USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 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 122 LYS NZ :NH3+ 163:sc= -0.262 (180deg=-0.84) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0.325 USER MOD Set 2.1: A 75 LYS NZ :NH3+ -118:sc= 1.32 (180deg=-0.53) USER MOD Set 2.2: A 89 TYR OH : rot 150:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot -49:sc= -0.139 USER MOD Set 3.2: A 78 THR OG1 : rot -34:sc= 2 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.18 (180deg=0.955) USER MOD Single : A 63 ASN : amide:sc= 1.3 K(o=1.3,f=-5.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -135:sc= -1.05 (180deg=-4.12!) USER MOD Single : A 77 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.2!) USER MOD Single : A 81 HIS : no HD1:sc=-0.00952 X(o=-0.0095,f=-0.097) USER MOD Single : A 90 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.1) USER MOD Single : A 93 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.04) USER MOD Single : A 96 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-4.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00613 USER MOD Single : A 102 SER OG : rot -62:sc= 1.51 USER MOD Single : A 106 CYS SG : rot 171:sc= 0.188 USER MOD Single : A 107 ASN : amide:sc= -0.586 K(o=-0.59,f=-0.014) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 111:sc= 0.363 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.201 USER MOD Single : A 128 ASN : amide:sc= -13.5! C(o=-14!,f=-9.4!) USER MOD Single : A 131 CYS SG : rot 178:sc= 0.174 USER MOD Single : A 132 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 135 LYS NZ :NH3+ 174:sc= 0.811 (180deg=0.734) USER MOD Single : A 137 HIS : no HD1:sc= -0.0712 X(o=-0.071,f=0.0084) USER MOD Single : A 138 SER OG : rot 24:sc= -1.61! USER MOD Single : B 27 SER OG : rot -18:sc= 0.582 USER MOD Single : B 29 SER OG : rot 180:sc= 0.00161 USER MOD Single : B 33 GLN : amide:sc= 0.213 X(o=0.21,f=-0.014) USER MOD Single : B 34 TYR OH : rot 20:sc= 0.507 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.673 6.125 -0.158 1.00 0.57 N ATOM 118 CA TYR A 59 -13.473 6.946 -0.162 1.00 0.44 C ATOM 119 C TYR A 59 -12.598 6.571 -1.345 1.00 0.41 C ATOM 120 O TYR A 59 -11.389 6.780 -1.322 1.00 0.42 O ATOM 121 CB TYR A 59 -12.688 6.791 1.146 1.00 0.66 C ATOM 122 CG TYR A 59 -13.378 7.396 2.339 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.495 6.792 2.861 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.918 8.562 2.935 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.151 7.317 3.950 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.566 9.101 4.031 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.687 8.472 4.533 1.00 1.34 C ATOM 128 OH TYR A 59 -15.346 8.995 5.622 1.00 1.64 O ATOM 0 HA TYR A 59 -13.774 7.990 -0.250 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.518 5.731 1.334 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.709 7.255 1.029 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.867 5.885 2.407 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.043 9.055 2.538 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.027 6.824 4.345 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.198 10.007 4.490 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.893 9.812 5.917 1.00 1.64 H new ATOM 138 N LYS A 60 -13.229 6.021 -2.382 1.00 0.42 N ATOM 139 CA LYS A 60 -12.510 5.524 -3.550 1.00 0.43 C ATOM 140 C LYS A 60 -11.634 6.613 -4.151 1.00 0.40 C ATOM 141 O LYS A 60 -10.423 6.454 -4.250 1.00 0.41 O ATOM 142 CB LYS A 60 -13.489 5.007 -4.605 1.00 0.52 C ATOM 143 CG LYS A 60 -12.823 4.181 -5.699 1.00 1.16 C ATOM 144 CD LYS A 60 -13.844 3.588 -6.660 1.00 1.35 C ATOM 145 CE LYS A 60 -14.282 4.591 -7.711 1.00 1.75 C ATOM 146 NZ LYS A 60 -13.190 4.906 -8.672 1.00 2.29 N ATOM 0 H LYS A 60 -14.241 5.909 -2.435 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.872 4.702 -3.225 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.251 4.400 -4.116 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.000 5.855 -5.061 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.124 4.807 -6.253 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.242 3.378 -5.245 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -13.416 2.713 -7.149 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.714 3.246 -6.100 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -15.140 4.195 -8.254 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -14.610 5.508 -7.222 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -13.601 5.194 -9.583 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -12.608 5.681 -8.294 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.596 4.063 -8.811 1.00 2.29 H new ATOM 160 N LEU A 61 -12.260 7.726 -4.518 1.00 0.45 N ATOM 161 CA LEU A 61 -11.555 8.861 -5.110 1.00 0.49 C ATOM 162 C LEU A 61 -10.361 9.278 -4.256 1.00 0.38 C ATOM 163 O LEU A 61 -9.269 9.508 -4.775 1.00 0.41 O ATOM 164 CB LEU A 61 -12.506 10.055 -5.303 1.00 0.62 C ATOM 165 CG LEU A 61 -13.209 10.571 -4.039 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.627 12.018 -4.223 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.431 9.724 -3.703 1.00 0.81 C ATOM 0 H LEU A 61 -13.265 7.868 -4.415 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.185 8.544 -6.085 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.940 10.877 -5.740 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.269 9.772 -6.028 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.502 10.500 -3.212 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.124 12.371 -3.319 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.745 12.630 -4.415 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.312 12.094 -5.067 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.908 10.114 -2.803 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.137 9.759 -4.532 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.123 8.692 -3.533 1.00 0.81 H new ATOM 179 N GLU A 62 -10.574 9.365 -2.947 1.00 0.33 N ATOM 180 CA GLU A 62 -9.507 9.700 -2.023 1.00 0.30 C ATOM 181 C GLU A 62 -8.384 8.689 -2.084 1.00 0.26 C ATOM 182 O GLU A 62 -7.247 9.049 -2.346 1.00 0.32 O ATOM 183 CB GLU A 62 -10.041 9.799 -0.598 1.00 0.41 C ATOM 184 CG GLU A 62 -10.551 11.180 -0.285 1.00 0.50 C ATOM 185 CD GLU A 62 -10.770 11.418 1.196 1.00 1.29 C ATOM 186 OE1 GLU A 62 -9.788 11.714 1.911 1.00 1.51 O ATOM 187 OE2 GLU A 62 -11.923 11.281 1.657 1.00 2.00 O ATOM 0 H GLU A 62 -11.480 9.207 -2.506 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.108 10.670 -2.322 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.844 9.075 -0.460 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.251 9.536 0.105 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -9.841 11.916 -0.663 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.490 11.341 -0.814 1.00 0.50 H new ATOM 194 N ASN A 63 -8.726 7.426 -1.901 1.00 0.24 N ATOM 195 CA ASN A 63 -7.732 6.359 -1.805 1.00 0.23 C ATOM 196 C ASN A 63 -6.962 6.185 -3.110 1.00 0.21 C ATOM 197 O ASN A 63 -5.801 5.775 -3.099 1.00 0.22 O ATOM 198 CB ASN A 63 -8.390 5.035 -1.416 1.00 0.33 C ATOM 199 CG ASN A 63 -9.088 5.099 -0.070 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.689 5.854 0.812 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.135 4.303 0.097 1.00 0.90 N ATOM 0 H ASN A 63 -9.691 7.107 -1.815 1.00 0.24 H new ATOM 0 HA ASN A 63 -7.026 6.650 -1.028 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -9.113 4.755 -2.182 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.633 4.252 -1.391 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.640 4.304 0.983 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.435 3.690 -0.661 1.00 0.90 H new ATOM 208 N GLU A 64 -7.607 6.486 -4.232 1.00 0.23 N ATOM 209 CA GLU A 64 -6.956 6.410 -5.526 1.00 0.29 C ATOM 210 C GLU A 64 -5.823 7.427 -5.626 1.00 0.29 C ATOM 211 O GLU A 64 -4.691 7.070 -5.958 1.00 0.35 O ATOM 212 CB GLU A 64 -7.980 6.626 -6.642 1.00 0.38 C ATOM 213 CG GLU A 64 -9.050 5.551 -6.685 1.00 0.41 C ATOM 214 CD GLU A 64 -9.893 5.590 -7.945 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.487 4.974 -8.957 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.977 6.216 -7.929 1.00 0.69 O ATOM 0 H GLU A 64 -8.582 6.785 -4.267 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.522 5.416 -5.638 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.455 7.598 -6.508 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.463 6.654 -7.601 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.575 4.573 -6.604 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.701 5.662 -5.818 1.00 0.41 H new ATOM 223 N LYS A 65 -6.129 8.685 -5.326 1.00 0.27 N ATOM 224 CA LYS A 65 -5.114 9.734 -5.302 1.00 0.30 C ATOM 225 C LYS A 65 -4.137 9.470 -4.177 1.00 0.23 C ATOM 226 O LYS A 65 -2.931 9.613 -4.317 1.00 0.30 O ATOM 227 CB LYS A 65 -5.748 11.093 -5.067 1.00 0.39 C ATOM 228 CG LYS A 65 -6.870 11.427 -6.010 1.00 0.65 C ATOM 229 CD LYS A 65 -7.525 12.746 -5.630 1.00 1.23 C ATOM 230 CE LYS A 65 -6.491 13.852 -5.463 1.00 2.14 C ATOM 231 NZ LYS A 65 -7.102 15.121 -4.998 1.00 2.98 N ATOM 0 H LYS A 65 -7.070 9.003 -5.096 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.604 9.732 -6.265 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.125 11.133 -4.045 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.978 11.859 -5.153 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.488 11.487 -7.029 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.613 10.630 -5.994 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.244 13.031 -6.398 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.082 12.623 -4.701 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -5.731 13.533 -4.749 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -5.985 14.021 -6.413 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -6.363 15.846 -4.898 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -7.809 15.440 -5.691 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -7.563 14.968 -4.079 1.00 2.98 H new ATOM 245 N LEU A 66 -4.700 9.086 -3.059 1.00 0.16 N ATOM 246 CA LEU A 66 -3.955 8.832 -1.844 1.00 0.15 C ATOM 247 C LEU A 66 -2.821 7.843 -2.058 1.00 0.15 C ATOM 248 O LEU A 66 -1.680 8.097 -1.669 1.00 0.18 O ATOM 249 CB LEU A 66 -4.916 8.276 -0.811 1.00 0.15 C ATOM 250 CG LEU A 66 -5.062 9.110 0.433 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.344 8.749 1.164 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.846 8.894 1.299 1.00 0.22 C ATOM 0 H LEU A 66 -5.705 8.938 -2.962 