00 0.16 C ATOM 978 O ARG A 111 0.806 7.348 7.716 1.00 0.17 O ATOM 979 CB ARG A 111 -2.106 5.948 8.886 1.00 0.25 C ATOM 980 CG ARG A 111 -3.257 6.441 9.736 1.00 0.33 C ATOM 981 CD ARG A 111 -3.060 7.882 10.166 1.00 1.22 C ATOM 982 NE ARG A 111 -4.252 8.424 10.813 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.248 9.001 12.010 1.00 2.79 C ATOM 984 NH1 ARG A 111 -3.107 9.145 12.671 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.382 9.448 12.539 1.00 3.73 N ATOM 0 H ARG A 111 -3.183 6.557 6.754 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.417 7.950 8.537 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.439 5.102 8.284 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.309 5.584 9.535 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -4.187 6.353 9.175 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.355 5.808 10.618 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.215 7.944 10.851 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.811 8.490 9.296 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.140 8.356 10.316 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -2.234 8.813 12.260 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -3.102 9.588 13.590 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -6.258 9.349 12.026 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.376 9.891 13.458 1.00 3.73 H new ATOM 999 N VAL A 112 -0.067 5.568 6.659 1.00 0.15 N ATOM 1000 CA VAL A 112 1.246 5.059 6.241 1.00 0.14 C ATOM 1001 C VAL A 112 1.955 6.018 5.293 1.00 0.14 C ATOM 1002 O VAL A 112 3.165 6.208 5.393 1.00 0.15 O ATOM 1003 CB VAL A 112 1.191 3.660 5.584 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.645 2.618 6.545 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.388 3.691 4.300 1.00 0.15 C ATOM 0 H VAL A 112 -0.864 5.038 6.305 1.00 0.15 H new ATOM 0 HA VAL A 112 1.811 4.972 7.169 1.00 0.14 H new ATOM 0 HB VAL A 112 2.212 3.374 5.333 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.620 1.646 6.052 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.287 2.562 7.424 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.364 2.897 6.849 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.366 2.694 3.860 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.630 4.015 4.515 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.849 4.387 3.599 1.00 0.15 H new ATOM 1015 N LEU A 113 1.207 6.627 4.380 1.00 0.15 N ATOM 1016 CA LEU A 113 1.780 7.546 3.434 1.00 0.16 C ATOM 1017 C LEU A 113 2.380 8.749 4.154 1.00 0.17 C ATOM 1018 O LEU A 113 3.513 9.141 3.880 1.00 0.20 O ATOM 1019 CB LEU A 113 0.704 7.961 2.433 1.00 0.16 C ATOM 1020 CG LEU A 113 0.696 9.428 2.046 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.858 9.746 1.118 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.630 9.791 1.408 1.00 0.27 C ATOM 0 H LEU A 113 0.200 6.493 4.284 1.00 0.15 H new ATOM 0 HA LEU A 113 2.592 7.063 2.891 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.827 7.366 1.528 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.271 7.709 2.850 1.00 0.16 H new ATOM 0 HG LEU A 113 0.818 10.029 2.947 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.833 10.803 0.853 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.798 9.520 1.621 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.777 9.143 0.214 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.625 10.846 1.134 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.782 9.185 0.515 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.438 9.604 2.116 1.00 0.27 H new ATOM 1034 N SER A 114 1.636 9.307 5.100 1.00 0.17 N ATOM 1035 CA SER A 114 2.098 10.476 5.828 1.00 0.21 C ATOM 1036 C SER A 114 3.271 10.098 6.728 1.00 0.18 C ATOM 1037 O SER A 114 4.212 10.880 6.891 1.00 0.20 O ATOM 1038 CB SER A 114 0.958 11.086 6.643 1.00 0.26 C ATOM 1039 OG SER A 114 1.337 12.339 7.196 1.00 1.06 O ATOM 0 H SER A 114 0.715 8.969 5.379 1.00 0.17 H new ATOM 0 HA SER A 114 2.437 11.226 5.114 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.082 11.216 6.008 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.673 10.403 7.443 1.00 0.26 H new ATOM 0 HG SER A 114 0.590 12.709 7.711 1.00 1.06 H new ATOM 1045 N ARG A 115 3.211 8.898 7.307 1.00 0.15 N ATOM 1046 CA ARG A 115 4.327 8.354 8.063 1.00 0.16 C ATOM 1047 C ARG A 115 5.583 8.296 7.206 1.00 0.15 C ATOM 1048 O ARG A 115 6.660 8.656 7.657 1.00 0.18 O ATOM 1049 CB ARG A 115 3.992 6.958 8.586 1.00 0.20 C ATOM 1050 CG ARG A 115 3.040 6.964 9.765 1.00 0.31 C ATOM 1051 CD ARG A 115 3.651 7.670 10.960 1.00 0.53 C ATOM 1052 NE ARG A 115 2.889 7.435 12.186 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.974 8.199 13.276 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.722 9.295 13.267 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.294 7.875 14.367 1.00 1.62 N ATOM 0 H ARG A 115 2.396 8.287 7.263 1.00 0.15 H new ATOM 0 HA ARG A 115 4.512 9.014 8.910 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.553 6.372 7.778 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.915 6.457 8.878 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.111 7.459 9.483 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.786 5.939 10.036 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.676 7.326 11.099 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.698 8.741 10.763 