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.508 9.769 -1.511 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.897 8.163 -1.272 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.582 7.279 -0.525 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.129 10.167 0.175 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.436 9.361 2.062 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.198 8.931 0.512 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.319 7.696 1.444 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.935 9.492 2.206 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.771 7.840 1.565 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.952 9.195 0.753 1.00 0.22 H new ATOM 264 N PHE A 67 -3.151 6.705 -2.646 1.00 0.14 N ATOM 265 CA PHE A 67 -2.168 5.677 -2.926 1.00 0.15 C ATOM 266 C PHE A 67 -1.002 6.231 -3.731 1.00 0.17 C ATOM 267 O PHE A 67 0.161 5.939 -3.440 1.00 0.20 O ATOM 268 CB PHE A 67 -2.808 4.524 -3.685 1.00 0.15 C ATOM 269 CG PHE A 67 -2.141 3.222 -3.399 1.00 0.16 C ATOM 270 CD1 PHE A 67 -1.001 2.830 -4.081 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.651 2.403 -2.420 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.387 1.628 -3.785 1.00 0.19 C ATOM 273 CE2 PHE A 67 -2.048 1.207 -2.117 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.911 0.814 -2.799 1.00 0.19 C ATOM 0 H PHE A 67 -4.099 6.471 -2.940 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.788 5.316 -1.970 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.863 4.456 -3.418 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.763 4.726 -4.755 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.589 3.468 -4.849 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.538 2.704 -1.882 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.500 1.326 -4.323 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.462 0.574 -1.346 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.434 -0.126 -2.562 1.00 0.19 H new ATOM 284 N GLU A 68 -1.306 7.045 -4.730 1.00 0.18 N ATOM 285 CA GLU A 68 -0.264 7.597 -5.567 1.00 0.23 C ATOM 286 C GLU A 68 0.491 8.710 -4.839 1.00 0.19 C ATOM 287 O GLU A 68 1.650 8.959 -5.152 1.00 0.24 O ATOM 288 CB GLU A 68 -0.797 8.051 -6.936 1.00 0.40 C ATOM 289 CG GLU A 68 -1.883 9.098 -6.883 1.00 0.54 C ATOM 290 CD GLU A 68 -2.373 9.511 -8.258 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.527 9.786 -9.140 1.00 1.81 O ATOM 292 OE2 GLU A 68 -3.604 9.549 -8.474 1.00 1.39 O ATOM 0 H GLU A 68 -2.254 7.332 -4.975 1.00 0.18 H new ATOM 0 HA GLU A 68 0.450 6.799 -5.772 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.035 8.442 -7.522 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.179 7.179 -7.467 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.723 8.714 -6.304 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.508 9.976 -6.357 1.00 0.54 H new ATOM 299 N GLU A 69 -0.132 9.348 -3.833 1.00 0.19 N ATOM 300 CA GLU A 69 0.577 10.355 -3.033 1.00 0.22 C ATOM 301 C GLU A 69 1.806 9.718 -2.395 1.00 0.20 C ATOM 302 O GLU A 69 2.850 10.351 -2.216 1.00 0.28 O ATOM 303 CB GLU A 69 -0.312 10.947 -1.931 1.00 0.26 C ATOM 304 CG GLU A 69 -1.628 11.496 -2.442 1.00 0.34 C ATOM 305 CD GLU A 69 -2.361 12.350 -1.426 1.00 1.02 C ATOM 306 OE1 GLU A 69 -2.056 13.557 -1.318 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.241 11.812 -0.717 1.00 1.78 O ATOM 0 H GLU A 69 -1.102 9.188 -3.561 1.00 0.19 H new ATOM 0 HA GLU A 69 0.866 11.166 -3.702 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.514 10.177 -1.186 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.233 11.744 -1.426 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.442 12.089 -3.337 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.269 10.665 -2.737 1.00 0.34 H new ATOM 314 N PHE A 70 1.651 8.447 -2.060 1.00 0.15 N ATOM 315 CA PHE A 70 2.719 7.636 -1.505 1.00 0.13 C ATOM 316 C PHE A 70 3.735 7.280 -2.587 1.00 0.13 C ATOM 317 O PHE A 70 4.936 7.466 -2.411 1.00 0.14 O ATOM 318 CB PHE A 70 2.097 6.373 -0.914 1.00 0.12 C ATOM 319 CG PHE A 70 3.022 5.542 -0.075 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.197 5.047 -0.597 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.682 5.219 1.223 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.024 4.246 0.157 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.508 4.423 1.992 1.00 0.11 C ATOM 324 CZ PHE A 70 4.681 3.932 1.455 1.00 0.11 C ATOM 0 H PHE A 70 0.769 7.945 -2.168 1.00 0.15 H new ATOM 0 HA PHE A 70 3.246 8.190 -0.728 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.239 6.659 -0.306 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.719 5.757 -1.730 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.473 5.291 -1.612 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.760 5.593 1.642 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.941 3.864 -0.268 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.237 4.185 3.010 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.328 3.304 2.050 1.00 0.11 H new ATOM 334 N LEU A 71 3.239 6.778 -3.707 1.00 0.14 N ATOM 335 CA LEU A 71 4.083 6.305 -4.789 1.00 0.15 C ATOM 336 C LEU A 71 4.940 7.397 -5.375 1.00 0.16 C ATOM 337 O LEU A 71 6.134 7.211 -5.583 1.00 0.18 O ATOM 338 CB LEU A 71 3.204 5.725 -5.861 1.00 0.17 C ATOM 339 CG LEU A 71 2.629 4.381 -5.503 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.816 3.865 -6.655 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.758 3.439 -5.147 1.00 0.16 C ATOM 0 H LEU A 71 2.240 6.688 -3.890 1.00 0.14 H new ATOM 0 HA LEU A 71 4.760 5.552 -4.385 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.388 6.418 -6.065 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.780 5.631 -6.781 1.00 0.17 H new ATOM 0 HG LEU A 71 1.970 4.463 -4.639 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.398 2.891 -6.398 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.006 4.562 -6.870 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.453 3.766 -7.534 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.349 2.463 -4.886 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.428 3.335 -6.000 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.311 3.839 -4.297 1.00 0.16 H new ATOM 353 N GLU A 72 4.326 8.522 -5.647 1.00 0.16 N ATOM 354 CA GLU A 72 5.023 9.653 -6.217 1.00 0.19 C ATOM 355 C GLU A 72 6.157 10.088 -5.295 1.00 0.18 C ATOM 356 O GLU A 72 7.192 10.572 -5.748 1.00 0.21 O ATOM 357 CB GLU A 72 4.027 10.773 -6.478 1.00 0.24 C ATOM 358 CG GLU A 72 2.877 10.321 -7.365 1.00 0.29 C ATOM 359 CD GLU A 72 3.253 10.261 -8.827 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.888 11.216 -9.318 1.00 1.21 O ATOM 361 OE2 GLU A 72 2.920 9.259 -9.494 1.00 1.17 O ATOM 0 H GLU A 72 3.332 8.681 -5.481 1.00 0.16 H new ATOM 0 HA GLU A 72 5.476 9.378 -7.170 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.632 11.134 -5.529 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.540 11.611 -6.949 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.540 9.337 -7.041 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.037 11.004 -7.238 1.00 0.29 H new ATOM 368 N LEU A 73 5.950 9.893 -3.998 1.00 0.16 N ATOM 369 CA LEU A 73 6.998 10.076 -3.011 1.00 0.16 C ATOM 370 C LEU A 73 8.026 8.953 -3.115 1.00 0.15 C ATOM 371 O LEU A 73 9.232 9.203 -3.118 1.00 0.18 O ATOM 372 CB LEU A 73 6.380 10.087 -1.614 1.00 0.16 C ATOM 373 CG LEU A 73 7.344 9.805 -0.467 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.767 11.093 0.217 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.705 8.836 0.515 1.00 0.16 C ATOM 0 H LEU A 73 5.054 9.605 -3.606 1.00 0.16 H new ATOM 0 HA LEU A 73 7.501 11.025 -3.196 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.919 11.061 -1.447 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.580 9.347 -1.584 1.00 0.16 H new ATOM 0 HG LEU A 73 8.246 9.343 -0.868 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.454 10.864 1.031 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.263 11.742 -0.505 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.888 11.599 0.616 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.398 8.637 1.333 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.789 9.273 0.913 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.470 7.902 0.004 1.00 0.16 H new ATOM 387 N CYS A 74 7.539 7.719 -3.221 1.00 0.13 N ATOM 388 CA CYS A 74 8.400 6.548 -3.262 1.00 0.13 C ATOM 389 C CYS A 74 9.373 6.627 -4.433 1.00 0.15 C ATOM 390 O CYS A 74 10.516 6.205 -4.319 1.00 0.18 O ATOM 391 CB CYS A 74 7.548 5.285 -3.362 1.00 0.16 C ATOM 392 SG CYS A 74 8.467 3.752 -3.138 1.00 0.50 S ATOM 0 H CYS A 74 6.543 7.507 -3.280 1.00 0.13 H new ATOM 0 HA CYS A 74 8.984 6.514 -2.343 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.757 5.334 -2.613 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.062 5.265 -4.338 1.00 0.16 H new ATOM 0 HG CYS A 74 9.524 3.765 -3.894 1.00 0.50 H new ATOM 398 N LYS A 75 8.923 7.198 -5.547 1.00 0.18 N ATOM 399 CA LYS A 75 9.758 7.345 -6.732 1.00 0.22 C ATOM 400 C LYS A 75 10.983 8.210 -6.449 1.00 0.22 C ATOM 401 O LYS A 75 12.003 8.099 -7.129 1.00 0.26 O ATOM 402 CB LYS A 75 8.945 7.958 -7.854 1.00 0.28 C ATOM 403 CG LYS A 75 7.653 7.217 -8.121 1.00 0.57 C ATOM 404 CD LYS A 75 6.901 7.852 -9.258 1.00 0.61 C ATOM 405 CE LYS A 75 5.483 7.344 -9.357 1.00 0.38 C ATOM 406 NZ LYS A 75 4.842 7.716 -10.643 1.00 0.96 N ATOM 0 H LYS A 75 7.978 7.568 -5.652 1.00 0.18 H new ATOM 0 HA LYS A 75 10.107 6.355 -7.026 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.718 8.995 -7.606 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.544 7.971 -8.764 1.00 0.28 H new ATOM 0 HG2 LYS A 75 7.868 6.175 -8.358 1.00 0.57 H new ATOM 0 HG3 LYS A 75 7.035 7.219 -7.223 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.889 8.934 -9.125 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.423 7.652 -10.194 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.480 6.259 -9.252 1.00 0.38 H new ATOM 0 HE3 LYS A 75 4.896 7.746 -8.531 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.018 8.323 -10.457 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 5.525 8.230 -11.235 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 4.533 6.855 -11.139 1.00 0.96 H new ATOM 420 N MET A 76 10.880 9.056 -5.431 1.00 0.22 N ATOM 421 CA MET A 76 11.954 9.972 -5.085 1.00 0.26 C ATOM 422 C MET A 76 12.870 9.306 -4.080 1.00 0.25 C ATOM 423 O MET A 76 14.079 9.532 -4.056 1.00 0.32 O ATOM 424 CB MET A 76 11.396 11.258 -4.465 1.00 0.29 C ATOM 425 CG MET A 76 10.135 11.777 -5.123 1.00 0.27 C ATOM 426 SD MET