1.00 0.53 H new ATOM 0 HE ARG A 115 2.253 6.638 12.209 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.234 9.556 12.425 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.784 9.877 14.103 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.706 7.042 14.373 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.359 8.459 15.201 1.00 1.62 H new ATOM 1069 N ALA A 116 5.431 7.852 5.963 1.00 0.15 N ATOM 1070 CA ALA A 116 6.564 7.714 5.055 1.00 0.18 C ATOM 1071 C ALA A 116 7.083 9.069 4.573 1.00 0.21 C ATOM 1072 O ALA A 116 8.278 9.226 4.330 1.00 0.25 O ATOM 1073 CB ALA A 116 6.198 6.831 3.878 1.00 0.20 C ATOM 0 H ALA A 116 4.534 7.581 5.561 1.00 0.15 H new ATOM 0 HA ALA A 116 7.372 7.240 5.613 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.055 6.740 3.211 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.912 5.843 4.239 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.363 7.275 3.336 1.00 0.20 H new ATOM 1079 N ARG A 117 6.183 10.040 4.412 1.00 0.23 N ATOM 1080 CA ARG A 117 6.595 11.409 4.096 1.00 0.28 C ATOM 1081 C ARG A 117 7.493 11.938 5.211 1.00 0.29 C ATOM 1082 O ARG A 117 8.495 12.611 4.966 1.00 0.39 O ATOM 1083 CB ARG A 117 5.387 12.346 3.942 1.00 0.38 C ATOM 1084 CG ARG A 117 4.309 11.854 3.001 1.00 1.06 C ATOM 1085 CD ARG A 117 4.798 11.885 1.575 1.00 1.15 C ATOM 1086 NE ARG A 117 4.917 13.245 1.053 1.00 1.75 N ATOM 1087 CZ ARG A 117 4.428 13.646 -0.121 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.763 12.797 -0.898 1.00 2.33 N ATOM 1089 NH2 ARG A 117 4.613 14.897 -0.518 1.00 2.99 N ATOM 0 H ARG A 117 5.175 9.907 4.494 1.00 0.23 H new ATOM 0 HA ARG A 117 7.132 11.385 3.148 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.944 12.507 4.925 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.741 13.315 3.589 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.019 10.838 3.270 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.420 12.476 3.100 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.768 11.391 1.516 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.112 11.317 0.947 1.00 1.15 H new ATOM 0 HE ARG A 117 5.407 13.933 1.625 1.00 1.75 H new ATOM 0 HH11 ARG A 117 3.624 11.832 -0.597 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.392 13.110 -1.795 1.00 2.33 H new ATOM 0 HH21 ARG A 117 5.128 15.549 0.074 1.00 2.99 H new ATOM 0 HH22 ARG A 117 4.241 15.208 -1.415 1.00 2.99 H new ATOM 1103 N SER A 118 7.114 11.614 6.438 1.00 0.28 N ATOM 1104 CA SER A 118 7.851 12.026 7.622 1.00 0.33 C ATOM 1105 C SER A 118 9.125 11.213 7.769 1.00 0.32 C ATOM 1106 O SER A 118 10.219 11.747 7.962 1.00 0.41 O ATOM 1107 CB SER A 118 6.971 11.820 8.851 1.00 0.38 C ATOM 1108 OG SER A 118 7.531 12.421 10.008 1.00 0.62 O ATOM 0 H SER A 118 6.284 11.056 6.641 1.00 0.28 H new ATOM 0 HA SER A 118 8.121 13.078 7.525 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.983 12.241 8.665 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.835 10.753 9.026 1.00 0.38 H new ATOM 0 HG SER A 118 6.939 12.270 10.774 1.00 0.62 H new ATOM 1114 N ARG A 119 8.950 9.914 7.681 1.00 0.26 N ATOM 1115 CA ARG A 119 10.029 8.957 7.840 1.00 0.28 C ATOM 1116 C ARG A 119 10.293 8.173 6.559 1.00 0.26 C ATOM 1117 O ARG A 119 9.801 7.056 6.394 1.00 0.25 O ATOM 1118 CB ARG A 119 9.699 7.980 8.965 1.00 0.33 C ATOM 1119 CG ARG A 119 9.831 8.573 10.348 1.00 0.47 C ATOM 1120 CD ARG A 119 11.291 8.805 10.684 1.00 1.28 C ATOM 1121 NE ARG A 119 11.473 9.267 12.054 1.00 1.54 N ATOM 1122 CZ ARG A 119 12.632 9.690 12.546 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.700 9.794 11.759 1.00 3.26 N ATOM 1124 NH2 ARG A 119 12.716 10.016 13.827 1.00 2.60 N ATOM 0 H ARG A 119 8.044 9.484 7.495 1.00 0.26 H new ATOM 0 HA ARG A 119 10.928 9.523 8.083 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.680 7.618 8.831 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.357 7.115 8.887 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.285 9.515 10.401 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.384 7.903 11.082 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.847 7.879 10.537 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.708 9.540 9.996 1.00 1.28 H new ATOM 0 HE ARG A 119 10.662 9.265 12.672 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.632 9.548 10.771 1.00 3.26 H new ATOM 0 HH12 ARG A 119 14.587 10.120 12.143 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.895 9.941 14.427 1.00 2.60 H new ATOM 0 HH22 ARG A 119 13.602 10.342 14.213 1.00 2.60 H new ATOM 1138 N PRO A 120 11.094 8.742 5.649 1.00 0.29 N ATOM 1139 CA PRO A 120 11.603 8.030 4.472 1.00 0.30 C ATOM 1140 C PRO A 120 12.424 6.822 4.893 1.00 0.27 C ATOM 1141 O PRO A 120 12.544 5.835 4.168 1.00 0.28 O ATOM 1142 CB PRO A 120 12.508 9.064 3.792 1.00 0.37 C ATOM 1143 CG PRO A 120 12.801 10.072 4.846 1.00 0.38 C ATOM 1144 CD PRO A 120 11.568 10.126 5.687 1.00 0.35 C ATOM 0 HA PRO A 120 10.807 7.659 3.826 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.424 8.604 3.421 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.011 9.521 2.936 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.669 9.782 5.438 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.023 11.046 4.409 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.785 10.452 6.704 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.830 10.818 5.281 1.00 0.35 H new ATOM 1152 N ALA A 121 12.972 6.925 6.094 1.00 0.25 N ATOM 1153 CA ALA A 121 13.782 5.882 6.691 1.00 0.28 C ATOM 1154 C ALA A 121 12.988 4.594 6.896 1.00 0.27 C ATOM 1155 O ALA A 121 13.528 3.494 6.790 1.00 0.35 O ATOM 1156 CB ALA A 121 14.321 6.380 8.017 1.00 0.33 C ATOM 0 H ALA A 121 12.863 7.748 6.687 1.00 0.25 H new ATOM 0 HA ALA A 121 14.603 5.650 6.013 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.933 5.603 8.476 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.929 7.270 7.852 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.490 6.626 8.678 1.00 0.33 H new ATOM 1162 N LYS A 122 11.706 4.735 7.194 1.00 0.22 N ATOM 1163 CA LYS A 122 10.851 3.589 7.434 1.00 0.27 C ATOM 1164 C LYS A 122 9.775 3.478 6.367 1.00 0.19 C ATOM 1165 O LYS A 122 8.831 2.702 6.508 1.00 0.18 O ATOM 1166 CB LYS A 122 10.220 3.685 8.815 1.00 0.39 C ATOM 1167 CG LYS A 122 11.128 3.203 9.932 1.00 0.49 C ATOM 1168 CD LYS A 122 10.548 1.947 10.566 1.00 0.66 C ATOM 1169 CE LYS A 122 11.199 1.615 11.899 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.540 0.997 11.745 1.00 1.79 N ATOM 0 H LYS A 122 11.236 5.636 7.275 1.00 0.22 H new ATOM 0 HA LYS A 122 11.465 2.690 7.388 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.941 4.721 9.007 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.301 3.099 8.827 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.124 2.996 9.539 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.238 3.983 10.685 1.00 0.49 H new ATOM 0 HD2 LYS A 122 9.476 2.079 10.712 1.00 0.66 H new ATOM 0 HD3 LYS A 122 10.676 1.107 9.883 1.00 0.66 H new ATOM 0 HE2 LYS A 122 11.289 2.526 12.491 1.00 1.28 H new ATOM 0 HE3 LYS A 122 10.553 0.936 12.455 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.937 0.791 12.684 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.455 0.113 11.204 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 13.169 1.653 11.239 1.00 1.79 H new ATOM 1184 N LEU A 123 9.944 4.257 5.301 1.00 0.17 N ATOM 1185 CA LEU A 123 9.065 4.231 4.142 1.00 0.14 C ATOM 1186 C LEU A 123 8.742 2.807 3.705 1.00 0.12 C ATOM 1187 O LEU A 123 7.609 2.502 3.346 1.00 0.12 O ATOM 1188 CB LEU A 123 9.759 4.970 3.007 1.00 0.16 C ATOM 1189 CG LEU A 123 9.209 4.717 1.614 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.987 5.571 1.349 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.289 4.991 0.601 1.00 0.21 C ATOM 0 H LEU A 123 10.705 4.931 5.220 1.00 0.17 H new ATOM 0 HA LEU A 123 8.122 4.710 4.404 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.704 6.040 3.209 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.814 4.698 3.014 1.00 0.16 H new ATOM 0 HG LEU A 123 8.898 3.675 1.535 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.614 5.370 0.345 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.212 5.334 2.078 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.254 6.624 1.433 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.901 4.811 -0.402 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.612 6.029 0.685 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.137 4.331 0.786 1.00 0.21 H new ATOM 1203 N TYR A 124 9.740 1.935 3.767 1.00 0.13 N ATOM 1204 CA TYR A 124 9.594 0.571 3.278 1.00 0.13 C ATOM 1205 C TYR A 124 8.620 -0.214 4.125 1.00 0.13 C ATOM 1206 O TYR A 124 7.801 -0.936 3.589 1.00 0.14 O ATOM 1207 CB TYR A 124 10.940 -0.129 3.222 1.00 0.14 C ATOM 1208 CG TYR A 124 11.773 0.286 2.043 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.576 1.418 2.083 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.751 -0.461 0.881 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.333 1.789 0.989 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.495 -0.101 -0.207 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.289 1.023 -0.156 1.00 0.24 C ATOM 1214 OH TYR A 124 14.028 1.385 -1.257 1.00 0.31 O ATOM 0 H TYR A 124 10.660 2.149 4.152 1.00 0.13 H new ATOM 0 HA TYR A 124 9.191 0.623 2.266 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.490 0.081 4.139 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.781 -1.207 3.185 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.609 2.016 2.981 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.134 -1.346 0.832 1.00 0.14 H new ATOM 0 HE1 TYR A 124 13.954 2.672 1.030 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.460 -0.698 -1.107 1.00 0.19 H new ATOM 0 HH TYR A 124 14.895 0.928 -1.234 1.00 0.31 H new ATOM 1224 N VAL A 125 8.696 -0.070 5.437 1.00 0.13 N ATOM 1225 CA VAL A 125 7.721 -0.714 6.308 1.00 0.14 C ATOM 1226 C VAL A 125 6.303 -0.278 5.953 1.00 0.12 C ATOM 1227 O VAL A 125 5.377 -1.080 5.977 1.00 0.14 O ATOM 1228 CB VAL A 125 8.010 -0.426 7.791 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.889 -0.952 8.686 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.348 -1.039 8.164 1.00 0.23 C ATOM 0 H VAL A 125 9.409 0.477 5.919 1.00 0.13 H new ATOM 0 HA VAL A 125 7.806 -1.789 6.151 1.00 0.14 H new ATOM 0 HB VAL A 125 8.057 0.652 7.944 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.122 -0.733 9.728 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.950 -0.469 8.415 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.794 -2.030 8.554 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.560 -0.839 9.214 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.313 -2.116 8.000 