A 76 9.595 13.357 -4.440 1.00 0.32 S ATOM 427 CE MET A 76 9.382 12.925 -2.713 1.00 0.35 C ATOM 0 H MET A 76 10.059 9.125 -4.830 1.00 0.22 H new ATOM 0 HA MET A 76 12.499 10.225 -5.994 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.192 11.079 -3.409 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.162 12.032 -4.515 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.308 11.888 -6.193 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.339 11.043 -5.003 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.442 13.339 -2.348 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.366 11.840 -2.609 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.209 13.333 -2.131 1.00 0.35 H new ATOM 437 N GLN A 77 12.267 8.466 -3.259 1.00 0.21 N ATOM 438 CA GLN A 77 12.956 7.824 -2.159 1.00 0.22 C ATOM 439 C GLN A 77 13.661 6.567 -2.632 1.00 0.21 C ATOM 440 O GLN A 77 14.881 6.451 -2.547 1.00 0.24 O ATOM 441 CB GLN A 77 11.943 7.448 -1.083 1.00 0.23 C ATOM 442 CG GLN A 77 10.997 8.569 -0.681 1.00 0.30 C ATOM 443 CD GLN A 77 11.646 9.634 0.170 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.843 9.901 0.068 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.846 10.249 1.024 1.00 0.48 N ATOM 0 H GLN A 77 11.283 8.210 -3.338 1.00 0.21 H new ATOM 0 HA GLN A 77 13.696 8.517 -1.758 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.353 6.603 -1.438 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.482 7.111 -0.198 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.593 9.032 -1.581 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.155 8.144 -0.136 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.860 9.994 1.073 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.215 10.979 1.634 1.00 0.48 H new ATOM 454 N THR A 78 12.879 5.637 -3.165 1.00 0.18 N ATOM 455 CA THR A 78 13.400 4.374 -3.639 1.00 0.20 C ATOM 456 C THR A 78 13.851 4.517 -5.082 1.00 0.22 C ATOM 457 O THR A 78 13.622 3.645 -5.914 1.00 0.24 O ATOM 458 CB THR A 78 12.341 3.257 -3.524 1.00 0.20 C ATOM 459 OG1 THR A 78 11.235 3.527 -4.397 1.00 0.56 O ATOM 460 CG2 THR A 78 11.836 3.150 -2.097 1.00 0.42 C ATOM 0 H THR A 78 11.871 5.742 -3.278 1.00 0.18 H new ATOM 0 HA THR A 78 14.251 4.097 -3.017 1.00 0.20 H new ATOM 0 HB THR A 78 12.808 2.315 -3.812 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.085 4.494 -4.446 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.090 2.358 -2.033 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.669 2.918 -1.433 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.386 4.097 -1.798 1.00 0.42 H new ATOM 468 N ALA A 79 14.490 5.639 -5.367 1.00 0.25 N ATOM 469 CA ALA A 79 14.977 5.935 -6.700 1.00 0.30 C ATOM 470 C ALA A 79 16.101 4.979 -7.082 1.00 0.34 C ATOM 471 O ALA A 79 16.354 4.731 -8.260 1.00 0.42 O ATOM 472 CB ALA A 79 15.444 7.376 -6.755 1.00 0.32 C ATOM 0 H ALA A 79 14.685 6.368 -4.681 1.00 0.25 H new ATOM 0 HA ALA A 79 14.170 5.799 -7.420 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.811 7.602 -7.756 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.611 8.038 -6.516 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.246 7.526 -6.032 1.00 0.32 H new ATOM 478 N ASP A 80 16.766 4.445 -6.065 1.00 0.35 N ATOM 479 CA ASP A 80 17.825 3.458 -6.258 1.00 0.44 C ATOM 480 C ASP A 80 17.232 2.057 -6.424 1.00 0.38 C ATOM 481 O ASP A 80 17.887 1.142 -6.912 1.00 0.44 O ATOM 482 CB ASP A 80 18.791 3.493 -5.064 1.00 0.59 C ATOM 483 CG ASP A 80 19.904 2.469 -5.174 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.830 2.678 -5.983 1.00 2.29 O ATOM 485 OD2 ASP A 80 19.854 1.448 -4.458 1.00 1.68 O ATOM 0 H ASP A 80 16.589 4.681 -5.089 1.00 0.35 H new ATOM 0 HA ASP A 80 18.374 3.704 -7.167 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.227 4.489 -4.985 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.231 3.317 -4.145 1.00 0.59 H new ATOM 490 N HIS A 81 15.971 1.906 -6.032 1.00 0.35 N ATOM 491 CA HIS A 81 15.280 0.619 -6.110 1.00 0.39 C ATOM 492 C HIS A 81 13.882 0.819 -6.687 1.00 0.34 C ATOM 493 O HIS A 81 12.888 0.768 -5.961 1.00 0.30 O ATOM 494 CB HIS A 81 15.177 -0.047 -4.728 1.00 0.49 C ATOM 495 CG HIS A 81 16.488 -0.498 -4.151 1.00 0.86 C ATOM 496 ND1 HIS A 81 17.121 -1.662 -4.530 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.274 0.058 -3.199 1.00 0.60 C ATOM 498 CE1 HIS A 81 18.235 -1.801 -3.837 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.351 -0.771 -3.022 1.00 1.12 N ATOM 0 H HIS A 81 15.402 2.663 -5.654 1.00 0.35 H new ATOM 0 HA HIS A 81 15.859 -0.036 -6.761 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.712 0.655 -4.035 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.513 -0.908 -4.803 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.087 0.984 -2.676 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.934 -2.620 -3.923 1.00 2.11 H new ATOM 0 HE2 HIS A 81 19.117 -0.616 -2.367 1.00 1.12 H new ATOM 508 N PRO A 82 13.791 1.046 -8.009 1.00 0.39 N ATOM 509 CA PRO A 82 12.528 1.374 -8.689 1.00 0.39 C ATOM 510 C PRO A 82 11.556 0.199 -8.792 1.00 0.35 C ATOM 511 O PRO A 82 10.683 0.188 -9.654 1.00 0.39 O ATOM 512 CB PRO A 82 12.991 1.787 -10.082 1.00 0.50 C ATOM 513 CG PRO A 82 14.257 1.047 -10.293 1.00 0.53 C ATOM 514 CD PRO A 82 14.922 1.015 -8.954 1.00 0.48 C ATOM 0 HA PRO A 82 11.973 2.135 -8.141 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.250 1.528 -10.838 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.147 2.864 -10.144 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.067 0.039 -10.662 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.885 1.544 -11.032 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.527 0.117 -8.827 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.585 1.868 -8.815 1.00 0.48 H new ATOM 522 N GLU A 83 11.704 -0.788 -7.926 1.00 0.29 N ATOM 523 CA GLU A 83 10.804 -1.930 -7.919 1.00 0.26 C ATOM 524 C GLU A 83 9.608 -1.680 -7.007 1.00 0.19 C ATOM 525 O GLU A 83 8.511 -2.169 -7.259 1.00 0.22 O ATOM 526 CB GLU A 83 11.549 -3.187 -7.490 1.00 0.33 C ATOM 527 CG GLU A 83 12.577 -3.643 -8.506 1.00 0.49 C ATOM 528 CD GLU A 83 11.967 -3.901 -9.868 1.00 1.32 C ATOM 529 OE1 GLU A 83 11.457 -5.016 -10.098 1.00 1.72 O ATOM 530 OE2 GLU A 83 11.992 -2.983 -10.718 1.00 2.05 O ATOM 0 H GLU A 83 12.438 -0.823 -7.219 1.00 0.29 H new ATOM 0 HA GLU A 83 10.429 -2.074 -8.932 1.00 0.26 H new ATOM 0 HB2 GLU A 83 12.045 -3.001 -6.538 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.830 -3.989 -7.323 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.355 -2.885 -8.597 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.059 -4.553 -8.148 1.00 0.49 H new ATOM 537 N VAL A 84 9.834 -0.897 -5.957 1.00 0.15 N ATOM 538 CA VAL A 84 8.820 -0.631 -4.937 1.00 0.11 C ATOM 539 C VAL A 84 7.524 -0.070 -5.525 1.00 0.11 C ATOM 540 O VAL A 84 6.444 -0.626 -5.332 1.00 0.13 O ATOM 541 CB VAL A 84 9.329 0.412 -3.943 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.383 0.494 -2.778 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.747 0.118 -3.486 1.00 0.14 C ATOM 0 H VAL A 84 10.724 -0.428 -5.787 1.00 0.15 H new ATOM 0 HA VAL A 84 8.622 -1.591 -4.460 1.00 0.11 H new ATOM 0 HB VAL A 84 9.363 1.379 -4.444 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.744 1.238 -2.068 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.393 0.782 -3.133 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.324 -0.478 -2.288 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.068 0.884 -2.781 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.778 -0.858 -3.001 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.414 0.116 -4.348 1.00 0.14 H new ATOM 553 N VAL A 85 7.657 1.049 -6.226 1.00 0.11 N ATOM 554 CA VAL A 85 6.518 1.765 -6.805 1.00 0.13 C ATOM 555 C VAL A 85 5.687 0.862 -7.724 1.00 0.15 C ATOM 556 O VAL A 85 4.487 0.707 -7.501 1.00 0.16 O ATOM 557 CB VAL A 85 6.997 3.023 -7.563 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.832 3.907 -7.952 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.984 3.793 -6.711 1.00 0.15 C ATOM 0 H VAL A 85 8.558 1.490 -6.412 1.00 0.11 H new ATOM 0 HA VAL A 85 5.873 2.077 -5.984 1.00 0.13 H new ATOM 0 HB VAL A 85 7.490 2.702 -8.481 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.202 4.784 -8.484 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.153 3.351 -8.598 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.301 4.224 -7.055 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.318 4.679 -7.251 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.503 4.095 -5.781 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.843 3.160 -6.487 1.00 0.15 H new ATOM 569 N PRO A 86 6.296 0.239 -8.758 1.00 0.17 N ATOM 570 CA PRO A 86 5.587 -0.719 -9.620 1.00 0.20 C ATOM 571 C PRO A 86 4.964 -1.862 -8.821 1.00 0.18 C ATOM 572 O PRO A 86 3.871 -2.333 -9.142 1.00 0.20 O ATOM 573 CB PRO A 86 6.679 -1.249 -10.553 1.00 0.23 C ATOM 574 CG PRO A 86 7.712 -0.178 -10.570 1.00 0.22 C ATOM 575 CD PRO A 86 7.691 0.433 -9.197 1.00 0.17 C ATOM 0 HA PRO A 86 4.756 -0.251 -10.148 1.00 0.20 H new ATOM 0 HB2 PRO A 86 7.090 -2.190 -10.188 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.288 -1.439 -11.553 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.696 -0.587 -10.801 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.490 0.568 -11.333 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.395 -0.060 -8.527 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.961 1.489 -9.223 1.00 0.17 H new ATOM 583 N PHE A 87 5.657 -2.294 -7.773 1.00 0.16 N ATOM 584 CA PHE A 87 5.155 -3.352 -6.907 1.00 0.15 C ATOM 585 C PHE A 87 3.873 -2.900 -6.206 1.00 0.14 C ATOM 586 O PHE A 87 2.869 -3.618 -6.212 1.00 0.16 O ATOM 587 CB PHE A 87 6.221 -3.748 -5.886 1.00 0.17 C ATOM 588 CG PHE A 87 5.898 -4.994 -5.116 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.962 -5.878 -5.603 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.525 -5.279 -3.912 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.652 -7.032 -4.912 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.221 -6.430 -3.213 1.00 0.25 C ATOM 593 CZ PHE A 87 5.320 -7.288 -3.666 1.00 0.38 C ATOM 0 H PHE A 87 6.569 -1.926 -7.503 1.00 0.16 H new ATOM 0 HA PHE A 87 4.921 -4.225 -7.516 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.170 -3.889 -6.404 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.360 -2.926 -5.184 1.00 0.17 H new ATOM 0 HD1 PHE A 87 4.464 -5.666 -6.538 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.259 -4.593 -3.517 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.923 -7.728 -5.300 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.727 -6.634 -2.281 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.088 -8.178 -3.100 1.00 0.38 H new ATOM 603 N LEU A 88 3.902 -1.703 -5.622 1.00 0.12 N ATOM 604 CA LEU A 88 2.719 -1.141 -4.975 1.00 0.13 C ATOM 605 C LEU A 88 1.605 -0.913 -5.987 1.00 0.14 C ATOM 606 O LEU A 88 0.434 -1.172 -5.700 1.00 0.16 O ATOM 607 CB LEU A 88 3.049 0.175 -4.272 1.00 0.13 C ATOM 608 CG LEU A 88 3.993 0.067 -3.078 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.964 1.358 -2.275 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.616 -1.123 -2.209 1.00 0.20 C ATOM 0 H LEU A 88 4.728 -1.106 -5.584 1.00 0.12 H new ATOM 0 HA LEU A 88 2.381 -1.861 -4.230 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.491 0.855 -5.001 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.117 0.630 -3.936 1.00 0.13 H new ATOM 0 HG LEU A 88 5.008 -0.091 -3.441 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.640 1.273 -1.425 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.280 2.187 -2.908 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.951 1.541 -1.916 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.299 -1.186 -1.362 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.596 -0.999 -1.845 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.682 -2.038 -2.797 1.00 0.20 H new ATOM 622 N TYR A 89 1.981 -0.444 -7.173 1.00 0.16 N ATOM 623 CA TYR A 89 1.015 -0.205 -8.245 1.00 0.20 C ATOM 624 C TYR A 89 0.263 -1.487 -8.556 1.00 0.21 C ATOM 625 O TYR A 89 -0.967 -1.526 -8.560 1.00 0.25 O ATOM 626 CB TYR A 89 1.710 0.259 -9.533 1.00 0.22 C ATOM 627 CG TYR A 89 1.821 1.756 -9.721 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.699 2.533 -9.989 1.00 0.34 C ATOM 629 CD2 TYR A 89 3.053 2.387 -9.664 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.807 3.900 -10.187 1.00 0.42 C ATOM 631 CE2 TYR A 89 3.170 3.747 -9.866 1.00 0.37 C ATOM 632 CZ TYR A 89 2.048 4.502 -10.125 1.00 0.43 C ATOM 633 OH TYR A 89 2.173 5.860 -10.330 1.00 0.54 O ATOM 0 H TYR A 89 2.946 -0.222 -7.418 1.00 0.16 H new ATOM 0 HA TYR A 89 0.333 0.573 -7.902 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.714 -0.166 -9.555 1.00 0.22 H new ATOM 0 HB3 TYR A 89 1.170 -0.156 -10.384 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.272 2.063 -10.044 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.938 1.804 -9.458 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.074 4.491 -10.389 1.00 0.42 H new ATOM 0 HE2 TYR A 89 4.140 4.219 -9.821 1.00 0.37 H new ATOM 0 HH TYR A 89 2.938 6.199 -9.820 1.00 0.54 H new ATOM 643 N ASN A 90 1.032 -2.544 -8.769 1.00 0.19 N ATOM 644 CA ASN A 90 0.502 -3.820 -9.201 1.00 0.23 C ATOM 645 C ASN A 90 -0.371 -4.432 -8.123 1.00 0.22 C ATOM 646 O ASN A 90 -1.477 -4.893 -8.394 1.00 0.27 O ATOM 647 CB ASN A 90 1.648 -4.762 -9.531 1.00 0.27 C ATOM 648 CG ASN A 90 1.197 -5.946 -10.360 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.237 -5.911 -11.589 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.754 -6.997 -9.695 1.00 0.67 N ATOM 0 H ASN A 90 2.044 -2.537 -8.645 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.109 -3.661 -10.090 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.421 -4.215 -10.072 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.099 -5.120 -8.606 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.428 -7.821 -10.201 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.737 -6.985 -8.675 1.00 0.67 H new ATOM 657 N ARG A 91 0.134 -4.415 -6.897 1.00 0.19 N ATOM 658 CA ARG A 91 -0.587 -4.978 -5.767 1.00 0.20 C ATOM 659 C ARG A 91 -1.946 -4.307 -5.598 1.00 0.20 C ATOM 660 O ARG A 91 -2.929 -4.968 -5.273 1.00 0.22 O ATOM 661 CB ARG A 91 0.231 -4.836 -4.484 1.00 0.22 C ATOM 662 CG ARG A 91 -0.494 -5.351 -3.253 1.00 0.26 C ATOM 663 CD ARG A 91 -0.626 -6.861 -3.249 1.00 0.36 C ATOM 664 NE ARG A 91 0.495 -7.478 -2.538 1.00 0.80 N ATOM 665 CZ ARG A 91 0.707 -8.789 -2.439 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.100 -9.650 -3.039 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.747 -9.238 -1.745 1.00 1.25 N ATOM 0 H ARG A 91 1.043 -4.016 -6.661 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.748 -6.037 -5.966 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.170 -5.377 -4.598 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.484 -3.786 -4.336 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.043 -5.034 -2.359 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.486 -4.902 -3.205 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.565 -7.147 -2.775 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.660 -7.230 -4.274 1.00 0.36 H new ATOM 0 HE ARG A 91 1.164 -6.857 -2.084 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.893 -9.311 -3.584 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.071 -10.652 -2.957 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.379 -8.579 -1.290 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.913 -10.241 -1.667 1.00 1.25 H new ATOM 681 N GLN A 92 -2.000 -2.996 -5.831 1.00 0.19 N ATOM 682 CA GLN A 92 -3.252 -2.257 -5.710 1.00 0.21 C ATOM 683 C GLN A 92 -4.227 -2.674 -6.801 1.00 0.24 C ATOM 684 O GLN A 92 -5.431 -2.751 -6.575 1.00 0.26 O ATOM 685 CB GLN A 92 -3.018 -0.748 -5.788 1.00 0.23 C ATOM 686 CG GLN A 92 -4.292 0.060 -5.583 1.00 0.34 C ATOM 687 CD GLN A 92 -4.127 1.524 -5.927 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.337 1.885 -6.795 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.878 2.378 -5.250 1.00 0.78 N ATOM 0 H GLN A 92 -1.197 -2.429 -6.103 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.677 -2.493 -4.734 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.285 -0.459 -5.034 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.590 -0.501 -6.760 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.087 -0.364 -6.196 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.609 -0.030 -4.544 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.522 2.036 -4.537 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.813 3.378 -5.442 1.00 0.78 H new ATOM 698 N GLN A 93 -3.694 -2.955 -7.981 1.00 0.26 N ATOM 699 CA GLN A 93 -4.522 -3.349 -9.111 1.00 0.32 C ATOM 700 C GLN A 93 -5.031 -4.768 -8.905 1.00 0.34 C ATOM 701 O GLN A 93 -6.076 -5.153 -9.429 1.00 0.40 O ATOM 702 CB GLN A 93 -3.741 -3.275 -10.430 1.00 0.36 C ATOM 703 CG GLN A 93 -3.052 -1.948 -10.696 1.00 0.38 C ATOM 704 CD GLN A 93 -3.957 -0.761 -10.494 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.665 -0.328 -11.402 1.00 0.71 O ATOM 706 NE2 GLN A 93 -3.915 -0.217 -9.301 1.00 0.57 N ATOM 0 H GLN A 93 -2.694 -2.918 -8.181 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.361 -2.656 -9.170 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.989 -4.064 -10.434 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.426 -3.483 -11.252 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.189 -1.855 -10.037 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.675 -1.940 -11.719 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.311 -0.613 -8.581 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.486 0.602 -9.094 1.00 0.57 H new ATOM 715 N ARG A 94 -4.274 -5.544 -8.139 1.00 0.33 N ATOM 716 CA ARG A 94 -4.643 -6.920 -7.837 1.00 0.38 C ATOM 717 C ARG A 94 -5.424 -6.989 -6.532 1.00 0.32 C ATOM 718 O ARG A 94 -5.795 -8.069 -6.065 1.00 0.46 O ATOM 719 CB ARG A 94 -3.403 -7.807 -7.753 1.00 0.47 C ATOM 720 CG ARG A 94 -2.566 -7.794 -9.017 1.00 0.70 C ATOM 721 CD ARG A 94 -3.405 -8.099 -10.243 1.00 0.95 C ATOM 722 NE ARG A 94 -2.588 -8.239 -11.449 1.00 1.67 N ATOM 723 CZ ARG A 94 -3.004 -7.924 -12.676 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.213 -7.409 -12.864 1.00 2.73 N ATOM 725 NH2 ARG A 94 -2.205 -8.123 -13.720 1.00 3.24 N ATOM 0 H ARG A 94 -3.397 -5.241 -7.714 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.277 -7.285 -8.645 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.787 -7.480 -6.915 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.711 -8.831 -7.541 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.094 -6.818 -9.132 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.765 -8.528 -8.931 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.967 -9.018 -10.078 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -4.134 -7.302 -10.390 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.640 -8.601 -11.344 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.830 -7.252 -12.067 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.525 -7.170 -13.805 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.274 -8.517 -13.582 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -2.523 -7.882 -14.659 1.00 3.24 H new ATOM 739 N ALA A 95 -5.644 -5.832 -5.931 1.00 0.28 N ATOM 740 CA ALA A 95 -6.444 -5.730 -4.732 1.00 0.25 C ATOM 741 C ALA A 95 -7.887 -5.425 -5.112 1.00 0.26 C ATOM 742 O ALA A 95 -8.145 -4.601 -5.988 1.00 0.36 O ATOM 743 CB ALA A 95 -5.866 -4.656 -3.823 1.00 0.25 C ATOM 0 H ALA A 95 -5.272 -4.942 -6.263 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.428 -6.674 -4.188 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.471 -4.580 -2.919 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.843 -4.919 -3.554 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.870 -3.698 -4.343 1.00 0.25 H new ATOM 749 N HIS A 96 -8.818 -6.124 -4.472 1.00 0.29 N ATOM 750 CA HIS A 96 -10.239 -5.983 -4.774 1.00 0.29 C ATOM 751 C HIS A 96 -10.696 -4.542 -4.616 1.00 0.27 C ATOM 752 O HIS A 96 -10.419 -3.885 -3.611 1.00 0.29 O ATOM 753 CB HIS A 96 -11.075 -6.870 -3.862 1.00 0.33 C ATOM 754 CG HIS A 96 -12.423 -7.185 -4.410 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.500 -6.363 -4.193 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.809 -8.241 -5.156 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.516 -6.936 -4.816 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.144 -8.078 -5.412 1.00 0.50 N ATOM 0 H HIS A 96 -8.612 -6.799 -3.735 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.380 -6.289 -5.811 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.538 -7.801 -3.683 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.190 -6.378 -2.896 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.185 -9.058 -5.487 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.518 -6.535 -4.842 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.741 -8.705 -5.952 1.00 0.50 H new ATOM 766 N SER A 97 -11.440 -4.088 -5.604 1.00 0.32 N ATOM 767 CA SER A 97 -11.852 -2.696 -5.708 1.00 0.37 C ATOM 768 C SER A 97 -12.703 -2.229 -4.519 1.00 0.33 C ATOM 769 O SER A 97 -12.761 -1.033 -4.233 1.00 0.39 O ATOM 770 CB SER A 97 -12.623 -2.514 -7.012 1.00 0.48 C ATOM 771 OG SER A 97 -11.922 -3.116 -8.089 1.00 1.46 O ATOM 0 H SER A 97 -11.780 -4.676 -6.365 1.00 0.32 H new ATOM 0 HA SER A 97 -10.953 -2.079 -5.698 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.614 -2.959 -6.921 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.767 -1.452 -7.212 1.00 0.48 H new ATOM 0 HG SER A 97 -12.429 -2.993 -8.919 1.00 1.46 H new ATOM 777 N LEU A 98 -13.341 -3.160 -3.814 1.00 0.29 N ATOM 778 CA LEU A 98 -14.259 -2.799 -2.741 1.00 0.32 C ATOM 779 C LEU A 98 -13.530 -2.231 -1.530 1.00 0.35 C ATOM 780 O LEU A 98 -13.878 -1.162 -1.037 1.00 0.43 O ATOM 781 CB LEU A 98 -15.098 -4.003 -2.332 1.00 0.35 C ATOM 782 CG LEU A 98 -16.236 -4.348 -3.290 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.038 -5.523 -2.753 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.130 -3.135 -3.505 1.00 0.67 C ATOM 0 H LEU A 98 -13.239 -4.163 -3.966 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.914 -2.017 -3.126 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.443 -4.870 -2.241 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.518 -3.816 -1.344 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.812 -4.635 -4.252 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.846 -5.759 -3.445 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.386 -6.390 -2.647 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.457 -5.263 -1.781 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.937 -3.395 -4.190 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.551 -2.820 -2.550 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.542 -2.321 -3.929 1.00 0.67 H new ATOM 796 N PHE A 99 -12.520 -2.943 -1.054 1.00 0.32 N ATOM 797 CA PHE A 99 -11.752 -2.488 0.100 1.00 0.34 C ATOM 798 C PHE A 99 -11.015 -1.192 -0.221 1.00 0.34 C ATOM 799 O PHE A 99 -10.877 -0.320 0.633 1.00 0.39 O ATOM 800 CB PHE A 99 -10.771 -3.571 0.549 1.00 0.36 C ATOM 801 CG PHE A 99 -9.727 -3.093 1.522 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.081 -2.655 2.789 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.387 -3.076 1.162 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.119 -2.212 3.676 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.423 -2.636 2.047 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.789 -2.204 3.306 1.00 0.58 C ATOM 0 H PHE A 99 -12.212 -3.834 -1.445 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.444 -2.291 0.919 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.332 -4.386 1.006 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.272 -3.981 -0.329 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.119 -2.660 3.086 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.095 -3.411 0.178 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.408 -1.872 4.660 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.383 -2.630 1.755 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.036 -1.860 4.000 1.00 0.58 H new ATOM 816 N LEU A 100 -10.557 -1.070 -1.457 1.00 0.31 N ATOM 817 CA LEU A 100 -9.881 0.140 -1.908 1.00 0.36 C ATOM 818 C LEU A 100 -10.829 1.340 -1.876 1.00 0.45 C ATOM 819 O LEU A 100 -10.399 2.490 -1.873 1.00 0.79 O ATOM 820 CB LEU A 100 -9.354 -0.072 -3.321 1.00 0.37 C ATOM 821 CG LEU A 100 -8.573 -1.369 -3.515 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.238 -1.565 -4.975 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.312 -1.371 -2.670 1.00 0.70 C ATOM 0 H LEU A 100 -10.641 -1.796 -2.169 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.050 0.348 -1.235 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.195 -0.061 -4.015 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.712 0.768 -3.586 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.198 -2.200 -3.188 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.681 -2.494 -5.099 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.159 -1.614 -5.556 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.632 -0.729 -5.325 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.772 -2.305 -2.825 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.678 -0.533 -2.960 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.579 -1.276 -1.617 1.00 0.70 H new ATOM 835 N ALA A 101 -12.123 1.058 -1.854 1.00 0.28 N ATOM 836 CA ALA A 101 -13.138 2.100 -1.797 1.00 0.33 C ATOM 837 C ALA A 101 -13.818 2.134 -0.428 1.00 0.36 C ATOM 838 O ALA A 101 -15.032 1.975 -0.322 1.00 0.57 O ATOM 839 CB ALA A 101 -14.167 1.880 -2.895 1.00 0.36 C ATOM 0 H ALA A 101 -12.497 0.109 -1.875 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.651 3.063 -1.951 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.924 2.663 -2.847 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.674 1.911 -3.867 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.642 0.908 -2.759 1.00 0.36 H new ATOM 845 N SER A 102 -13.036 2.364 0.617 1.00 0.34 N ATOM 846 CA SER A 102 -13.563 2.361 1.974 1.00 0.36 C ATOM 847 C SER A 102 -12.821 3.368 2.844 1.00 0.36 C ATOM 848 O SER A 102 -11.762 3.877 2.462 1.00 0.46 O ATOM 849 CB SER A 102 -13.435 0.965 2.585 1.00 0.40 C ATOM 850 OG SER A 102 -12.073 0.614 2.765 1.00 1.39 O ATOM 0 H SER A 102 -12.036 2.555 0.552 1.00 0.34 H new ATOM 0 HA SER A 102 -14.615 2.643 1.931 1.00 0.36 H new ATOM 0 HB2 SER A 102 -13.952 0.935 3.544 1.00 0.40 H new ATOM 0 HB3 SER A 102 -13.920 0.235 1.938 1.00 0.40 H new ATOM 0 HG SER A 102 -11.625 0.583 1.894 1.00 1.39 H new ATOM 856 N ALA A 103 -13.385 3.653 4.011 1.00 0.35 N ATOM 857 CA ALA A 103 -12.724 4.488 5.004 1.00 0.36 C ATOM 858 C ALA A 103 -11.628 3.695 5.679 1.00 0.29 C ATOM 859 O ALA A 103 -10.633 4.248 6.152 1.00 0.30 O ATOM 860 CB ALA A 103 -13.718 4.967 6.043 1.00 0.44 C ATOM 0 H ALA A 103 -14.305 3.315 4.294 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.296 5.357 4.504 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.206 5.589 6.777 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.501 5.549 5.557 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.163 4.107 6.544 1.00 0.44 H new ATOM 866 N GLU A 104 -11.830 2.388 5.702 1.00 0.29 N ATOM 867 CA GLU A 104 -10.888 1.466 6.296 1.00 0.30 C ATOM 868 C GLU A 104 -9.524 1.610 5.628 1.00 0.26 C ATOM 869 O GLU A 104 -8.514 1.845 6.291 1.00 0.30 O ATOM 870 CB GLU A 104 -11.420 0.038 6.147 1.00 0.39 C ATOM 871 CG GLU A 104 -10.550 -1.026 6.795 1.00 0.49 C ATOM 872 CD GLU A 104 -11.172 -2.407 6.703 1.00 1.02 C ATOM 873 OE1 GLU A 104 -12.381 -2.546 6.983 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.453 -3.365 6.335 1.00 1.81 O ATOM 0 H GLU A 104 -12.656 1.939 5.307 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.770 1.691 7.356 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.418 -0.012 6.581 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.522 -0.190 5.086 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.572 -1.037 6.313 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -10.387 -0.772 7.842 1.00 0.49 H new ATOM 881 N PHE A 105 -9.514 1.505 4.307 1.00 0.22 N ATOM 882 CA PHE A 105 -8.287 1.653 3.535 1.00 0.20 C ATOM 883 C PHE A 105 -7.807 3.102 3.562 1.00 0.19 C ATOM 884 O PHE A 105 -6.607 3.371 3.461 1.00 0.16 O ATOM 885 CB PHE A 105 -8.523 1.186 2.099 1.00 0.21 C ATOM 886 CG PHE A 105 -7.269 1.117 1.274 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.154 0.455 1.756 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.206 1.708 0.023 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.997 0.383 1.012 1.00 0.17 C ATOM 890 CE2 PHE A 105 -6.048 1.639 -0.729 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.943 0.978 -0.232 1.00 0.16 C ATOM 0 H PHE A 105 -10.344 1.317 3.745 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.509 1.035 3.982 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.990 0.201 2.118 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.228 1.863 1.617 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.191 -0.012 2.729 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -8.069 2.227 -0.368 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.135 -0.138 1.401 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -6.008 2.102 -1.704 1.00 0.17 H new ATOM 0 HZ PHE A 105 -4.036 0.926 -0.817 1.00 0.16 H new ATOM 901 N CYS A 106 -8.746 4.031 3.721 1.00 0.27 N ATOM 902 CA CYS A 106 -8.409 5.447 3.810 1.00 0.27 C ATOM 903 C CYS A 106 -7.548 5.707 5.045 1.00 0.27 C ATOM 904 O CYS A 106 -6.600 6.493 4.995 1.00 0.28 O ATOM 905 CB CYS A 106 -9.681 6.301 3.846 1.00 0.29 C ATOM 906 SG CYS A 106 -9.386 8.087 3.819 1.00 0.59 S ATOM 0 H CYS A 106 -9.743 3.829 3.791 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.838 5.727 2.925 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.306 6.036 2.993 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.245 6.052 4.745 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.516 8.711 3.662 1.00 0.59 H new ATOM 912 N ASN A 107 -7.877 5.030 6.147 1.00 0.28 N ATOM 913 CA ASN A 107 -7.054 5.075 7.358 1.00 0.30 C ATOM 914 C ASN A 107 -5.644 4.642 7.042 1.00 0.24 C ATOM 915 O ASN A 107 -4.681 5.351 7.319 1.00 0.23 O ATOM 916 CB ASN A 107 -7.593 4.138 8.435 1.00 0.37 C ATOM 917 CG ASN A 107 -8.725 4.717 9.255 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.798 4.499 10.464 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.633 5.429 8.613 1.00 0.64 N ATOM 0 H ASN A 107 -8.708 4.444 6.226 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.076 6.102 7.722 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.937 3.219 7.961 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.777 3.866 9.105 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.428 5.819 9.120 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.540 5.589 7.610 1.00 0.64 H new ATOM 926 N ILE A 108 -5.549 3.464 6.451 1.00 0.21 N ATOM 927 CA ILE A 108 -4.276 2.864 6.096 1.00 0.17 C ATOM 928 C ILE A 108 -3.419 3.831 5.289 1.00 0.12 C ATOM 929 O ILE A 108 -2.284 4.126 5.658 1.00 0.12 O ATOM 930 CB ILE A 108 -4.524 1.574 5.287 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.631 0.363 6.212 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.470 1.349 4.220 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.948 0.292 6.937 1.00 0.39 C ATOM 0 H ILE A 108 -6.358 2.894 6.203 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.738 2.624 7.013 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.476 1.701 