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.133 -0.603 7.546 1.00 0.23 H new ATOM 1240 N TYR A 126 6.151 0.983 5.581 1.00 0.11 N ATOM 1241 CA TYR A 126 4.853 1.508 5.187 1.00 0.11 C ATOM 1242 C TYR A 126 4.479 0.989 3.805 1.00 0.10 C ATOM 1243 O TYR A 126 3.310 0.750 3.514 1.00 0.11 O ATOM 1244 CB TYR A 126 4.883 3.032 5.234 1.00 0.12 C ATOM 1245 CG TYR A 126 5.410 3.533 6.559 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.994 2.936 7.741 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.344 4.558 6.633 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.486 3.344 8.961 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.848 4.971 7.853 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.415 4.360 9.014 1.00 0.20 C ATOM 1251 OH TYR A 126 6.916 4.764 10.233 1.00 0.25 O ATOM 0 H TYR A 126 6.911 1.663 5.544 1.00 0.11 H new ATOM 0 HA TYR A 126 4.087 1.166 5.883 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.509 3.410 4.426 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.879 3.422 5.069 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.270 2.135 7.703 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.681 5.039 5.727 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.146 2.871 9.870 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.576 5.767 7.898 1.00 0.20 H new ATOM 0 HH TYR A 126 7.561 5.489 10.097 1.00 0.25 H new ATOM 1261 N ILE A 127 5.493 0.815 2.968 1.00 0.11 N ATOM 1262 CA ILE A 127 5.351 0.113 1.698 1.00 0.11 C ATOM 1263 C ILE A 127 4.847 -1.309 1.946 1.00 0.11 C ATOM 1264 O ILE A 127 3.869 -1.754 1.346 1.00 0.11 O ATOM 1265 CB ILE A 127 6.708 0.069 0.954 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.073 1.469 0.460 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.671 -0.917 -0.200 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.543 1.652 0.164 1.00 0.11 C ATOM 0 H ILE A 127 6.437 1.156 3.150 1.00 0.11 H new ATOM 0 HA ILE A 127 4.630 0.647 1.079 1.00 0.11 H new ATOM 0 HB ILE A 127 7.474 -0.272 1.651 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.501 1.685 -0.443 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.771 2.199 1.211 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.638 -0.925 -0.703 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.451 -1.915 0.181 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.897 -0.620 -0.908 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.721 2.671 -0.181 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.122 1.469 1.069 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.849 0.948 -0.610 1.00 0.11 H new ATOM 1280 N ASN A 128 5.532 -1.997 2.850 1.00 0.12 N ATOM 1281 CA ASN A 128 5.174 -3.337 3.273 1.00 0.14 C ATOM 1282 C ASN A 128 3.746 -3.368 3.793 1.00 0.14 C ATOM 1283 O ASN A 128 2.932 -4.172 3.340 1.00 0.16 O ATOM 1284 CB ASN A 128 6.120 -3.799 4.389 1.00 0.20 C ATOM 1285 CG ASN A 128 7.539 -4.097 3.934 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.251 -4.861 4.575 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.964 -3.499 2.842 1.00 0.26 N ATOM 0 H ASN A 128 6.363 -1.631 3.314 1.00 0.12 H new ATOM 0 HA ASN A 128 5.258 -4.003 2.414 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.154 -3.029 5.160 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.705 -4.695 4.851 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.912 -3.666 2.505 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.345 -2.869 2.332 1.00 0.26 H new ATOM 1294 N GLU A 129 3.458 -2.481 4.749 1.00 0.13 N ATOM 1295 CA GLU A 129 2.128 -2.378 5.335 1.00 0.16 C ATOM 1296 C GLU A 129 1.084 -2.207 4.268 1.00 0.15 C ATOM 1297 O GLU A 129 0.225 -3.050 4.108 1.00 0.17 O ATOM 1298 CB GLU A 129 2.040 -1.199 6.302 1.00 0.23 C ATOM 1299 CG GLU A 129 2.703 -1.473 7.627 1.00 0.29 C ATOM 1300 CD GLU A 129 2.436 -0.398 8.664 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.280 -0.274 9.116 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.382 0.345 9.019 1.00 1.03 O ATOM 0 H GLU A 129 4.136 -1.822 5.132 1.00 0.13 H new ATOM 0 HA GLU A 129 1.946 -3.304 5.880 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.504 -0.325 5.844 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.992 -0.952 6.471 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.353 -2.432 8.009 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.779 -1.563 7.476 1.00 0.29 H new ATOM 1309 N LEU A 130 1.202 -1.128 3.524 1.00 0.14 N ATOM 1310 CA LEU A 130 0.268 -0.800 2.460 1.00 0.15 C ATOM 1311 C LEU A 130 0.050 -1.986 1.516 1.00 0.15 C ATOM 1312 O LEU A 130 -1.082 -2.290 1.150 1.00 0.18 O ATOM 1313 CB LEU A 130 0.819 0.400 1.705 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.145 1.107 0.766 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.483 1.345 1.449 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.471 2.425 0.332 1.00 0.12 C ATOM 0 H LEU A 130 1.953 -0.447 3.639 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.705 -0.562 2.889 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.181 1.126 2.434 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.682 0.073 1.126 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.324 0.481 -0.108 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.158 1.852 0.760 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.916 0.389 1.744 