4.771 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.495 -0.547 5.628 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.822 0.397 6.942 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.690 0.429 3.679 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.472 2.188 3.524 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.489 1.269 4.689 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.963 -0.589 7.578 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.076 1.186 7.547 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.759 0.227 6.212 1.00 0.39 H new ATOM 945 N LEU A 109 -3.992 4.343 4.214 1.00 0.12 N ATOM 946 CA LEU A 109 -3.295 5.255 3.323 1.00 0.12 C ATOM 947 C LEU A 109 -2.908 6.546 4.018 1.00 0.13 C ATOM 948 O LEU A 109 -1.751 6.961 3.969 1.00 0.13 O ATOM 949 CB LEU A 109 -4.167 5.547 2.118 1.00 0.15 C ATOM 950 CG LEU A 109 -4.082 4.490 1.036 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.164 4.691 0.008 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.721 4.546 0.385 1.00 0.17 C ATOM 0 H LEU A 109 -4.951 4.139 3.934 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.371 4.774 3.003 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.203 5.639 2.444 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.879 6.510 1.697 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.225 3.508 1.488 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -5.084 3.921 -0.759 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -6.140 4.624 0.489 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -5.052 5.673 -0.451 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.659 3.786 -0.394 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.569 5.531 -0.056 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.951 4.362 1.134 1.00 0.17 H new ATOM 964 N SER A 110 -3.882 7.165 4.667 1.00 0.16 N ATOM 965 CA SER A 110 -3.664 8.415 5.387 1.00 0.20 C ATOM 966 C SER A 110 -2.517 8.256 6.387 1.00 0.19 C ATOM 967 O SER A 110 -1.690 9.155 6.552 1.00 0.22 O ATOM 968 CB SER A 110 -4.950 8.826 6.115 1.00 0.28 C ATOM 969 OG SER A 110 -4.899 10.173 6.556 1.00 1.18 O ATOM 0 H SER A 110 -4.841 6.820 4.711 1.00 0.16 H new ATOM 0 HA SER A 110 -3.396 9.194 4.673 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.803 8.694 5.449 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.109 8.169 6.970 1.00 0.28 H new ATOM 0 HG SER A 110 -5.736 10.399 7.014 1.00 1.18 H new ATOM 975 N ARG A 111 -2.462 7.091 7.027 1.00 0.18 N ATOM 976 CA ARG A 111 -1.456 6.808 8.030 1.00 0.19 C ATOM 977 C ARG A 111 -0.084 6.507 7.415 1.00 0.16 C ATOM 978 O ARG A 111 0.877 7.231 7.663 1.00 0.17 O ATOM 979 CB ARG A 111 -1.904 5.624 8.887 1.00 0.25 C ATOM 980 CG ARG A 111 -3.083 5.912 9.801 1.00 0.33 C ATOM 981 CD ARG A 111 -3.435 4.681 10.620 1.00 1.22 C ATOM 982 NE ARG A 111 -4.613 4.882 11.457 1.00 1.97 N ATOM 983 CZ ARG A 111 -5.321 3.888 11.988 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.979 2.628 11.747 1.00 3.10 N ATOM 985 NH2 ARG A 111 -6.369 4.154 12.757 1.00 3.73 N ATOM 0 H ARG A 111 -3.113 6.324 6.861 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.349 7.702 8.644 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.166 4.795 8.229 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.062 5.294 9.496 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.841 6.741 10.466 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.944 6.220 9.208 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -3.610 3.840 9.949 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.587 4.414 11.251 1.00 1.22 H new ATOM 0 HE ARG A 111 -4.911 5.839 11.646 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.174 2.422 11.155 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -5.521 1.866 12.154 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -6.633 5.122 12.942 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -6.910 3.391 13.163 1.00 3.73 H new ATOM 999 N VAL A 112 0.001 5.465 6.584 1.00 0.15 N ATOM 1000 CA VAL A 112 1.303 4.966 6.133 1.00 0.14 C ATOM 1001 C VAL A 112 1.975 5.923 5.165 1.00 0.14 C ATOM 1002 O VAL A 112 3.180 6.155 5.264 1.00 0.15 O ATOM 1003 CB VAL A 112 1.236 3.561 5.488 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.753 2.522 6.485 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.361 3.569 4.253 1.00 0.15 C ATOM 0 H VAL A 112 -0.803 4.957 6.214 1.00 0.15 H new ATOM 0 HA VAL A 112 1.899 4.889 7.043 1.00 0.14 H new ATOM 0 HB VAL A 112 2.247 3.289 5.183 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.716 1.545 6.003 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.439 2.484 7.331 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.243 2.791 6.837 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.332 2.569 3.821 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.649 3.876 4.525 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.769 4.268 3.523 1.00 0.15 H new ATOM 1015 N LEU A 113 1.208 6.481 4.236 1.00 0.15 N ATOM 1016 CA LEU A 113 1.747 7.404 3.273 1.00 0.16 C ATOM 1017 C LEU A 113 2.410 8.570 3.982 1.00 0.17 C ATOM 1018 O LEU A 113 3.573 8.888 3.737 1.00 0.20 O ATOM 1019 CB LEU A 113 0.623 7.900 2.368 1.00 0.16 C ATOM 1020 CG LEU A 113 0.625 9.401 2.110 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.769 9.775 1.180 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.702 9.841 1.531 1.00 0.27 C ATOM 0 H LEU A 113 0.209 6.303 4.138 1.00 0.15 H new ATOM 0 HA LEU A 113 2.499 6.900 2.667 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.690 7.381 1.412 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.332 7.624 2.814 1.00 0.16 H new ATOM 0 HG LEU A 113 0.770 9.917 3.059 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.758 10.851 1.004 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.717 9.491 1.637 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.653 9.251 0.231 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.683 10.916 1.353 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.879 9.320 0.590 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.502 9.604 2.233 1.00 0.27 H new ATOM 1034 N SER A 114 1.663 9.178 4.880 1.00 0.17 N ATOM 1035 CA SER A 114 2.093 10.385 5.541 1.00 0.21 C ATOM 1036 C SER A 114 3.241 10.101 6.503 1.00 0.18 C ATOM 1037 O SER A 114 4.132 10.932 6.690 1.00 0.20 O ATOM 1038 CB SER A 114 0.902 10.998 6.254 1.00 0.26 C ATOM 1039 OG SER A 114 -0.122 11.322 5.329 1.00 1.06 O ATOM 0 H SER A 114 0.743 8.847 5.169 1.00 0.17 H new ATOM 0 HA SER A 114 2.471 11.095 4.805 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.519 10.300 6.999 1.00 0.26 H new ATOM 0 HB3 SER A 114 1.214 11.895 6.788 1.00 0.26 H new ATOM 0 HG SER A 114 -0.887 10.726 5.466 1.00 1.06 H new ATOM 1045 N ARG A 115 3.220 8.922 7.107 1.00 0.15 N ATOM 1046 CA ARG A 115 4.323 8.469 7.919 1.00 0.16 C ATOM 1047 C ARG A 115 5.575 8.240 7.090 1.00 0.15 C ATOM 1048 O ARG A 115 6.677 8.466 7.568 1.00 0.18 O ATOM 1049 CB ARG A 115 3.927 7.206 8.669 1.00 0.20 C ATOM 1050 CG ARG A 115 3.020 7.516 9.834 1.00 0.31 C ATOM 1051 CD ARG A 115 3.737 8.436 10.791 1.00 0.53 C ATOM 1052 NE ARG A 115 2.867 8.940 11.852 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.291 9.285 13.068 1.00 1.21 C ATOM 1054 NH1 ARG A 115 4.545 9.041 13.438 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.451 9.853 13.927 1.00 1.62 N ATOM 0 H ARG A 115 2.443 8.264 7.045 1.00 0.15 H new ATOM 0 HA ARG A 115 4.558 9.251 8.641 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.424 6.520 7.988 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.823 6.699 9.029 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.101 7.984 9.480 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.733 6.595 10.342 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.577 7.904 11.238 1.00 0.53 H new ATOM 0 HD3 ARG A 115 4.151 9.278 10.237 1.00 0.53 H new ATOM 0 HE ARG A 115 1.872 9.034 11.649 1.00 0.89 H new ATOM 0 HH11 ARG A 115 5.189 8.587 12.790 1.00 1.63 H new ATOM 0 HH12 ARG A 115 4.863 9.308 14.370 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.483 10.025 13.656 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.774 10.117 14.858 1.00 1.62 H new ATOM 1069 N ALA A 116 5.403 7.786 5.858 1.00 0.15 N ATOM 1070 CA ALA A 116 6.531 7.585 4.961 1.00 0.18 C ATOM 1071 C ALA A 116 7.088 8.918 4.467 1.00 0.21 C ATOM 1072 O ALA A 116 8.279 9.039 4.186 1.00 0.25 O ATOM 1073 CB ALA A 116 6.125 6.705 3.799 1.00 0.20 C ATOM 0 H ALA A 116 4.495 7.550 5.457 1.00 0.15 H new ATOM 0 HA ALA A 116 7.324 7.083 5.516 1.00 0.18 H new ATOM 0 HB1 ALA A 116 6.978 6.562 3.135 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.792 5.738 4.174 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.313 7.180 3.249 1.00 0.20 H new ATOM 1079 N ARG A 117 6.210 9.908 4.339 1.00 0.23 N ATOM 1080 CA ARG A 117 6.630 11.277 4.050 1.00 0.28 C ATOM 1081 C ARG A 117 7.528 11.776 5.177 1.00 0.29 C ATOM 1082 O ARG A 117 8.643 12.247 4.951 1.00 0.39 O ATOM 1083 CB ARG A 117 5.412 12.203 3.943 1.00 0.38 C ATOM 1084 CG ARG A 117 4.327 11.709 3.008 1.00 1.06 C ATOM 1085 CD ARG A 117 4.637 12.060 1.573 1.00 1.15 C ATOM 1086 NE ARG A 117 4.374 13.464 1.282 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.953 13.911 0.102 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.746 13.063 -0.901 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.727 15.203 -0.066 1.00 2.99 N ATOM 0 H ARG A 117 5.201 9.788 4.431 1.00 0.23 H new ATOM 0 HA ARG A 117 7.169 11.284 3.102 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.985 12.336 4.937 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.746 13.184 3.605 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.224 10.628 3.106 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.371 12.148 3.293 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.683 11.837 1.364 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.039 11.435 0.910 1.00 1.15 H new ATOM 0 HE ARG A 117 4.522 14.144 2.028 1.00 1.75 H new ATOM 0 HH11 ARG A 117 3.910 12.065 -0.767 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.423 13.410 -1.804 1.00 2.33 H new ATOM 0 HH21 ARG A 117 3.876 15.851 0.707 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.404 15.551 -0.969 1.00 2.99 H new ATOM 1103 N SER A 118 7.013 11.645 6.392 1.00 0.28 N ATOM 1104 CA SER A 118 7.720 12.043 7.601 1.00 0.33 C ATOM 1105 C SER A 118 8.998 11.240 7.766 1.00 0.32 C ATOM 1106 O SER A 118 10.092 11.784 7.928 1.00 0.41 O ATOM 1107 CB SER A 118 6.812 11.802 8.809 1.00 0.38 C ATOM 1108 OG SER A 118 