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.335 1.965 2.333 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.212 2.941 -0.342 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.655 3.047 1.208 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.413 2.235 -0.182 1.00 0.12 H new ATOM 1328 N CYS A 131 1.132 -2.667 1.152 1.00 0.14 N ATOM 1329 CA CYS A 131 1.047 -3.839 0.283 1.00 0.17 C ATOM 1330 C CYS A 131 0.312 -4.988 0.981 1.00 0.18 C ATOM 1331 O CYS A 131 -0.543 -5.646 0.382 1.00 0.21 O ATOM 1332 CB CYS A 131 2.456 -4.285 -0.135 1.00 0.20 C ATOM 1333 SG CYS A 131 2.508 -5.804 -1.116 1.00 0.53 S ATOM 0 H CYS A 131 2.079 -2.428 1.445 1.00 0.14 H new ATOM 0 HA CYS A 131 0.480 -3.566 -0.607 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.921 -3.483 -0.708 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.058 -4.427 0.762 1.00 0.20 H new ATOM 0 HG CYS A 131 3.393 -5.681 -2.060 1.00 0.53 H new ATOM 1339 N THR A 132 0.636 -5.216 2.251 1.00 0.19 N ATOM 1340 CA THR A 132 -0.008 -6.268 3.033 1.00 0.23 C ATOM 1341 C THR A 132 -1.470 -5.916 3.250 1.00 0.21 C ATOM 1342 O THR A 132 -2.363 -6.748 3.103 1.00 0.22 O ATOM 1343 CB THR A 132 0.662 -6.439 4.410 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.083 -6.554 4.259 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.122 -7.672 5.115 1.00 0.36 C ATOM 0 H THR A 132 1.342 -4.685 2.761 1.00 0.19 H new ATOM 0 HA THR A 132 0.088 -7.201 2.477 1.00 0.23 H new ATOM 0 HB THR A 132 0.436 -5.559 5.013 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.473 -5.663 4.141 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.606 -7.777 6.086 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.954 -7.569 5.255 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.326 -8.556 4.510 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.676 -4.652 3.567 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.983 -4.072 3.781 1.00 0.17 C ATOM 1355 C VAL A 133 -3.906 -4.368 2.613 1.00 0.18 C ATOM 1356 O VAL A 133 -5.058 -4.771 2.807 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.828 -2.547 3.951 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.114 -1.810 3.630 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.341 -2.208 5.357 1.00 0.18 C ATOM 0 H VAL A 133 -0.915 -3.983 3.686 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.423 -4.508 4.678 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.077 -2.212 3.236 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.962 -0.739 3.762 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.401 -2.011 2.598 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.905 -2.150 4.299 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.238 -1.127 5.456 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.061 -2.573 6.089 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.375 -2.682 5.532 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.383 -4.183 1.411 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.137 -4.428 0.199 1.00 0.20 C ATOM 1371 C LEU A 134 -4.697 -5.840 0.184 1.00 0.23 C ATOM 1372 O LEU A 134 -5.896 -6.034 0.051 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.242 -4.204 -1.021 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.788 -2.759 -1.211 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.807 -2.630 -2.355 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.980 -1.873 -1.451 1.00 0.20 C ATOM 0 H LEU A 134 -2.429 -3.860 1.252 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.974 -3.731 0.166 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.361 -4.840 -0.933 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.778 -4.524 -1.914 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.280 -2.445 -0.299 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.506 -1.588 -2.460 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.929 -3.243 -2.152 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.278 -2.967 -3.278 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.647 -0.844 -1.586 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.505 -2.205 -2.347 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.652 -1.928 -0.595 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.838 -6.820 0.382 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.238 -8.210 0.252 1.00 0.29 C ATOM 1390 C LYS A 135 -4.974 -8.722 1.477 1.00 0.30 C ATOM 1391 O LYS A 135 -5.817 -9.615 1.377 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.020 -9.071 -0.047 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.678 -9.082 -1.521 1.00 0.38 C ATOM 1394 CD LYS A 135 -3.842 -9.620 -2.330 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.067 -11.096 -2.049 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.083 -11.685 -2.954 1.00 1.59 N ATOM 0 H LYS A 135 -2.859 -6.682 0.633 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.940 -8.274 -0.579 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.166 -8.700 0.520 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.206 -10.091 0.289 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.433 -8.073 -1.851 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -1.794 -9.696 -1.691 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.745 -9.059 -2.091 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -3.649 -9.474 -3.393 