7.373 12.316 10.006 1.00 0.62 O ATOM 0 H SER A 118 6.086 11.257 6.567 1.00 0.28 H new ATOM 0 HA SER A 118 7.981 13.099 7.527 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.843 12.269 8.633 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.635 10.732 8.922 1.00 0.38 H new ATOM 0 HG SER A 118 6.763 12.144 10.753 1.00 0.62 H new ATOM 1114 N ARG A 119 8.824 9.941 7.718 1.00 0.26 N ATOM 1115 CA ARG A 119 9.902 8.991 7.924 1.00 0.28 C ATOM 1116 C ARG A 119 10.158 8.136 6.687 1.00 0.26 C ATOM 1117 O ARG A 119 9.677 7.004 6.594 1.00 0.25 O ATOM 1118 CB ARG A 119 9.573 8.087 9.111 1.00 0.33 C ATOM 1119 CG ARG A 119 9.582 8.818 10.434 1.00 0.47 C ATOM 1120 CD ARG A 119 10.971 9.346 10.743 1.00 1.28 C ATOM 1121 NE ARG A 119 10.997 10.178 11.939 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.980 11.023 12.228 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.007 11.153 11.400 1.00 3.26 N ATOM 1124 NH2 ARG A 119 11.935 11.740 13.339 1.00 2.60 N ATOM 0 H ARG A 119 7.921 9.504 7.533 1.00 0.26 H new ATOM 0 HA ARG A 119 10.808 9.562 8.126 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.592 7.639 8.957 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.294 7.271 9.149 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.871 9.644 10.404 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.257 8.147 11.229 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.655 8.507 10.873 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.334 9.925 9.894 1.00 1.28 H new ATOM 0 HE ARG A 119 10.216 10.107 12.591 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.042 10.604 10.541 1.00 3.26 H new ATOM 0 HH12 ARG A 119 13.762 11.802 11.622 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.144 11.644 13.976 1.00 2.60 H new ATOM 0 HH22 ARG A 119 12.691 12.388 13.559 1.00 2.60 H new ATOM 1138 N PRO A 120 10.940 8.662 5.732 1.00 0.29 N ATOM 1139 CA PRO A 120 11.420 7.899 4.573 1.00 0.30 C ATOM 1140 C PRO A 120 12.251 6.705 5.024 1.00 0.27 C ATOM 1141 O PRO A 120 12.364 5.695 4.329 1.00 0.28 O ATOM 1142 CB PRO A 120 12.303 8.904 3.824 1.00 0.37 C ATOM 1143 CG PRO A 120 12.634 9.946 4.830 1.00 0.38 C ATOM 1144 CD PRO A 120 11.421 10.046 5.697 1.00 0.35 C ATOM 0 HA PRO A 120 10.609 7.500 3.964 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.204 8.427 3.438 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.778 9.332 2.970 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.513 9.668 5.412 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.857 10.900 4.352 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.664 10.416 6.693 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.677 10.723 5.277 1.00 0.35 H new ATOM 1152 N ALA A 121 12.822 6.846 6.210 1.00 0.25 N ATOM 1153 CA ALA A 121 13.611 5.802 6.835 1.00 0.28 C ATOM 1154 C ALA A 121 12.780 4.543 7.087 1.00 0.27 C ATOM 1155 O ALA A 121 13.308 3.430 7.118 1.00 0.35 O ATOM 1156 CB ALA A 121 14.188 6.330 8.134 1.00 0.33 C ATOM 0 H ALA A 121 12.749 7.696 6.769 1.00 0.25 H new ATOM 0 HA ALA A 121 14.419 5.522 6.160 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.783 5.551 8.611 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.820 7.194 7.927 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.377 6.625 8.799 1.00 0.33 H new ATOM 1162 N LYS A 122 11.479 4.724 7.271 1.00 0.22 N ATOM 1163 CA LYS A 122 10.578 3.610 7.498 1.00 0.27 C ATOM 1164 C LYS A 122 9.554 3.509 6.381 1.00 0.19 C ATOM 1165 O LYS A 122 8.573 2.772 6.494 1.00 0.18 O ATOM 1166 CB LYS A 122 9.889 3.769 8.846 1.00 0.39 C ATOM 1167 CG LYS A 122 10.807 3.459 10.012 1.00 0.49 C ATOM 1168 CD LYS A 122 10.584 2.047 10.540 1.00 0.66 C ATOM 1169 CE LYS A 122 9.470 1.983 11.585 1.00 1.28 C ATOM 1170 NZ LYS A 122 8.118 2.270 11.024 1.00 1.79 N ATOM 0 H LYS A 122 11.026 5.638 7.267 1.00 0.22 H new ATOM 0 HA LYS A 122 11.157 2.687 7.505 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.518 4.790 8.942 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.022 3.110 8.886 1.00 0.39 H new ATOM 0 HG2 LYS A 122 11.845 3.571 9.699 1.00 0.49 H new ATOM 0 HG3 LYS A 122 10.636 4.179 10.812 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.337 1.386 9.709 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.511 1.676 10.978 1.00 0.66 H new ATOM 0 HE2 LYS A 122 9.464 0.992 12.040 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.685 2.697 12.380 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 7.389 1.938 11.687 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 8.013 3.294 10.879 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 8.008 1.778 10.114 1.00 1.79 H new ATOM 1184 N LEU A 123 9.805 4.252 5.303 1.00 0.17 N ATOM 1185 CA LEU A 123 8.974 4.223 4.115 1.00 0.14 C ATOM 1186 C LEU A 123 8.710 2.793 3.663 1.00 0.12 C ATOM 1187 O LEU A 123 7.581 2.439 3.346 1.00 0.12 O ATOM 1188 CB LEU A 123 9.676 5.000 3.009 1.00 0.16 C ATOM 1189 CG LEU A 123 9.170 4.744 1.602 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.848 5.444 1.372 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.206 5.200 0.607 1.00 0.21 C ATOM 0 H LEU A 123 10.596 4.892 5.236 1.00 0.17 H new ATOM 0 HA LEU A 123 8.011 4.680 4.343 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.581 6.065 3.221 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.739 4.762 3.042 1.00 0.16 H new ATOM 0 HG LEU A 123 9.001 3.675 1.470 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.504 5.247 0.357 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.111 5.072 2.084 1.00 0.15 H new ATOM 0 HD13 LEU A 123 7.976 6.518 1.510 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.844 5.017 -0.405 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.392 6.266 0.738 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.132 4.648 0.767 1.00 0.21 H new ATOM 1203 N TYR A 124 9.756 1.969 3.669 1.00 0.13 N ATOM 1204 CA TYR A 124 9.641 0.589 3.218 1.00 0.13 C ATOM 1205 C TYR A 124 8.654 -0.181 4.060 1.00 0.13 C ATOM 1206 O TYR A 124 7.828 -0.894 3.519 1.00 0.14 O ATOM 1207 CB TYR A 124 10.989 -0.106 3.239 1.00 0.14 C ATOM 1208 CG TYR A 124 11.895 0.300 2.115 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.835 -0.360 0.904 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.813 1.330 2.261 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.660 -0.017 -0.130 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.649 1.685 1.221 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.570 1.007 0.025 1.00 0.24 C ATOM 1214 OH TYR A 124 14.406 1.351 -1.015 1.00 0.31 O ATOM 0 H TYR A 124 10.690 2.235 3.981 1.00 0.13 H new ATOM 0 HA TYR A 124 9.276 0.614 2.191 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.483 0.107 4.187 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.833 -1.184 3.196 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.123 -1.162 0.771 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.874 1.861 3.200 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.599 -0.548 -1.068 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.360 2.489 1.345 1.00 0.26 H new ATOM 0 HH TYR A 124 14.984 2.093 -0.739 1.00 0.31 H new ATOM 1224 N VAL A 125 8.736 -0.044 5.375 1.00 0.13 N ATOM 1225 CA VAL A 125 7.765 -0.692 6.248 1.00 0.14 C ATOM 1226 C VAL A 125 6.346 -0.325 5.837 1.00 0.12 C ATOM 1227 O VAL A 125 5.478 -1.186 5.716 1.00 0.14 O ATOM 1228 CB VAL A 125 7.971 -0.325 7.723 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.946 -1.048 8.588 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.390 -0.652 8.156 1.00 0.23 C ATOM 0 H VAL A 125 9.452 0.500 5.856 1.00 0.13 H new ATOM 0 HA VAL A 125 7.918 -1.766 6.140 1.00 0.14 H new ATOM 0 HB VAL A 125 7.824 0.748 7.849 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.100 -0.782 9.634 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.941 -0.755 8.283 1.00 0.19 H new ATOM 0 HG13 VAL A 125 7.063 -2.125 8.467 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.521 -0.386 9.205 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.573 -1.719 8.027 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.096 -0.086 7.548 1.00 0.23 H new ATOM 1240 N TYR A 126 6.134 0.954 5.578 1.00 0.11 N ATOM 1241 CA TYR A 126 4.827 1.450 5.173 1.00 0.11 C ATOM 1242 C TYR A 126 4.483 0.940 3.775 1.00 0.10 C ATOM 1243 O TYR A 126 3.316 0.779 3.427 1.00 0.11 O ATOM 1244 CB TYR A 126 4.822 2.978 5.241 1.00 0.12 C ATOM 1245 CG TYR A 126 5.288 3.483 6.589 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.957 2.789 7.745 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.077 4.623 6.711 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.391 3.208 8.980 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.522 5.048 7.956 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.174 4.334 9.084 1.00 0.20 C ATOM 1251 OH TYR A 126 6.625 4.737 10.319 1.00 0.25 O ATOM 0 H TYR A 126 6.855 1.673 5.641 1.00 0.11 H new ATOM 0 HA TYR A 126 4.060 1.078 5.852 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.468 3.379 4.460 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.816 3.347 5.043 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.346 1.902 7.672 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.346 5.183 5.828 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.118 2.655 9.866 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.137 5.932 8.041 1.00 0.20 H new ATOM 0 HH TYR A 126 7.166 5.548 10.221 1.00 0.25 H new ATOM 1261 N ILE A 127 5.522 0.674 2.994 1.00 0.11 N ATOM 1262 CA ILE A 127 5.386 0.020 1.702 1.00 0.11 C ATOM 1263 C ILE A 127 4.889 -1.417 1.878 1.00 0.11 C ATOM 1264 O ILE A 127 3.951 -1.843 1.204 1.00 0.11 O ATOM 1265 CB ILE A 127 6.738 0.026 0.950 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.074 1.447 0.490 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.710 -0.920 -0.233 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.541 1.671 0.188 1.00 0.11 C ATOM 0 H ILE A 127 6.484 0.907 3.240 1.00 0.11 H new ATOM 0 HA ILE A 127 4.654 0.573 1.113 1.00 0.11 H new ATOM 0 HB ILE A 127 7.512 -0.319 1.635 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.492 1.675 -0.403 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.762 2.150 1.262 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.673 -0.895 -0.742 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.511 -1.933 0.116 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.926 -0.614 -0.925 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.694 2.702 -0.131 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.131 1.477 1.084 