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.126 -11.634 -2.162 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -4.385 -11.224 -1.014 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.206 -12.693 -2.729 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.989 -11.189 -2.829 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.768 -11.587 -3.940 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.656 -8.151 2.620 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.236 -8.580 3.886 1.00 0.30 C ATOM 1412 C ALA A 136 -6.745 -8.371 3.922 1.00 0.31 C ATOM 1413 O ALA A 136 -7.475 -9.193 4.470 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.587 -7.846 5.049 1.00 0.33 C ATOM 0 H ALA A 136 -3.993 -7.381 2.703 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.043 -9.649 3.980 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -5.034 -8.180 5.985 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.518 -8.057 5.061 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.743 -6.773 4.935 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.216 -7.275 3.340 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.618 -6.919 3.455 1.00 0.35 C ATOM 1422 C HIS A 137 -9.354 -7.025 2.124 1.00 0.35 C ATOM 1423 O HIS A 137 -10.583 -7.052 2.086 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.754 -5.516 4.027 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.923 -5.284 5.254 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.221 -5.824 6.481 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.767 -4.600 5.420 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.285 -5.487 7.346 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.389 -4.744 6.729 1.00 0.49 N ATOM 0 H HIS A 137 -6.653 -6.626 2.790 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.082 -7.635 4.134 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.469 -4.792 3.263 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.801 -5.331 4.267 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.239 -4.043 4.660 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.257 -5.773 8.387 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.553 -4.343 7.155 1.00 0.49 H new ATOM 1438 N SER A 138 -8.606 -7.099 1.037 1.00 0.31 N ATOM 1439 CA SER A 138 -9.201 -7.206 -0.282 1.00 0.33 C ATOM 1440 C SER A 138 -9.019 -8.630 -0.815 1.00 0.55 C ATOM 1441 O SER A 138 -8.559 -9.524 -0.098 1.00 1.05 O ATOM 1442 CB SER A 138 -8.600 -6.176 -1.248 1.00 0.38 C ATOM 1443 OG SER A 138 -7.424 -6.679 -1.847 1.00 1.00 O ATOM 0 H SER A 138 -7.586 -7.087 1.042 1.00 0.31 H new ATOM 0 HA SER A 138 -10.267 -6.992 -0.203 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.328 -5.926 -2.019 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.375 -5.255 -0.711 1.00 0.38 H new ATOM 0 HG SER A 138 -6.770 -6.898 -1.151 1.00 1.00 H new ATOM 1624 N SER B 27 4.195 -10.730 2.501 1.00 0.55 N ATOM 1625 CA SER B 27 3.611 -9.435 2.757 1.00 0.54 C ATOM 1626 C SER B 27 4.677 -8.358 2.860 1.00 0.44 C ATOM 1627 O SER B 27 4.816 -7.514 1.978 1.00 0.53 O ATOM 1628 CB SER B 27 2.785 -9.514 4.034 1.00 0.75 C ATOM 1629 OG SER B 27 1.917 -10.635 3.992 1.00 1.37 O ATOM 0 HA SER B 27 2.965 -9.160 1.923 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.445 -9.589 4.898 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.204 -8.600 4.156 1.00 0.75 H new ATOM 0 HG SER B 27 2.328 -11.347 3.459 1.00 1.37 H new ATOM 1635 N ASP B 28 5.423 -8.400 3.939 1.00 0.43 N ATOM 1636 CA ASP B 28 6.491 -7.439 4.170 1.00 0.37 C ATOM 1637 C ASP B 28 7.773 -7.916 3.511 1.00 0.33 C ATOM 1638 O ASP B 28 8.465 -7.157 2.834 1.00 0.31 O ATOM 1639 CB ASP B 28 6.744 -7.240 5.670 1.00 0.44 C ATOM 1640 CG ASP B 28 5.485 -6.992 6.466 1.00 0.95 C ATOM 1641 OD1 ASP B 28 4.848 -7.972 6.899 1.00 1.07 O ATOM 1642 OD2 ASP B 28 5.110 -5.811 6.632 1.00 1.83 O ATOM 0 H ASP B 28 5.313 -9.093 4.680 1.00 0.43 H new ATOM 0 HA ASP B 28 6.181 -6.488 3.737 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.247 -8.123 6.066 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.423 -6.398 5.807 1.00 0.44 H new ATOM 1647 N SER B 29 8.063 -9.194 3.688 1.00 0.36 N ATOM 1648 CA SER B 29 9.338 -9.757 3.278 1.00 0.34 C ATOM 1649 C SER B 29 9.524 -9.722 1.777 1.00 0.33 C ATOM 1650 O SER B 29 10.649 -9.655 1.293 1.00 0.34 O ATOM 1651 CB SER B 29 9.464 -11.177 3.796 1.00 0.39 C ATOM 1652 OG SER B 29 8.320 -11.944 3.464 1.00 1.07 O ATOM 0 H SER B 29 7.427 -9.866 4.117 1.00 0.36 H new ATOM 0 HA SER B 29 10.126 -9.140 3.710 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.354 -11.644 3.374 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.595 -11.163 4.878 1.00 0.39 H new ATOM 0 HG SER B 29 8.426 -12.856 3.807 1.00 1.07 H new ATOM 1658 N GLU B 30 8.415 -9.742 1.057 1.00 0.35 N ATOM 1659 CA GLU B 30 8.424 -9.665 -0.397 1.00 0.37 C ATOM 1660 C GLU B 30 9.259 -8.480 -0.862 1.00 0.34 C ATOM 1661 O GLU B 30 10.007 -8.565 -1.835 1.00 0.39 O ATOM 1662 CB GLU B 30 7.007 -9.516 -0.912 1.00 0.45 C ATOM 1663 CG GLU B 30 6.909 -9.663 -2.401 1.00 0.68 C ATOM 1664 CD GLU B 30 7.331 -11.028 -2.902 1.00 1.37 C ATOM 1665 OE1 GLU B 30 8.536 -11.221 -3.174 1.00 2.33 O ATOM 1666 OE2 GLU B 30 6.470 -11.920 -3.010 1.00 1.57 O ATOM 0 H GLU B 30 7.482 -9.812 1.463 1.00 0.35 H new ATOM 0 HA GLU B 30 8.862 -10.582 -0.790 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.372 -10.263 -0.436 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.621 -8.539 -0.622 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.881 -9.473 -2.710 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.530 -8.903 -2.875 1.00 0.68 H new ATOM 1673 N LEU B 31 9.132 -7.384 -0.137 1.00 0.28 N ATOM 1674 CA LEU B 31 9.881 -6.184 -0.413 1.00 0.24 C ATOM 1675 C LEU B 31 11.335 -6.409 -0.060 1.00 0.25 C ATOM 1676 O LEU B 31 12.244 -6.213 -0.868 1.00 0.26 O ATOM 1677 CB LEU B 31 9.370 -5.043 0.439 1.00 0.20 C ATOM 1678 CG LEU B 31 7.955 -4.518 0.167 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.853 -3.844 -1.180 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.922 -5.609 0.291 1.00 0.24 C ATOM 0 H LEU B 31 8.503 -7.306 0.662 1.00 0.28 H new ATOM 0 HA LEU B 31 9.770 -5.941 -1.470 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.414 -5.359 1.481 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.062 -4.208 0.329 1.00 0.20 H new ATOM 0 HG LEU B 31 7.750 -3.769 0.932 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.834 -3.487 -1.332 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.543 -3.001 -1.218 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.108 -4.557 -1.964 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.933 -5.198 0.091 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.139 -6.399 -0.428 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.947 -6.021 1.300 1.00 0.24 H new ATOM 1692 N GLU B 32 11.510 -6.856 1.176 1.00 0.26 N ATOM 1693 CA GLU B 32 12.822 -7.036 1.798 1.00 0.29 C ATOM 1694 C GLU B 32 13.734 -7.939 0.980 1.00 0.33 C ATOM 1695 O GLU B 32 14.951 -7.930 1.162 1.00 0.38 O ATOM 1696 CB GLU B 32 12.679 -7.645 3.191 1.00 0.29 C ATOM 1697 CG GLU B 32 11.473 -7.168 3.978 1.00 0.26 C ATOM 1698 CD GLU B 32 11.421 -7.787 5.362 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.233 -9.019 5.463 1.00 0.59 O ATOM 1700 OE2 GLU B 32 11.567 -7.054 6.354 1.00 0.47 O ATOM 0 H GLU B 32 10.734 -7.109 1.788 1.00 0.26 H new ATOM 0 HA GLU B 32 13.269 -6.043 1.856 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.625 -8.729 3.093 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.579 -7.421 3.763 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.504 -6.082 4.067 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.562 -7.418 3.434 1.00 0.26 H new ATOM 1707 N GLN B 33 13.130 -8.733 0.115 1.00 0.35 N ATOM 1708 CA GLN B 33 13.861 -9.676 -0.723 1.00 0.40 C ATOM 1709 C GLN B 33 14.942 -8.974 -1.526 1.00 0.39 C ATOM 1710 O GLN B 33 16.102 -9.392 -1.545 1.00 0.48 O ATOM 1711 CB GLN B 33 12.911 -10.372 -1.687 1.00 0.43 C ATOM 1712 CG GLN B 33 11.765 -11.075 -1.010 1.00 0.47 C ATOM 1713 CD GLN B 33 12.219 -12.182 -0.087 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.397 -13.326 -0.505 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.379 -11.857 1.182 1.00 0.57 N ATOM 0 H GLN B 33 12.120 -8.745 -0.029 1.00 0.35 H new ATOM 0 HA GLN B 33 14.326 -10.408 -0.063 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.512 -9.635 -2.384 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.473 -11.097 -2.276 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.185 -10.349 -0.441 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.101 -11.490 -1.768 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.221 -10.896 1.486 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.661 -12.566 1.859 1.00 0.57 H new ATOM 1724 N TYR B 34 14.548 -7.906 -2.188 1.00 0.32 N ATOM 1725 CA TYR B 34 15.443 -7.190 -3.075 1.00 0.32 C ATOM 1726 C TYR B 34 15.774 -5.793 -2.558 1.00 0.30 C ATOM 1727 O TYR B 34 16.854 -5.274 -2.836 1.00 0.37 O ATOM 1728 CB TYR B 34 14.843 -7.111 -4.482 1.00 0.32 C ATOM 1729 CG TYR B 34 13.334 -7.198 -4.525 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.542 -6.281 -3.850 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.700 -8.195 -5.256 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.176 -6.351 -3.896 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.322 -8.271 -5.306 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.564 -7.347 -4.624 1.00 0.34 C ATOM 1735 OH TYR B 34 9.194 -7.422 -4.670 1.00 0.40 O ATOM 0 H TYR B 34 13.609 -7.512 -2.128 1.00 0.32 H new ATOM 0 HA TYR B 34 16.378 -7.748 -3.113 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.154 -6.174 -4.944 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.258 -7.917 -5.086 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.013 -5.496 -3.277 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.293 -8.921 -5.793 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.579 -5.626 -3.362 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.842 -9.052 -5.877 1.00 0.42 H new ATOM 0 HH TYR B 34 8.809 -6.595 -4.312 1.00 0.40 H new ATOM 1745 N PHE B 35 14.873 -5.185 -1.795 1.00 0.27 N ATOM 1746 CA PHE B 35 15.100 -3.822 -1.342 1.00 0.26 C ATOM 1747 C PHE B 35 14.545 -3.581 0.051 1.00 0.25 C ATOM 1748 O PHE B 35 13.646 -4.281 0.496 1.00 0.25 O ATOM 1749 CB PHE B 35 14.515 -2.804 -2.334 1.00 0.25 C ATOM 1750 CG PHE B 35 13.045 -2.934 -2.629 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.095 -2.846 -1.630 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.619 -3.121 -3.932 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.756 -2.947 -1.916 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.276 -3.226 -4.227 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.343 -3.139 -3.218 1.00 0.18 C ATOM 0 H PHE B 35 13.997 -5.605 -1.483 1.00 0.27 H new ATOM 0 HA PHE B 35 16.180 -3.683 -1.294 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.699 -1.802 -1.946 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.062 -2.888 -3.273 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.410 -2.695 -0.608 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.347 -3.185 -4.727 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.027 -2.876 -1.122 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.957 -3.376 -5.248 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.290 -3.221 -3.446 1.00 0.18 H new ATOM 1765 N THR B 36 15.113 -2.588 0.723 1.00 0.27 N ATOM 1766 CA THR B 36 14.647 -2.122 2.032 1.00 0.27 C ATOM 1767 C THR B 36 15.474 -0.916 2.470 1.00 0.32 C ATOM 1768 O THR B 36 16.210 -0.344 1.665 1.00 0.45 O ATOM 1769 CB THR B 36 14.694 -3.223 3.122 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.653 -4.231 2.779 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.322 -3.848 3.297 1.00 0.27 C ATOM 0 H THR B 36 15.922 -2.074 0.373 1.00 0.27 H new ATOM 0 HA THR B 36 13.600 -1.842 1.918 1.00 0.27 H new ATOM 0 HB THR B 36 14.995 -2.763 4.063 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.671 -4.917 3.478 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.369 -4.620 4.065 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.608 -3.081 3.597 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.002 -4.293 2.355 1.00 0.27 H new ATOM 1779 N ALA B 37 15.336 -0.521 3.726 1.00 0.32 N ATOM 1780 CA ALA B 37 16.070 0.622 4.258 1.00 0.35 C ATOM 1781 C ALA B 37 16.944 0.189 5.424 1.00 0.43 C ATOM 1782 O ALA B 37 17.293 -0.987 5.536 1.00 0.53 O ATOM 1783 CB ALA B 37 15.115 1.721 4.700 1.00 0.29 C ATOM 0 H ALA B 37 14.720 -0.976 4.400 1.00 0.32 H new ATOM 0 HA ALA B 37 16.706 1.018 3.466 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.686 2.563 5.093 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.521 2.052 3.848 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.453 1.337 5.476 1.00 0.29 H new ATOM 1789 N ARG B 38 17.289 1.138 6.291 1.00 0.44 N ATOM 1790 CA ARG B 38 18.111 0.848 7.459 1.00 0.52 C ATOM 1791 C ARG B 38 17.430 -0.173 8.372 1.00 0.56 C ATOM 1792 O ARG B 38 18.069 -1.113 8.839 1.00 0.67 O ATOM 1793 CB ARG B 38 18.425 2.133 8.243 1.00 0.57 C ATOM 1794 CG ARG B 38 17.255 2.694 9.031 1.00 0.67 C ATOM 1795 CD ARG B 38 16.511 3.755 8.263 1.00 0.93 C ATOM 1796 NE ARG B 38 17.314 4.961 8.069 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.503 5.898 9.001 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.990 5.748 10.218 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.205 6.984 8.718 1.00 2.94 N ATOM 0 H ARG B 38 17.011 2.115 6.205 1.00 0.44 H new ATOM 0 HA ARG B 38 19.048 0.420 7.103 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.246 1.932 8.931 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.773 2.893 7.544 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.570 1.886 9.287 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.618 3.114 9.969 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.214 3.358 7.292 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.595 4.012 8.796 1.00 0.93 H new ATOM 0 HE ARG B 38 17.759 5.096 7.161 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.449 4.914 10.444 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.138 6.467 10.926 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.603 7.106 7.787 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.348 7.699 9.431 1.00 2.94 H new ATOM 1813 N TRP B 39 16.132 0.029 8.597 1.00 0.54 N ATOM 1814 CA TRP B 39 15.313 -0.834 9.448 1.00 0.64 C ATOM 1815 C TRP B 39 16.008 -1.168 10.766 1.00 0.85 C ATOM 1816 O TRP B 39 16.359 -2.347 10.985 1.00 1.41 O ATOM 1817 CB TRP B 39 14.921 -2.098 8.686 1.00 0.60 C ATOM 1818 CG TRP B 39 13.964 -1.804 7.589 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.008 -0.744 6.751 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.822 -2.562 7.222 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.947 -0.782 5.882 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.207 -1.901 6.147 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.261 -3.737 7.694 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.057 -2.386 5.540 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.120 -4.207 7.094 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.530 -3.536 6.025 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.212 -0.234 11.574 1.00 1.45 O ATOM 0 H TRP B 39 15.613 0.806 8.188 1.00 0.54 H new ATOM 0 HA TRP B 39 14.406 -0.288 9.708 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.815 -2.566 8.273 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.475 -2.815 9.375 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.769 0.022 6.764 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.744 -0.091 5.159 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.712 -4.272 8.517 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.599 -1.866 4.712 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.669 -5.118 7.459 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.636 -3.940 5.574 1.00 0.25 H new