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.856 0.995 -0.607 1.00 0.11 H new ATOM 1280 N ASN A 128 5.515 -2.159 2.799 1.00 0.12 N ATOM 1281 CA ASN A 128 5.101 -3.527 3.103 1.00 0.14 C ATOM 1282 C ASN A 128 3.676 -3.509 3.560 1.00 0.14 C ATOM 1283 O ASN A 128 2.829 -4.252 3.065 1.00 0.16 O ATOM 1284 CB ASN A 128 5.895 -4.128 4.261 1.00 0.20 C ATOM 1285 CG ASN A 128 7.309 -3.682 4.340 1.00 0.25 C ATOM 1286 OD1 ASN A 128 7.830 -3.486 5.425 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.960 -3.558 3.223 1.00 0.26 N ATOM 0 H ASN A 128 6.311 -1.831 3.346 1.00 0.12 H new ATOM 0 HA ASN A 128 5.259 -4.114 2.198 1.00 0.14 H new ATOM 0 HB2 ASN A 128 5.396 -3.875 5.196 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.875 -5.214 4.173 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.943 -3.288 3.233 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.488 -3.731 2.336 1.00 0.26 H new ATOM 1294 N GLU A 129 3.452 -2.654 4.542 1.00 0.13 N ATOM 1295 CA GLU A 129 2.145 -2.501 5.158 1.00 0.16 C ATOM 1296 C GLU A 129 1.082 -2.276 4.112 1.00 0.15 C ATOM 1297 O GLU A 129 0.209 -3.107 3.935 1.00 0.17 O ATOM 1298 CB GLU A 129 2.151 -1.333 6.143 1.00 0.23 C ATOM 1299 CG GLU A 129 2.864 -1.661 7.436 1.00 0.29 C ATOM 1300 CD GLU A 129 2.816 -0.537 8.455 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.707 -0.042 8.748 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.882 -0.167 8.996 1.00 1.03 O ATOM 0 H GLU A 129 4.171 -2.046 4.935 1.00 0.13 H new ATOM 0 HA GLU A 129 1.919 -3.421 5.696 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.631 -0.473 5.677 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.123 -1.044 6.363 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.417 -2.555 7.871 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.905 -1.899 7.218 1.00 0.29 H new ATOM 1309 N LEU A 130 1.209 -1.189 3.383 1.00 0.14 N ATOM 1310 CA LEU A 130 0.249 -0.826 2.354 1.00 0.15 C ATOM 1311 C LEU A 130 0.044 -1.962 1.345 1.00 0.15 C ATOM 1312 O LEU A 130 -1.084 -2.260 0.960 1.00 0.18 O ATOM 1313 CB LEU A 130 0.750 0.435 1.660 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.229 1.114 0.717 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.582 1.301 1.389 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.346 2.452 0.282 1.00 0.12 C ATOM 0 H LEU A 130 1.980 -0.529 3.484 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.722 -0.641 2.814 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.044 1.154 2.425 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.649 0.183 1.098 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.380 0.485 -0.160 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.268 1.789 0.696 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.984 0.329 1.674 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.464 1.919 2.279 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.352 2.945 -0.395 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.507 3.081 1.158 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.295 2.291 -0.229 1.00 0.12 H new ATOM 1328 N CYS A 131 1.131 -2.605 0.944 1.00 0.14 N ATOM 1329 CA CYS A 131 1.070 -3.700 -0.020 1.00 0.17 C ATOM 1330 C CYS A 131 0.358 -4.923 0.574 1.00 0.18 C ATOM 1331 O CYS A 131 -0.460 -5.561 -0.089 1.00 0.21 O ATOM 1332 CB CYS A 131 2.490 -4.075 -0.463 1.00 0.20 C ATOM 1333 SG CYS A 131 2.584 -5.419 -1.668 1.00 0.53 S ATOM 0 H CYS A 131 2.072 -2.387 1.272 1.00 0.14 H new ATOM 0 HA CYS A 131 0.496 -3.368 -0.885 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.967 -3.192 -0.888 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.067 -4.356 0.418 1.00 0.20 H new ATOM 0 HG CYS A 131 3.825 -5.618 -2.001 1.00 0.53 H new ATOM 1339 N THR A 132 0.659 -5.240 1.827 1.00 0.19 N ATOM 1340 CA THR A 132 0.050 -6.389 2.490 1.00 0.23 C ATOM 1341 C THR A 132 -1.390 -6.070 2.847 1.00 0.21 C ATOM 1342 O THR A 132 -2.276 -6.915 2.743 1.00 0.22 O ATOM 1343 CB THR A 132 0.816 -6.772 3.770 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.213 -6.898 3.483 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.292 -8.083 4.340 1.00 0.36 C ATOM 0 H THR A 132 1.319 -4.720 2.405 1.00 0.19 H new ATOM 0 HA THR A 132 0.089 -7.232 1.800 1.00 0.23 H new ATOM 0 HB THR A 132 0.665 -5.985 4.509 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.591 -6.012 3.304 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.847 -8.335 5.244 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.766 -7.978 4.581 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.419 -8.876 3.604 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.596 -4.825 3.238 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.902 -4.285 3.562 1.00 0.17 C ATOM 1355 C VAL A 133 -3.877 -4.540 2.424 1.00 0.18 C ATOM 1356 O VAL A 133 -5.036 -4.897 2.650 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.777 -2.766 3.832 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.074 -2.038 3.548 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.325 -2.508 5.265 1.00 0.18 C ATOM 0 H VAL A 133 -0.841 -4.147 3.341 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.283 -4.779 4.456 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.021 -2.375 3.151 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.946 -0.974 3.749 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.349 -2.179 2.503 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.862 -2.436 4.187 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.244 -1.434 5.433 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.053 -2.930 5.958 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.354 -2.976 5.430 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.383 -4.381 1.207 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.187 -4.594 0.024 1.00 0.20 C ATOM 1371 C LEU A 134 -4.726 -6.018 -0.020 1.00 0.23 C ATOM 1372 O LEU A 134 -5.928 -6.226 -0.080 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.356 -4.297 -1.224 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.922 -2.839 -1.356 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -2.005 -2.641 -2.543 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.131 -1.949 -1.488 1.00 0.20 C ATOM 0 H LEU A 134 -2.420 -4.103 1.016 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.040 -3.916 0.055 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.468 -4.929 -1.214 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.934 -4.573 -2.106 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.371 -2.571 -0.455 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.715 -1.592 -2.608 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.114 -3.257 -2.421 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.524 -2.931 -3.456 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.810 -0.911 -1.582 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.698 -2.235 -2.374 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.760 -2.056 -0.604 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.853 -7.001 0.078 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.293 -8.382 -0.054 1.00 0.29 C ATOM 1390 C LYS A 135 -4.915 -8.910 1.226 1.00 0.30 C ATOM 1391 O LYS A 135 -5.741 -9.819 1.190 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.166 -9.292 -0.518 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.296 -9.680 -1.981 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.679 -10.256 -2.284 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.707 -11.002 -3.612 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.442 -10.111 -4.777 1.00 1.59 N ATOM 0 H LYS A 135 -2.854 -6.878 0.245 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.067 -8.385 -0.822 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.211 -8.790 -0.362 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.156 -10.194 0.094 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -3.119 -8.806 -2.608 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.531 -10.414 -2.234 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.974 -10.932 -1.482 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.411 -9.449 -2.306 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.963 -11.799 -3.592 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -5.680 -11.477 -3.737 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.372 -10.683 -5.643 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.220 -9.428 -4.876 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -3.549 -9.599 -4.627 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.497 -8.359 2.356 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.052 -8.747 3.648 1.00 0.30 C ATOM 1412 C ALA A 136 -6.563 -8.563 3.674 1.00 0.31 C ATOM 1413 O ALA A 136 -7.280 -9.346 4.295 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.426 -7.936 4.772 1.00 0.33 C ATOM 0 H ALA A 136 -3.774 -7.641 2.406 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.822 -9.802 3.797 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.856 -8.243 5.725 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.349 -8.106 4.788 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.623 -6.876 4.610 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.050 -7.523 3.011 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.461 -7.217 3.057 1.00 0.35 C ATOM 1422 C HIS A 137 -9.126 -7.350 1.695 1.00 0.35 C ATOM 1423 O HIS A 137 -10.115 -8.065 1.544 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.668 -5.831 3.647 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.948 -5.644 4.951 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.341 -6.246 6.128 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.813 -4.967 5.242 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.477 -5.951 7.080 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.542 -5.174 6.572 1.00 0.49 N ATOM 0 H HIS A 137 -6.491 -6.887 2.443 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.944 -7.950 3.703 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.322 -5.082 2.935 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.734 -5.660 3.797 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.228 -4.373 4.555 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.528 -6.290 8.104 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.747 -4.789 7.083 1.00 0.49 H new ATOM 1438 N SER A 138 -8.577 -6.696 0.698 1.00 0.31 N ATOM 1439 CA SER A 138 -9.150 -6.758 -0.627 1.00 0.33 C ATOM 1440 C SER A 138 -8.574 -7.932 -1.394 1.00 0.55 C ATOM 1441 O SER A 138 -7.399 -8.268 -1.269 1.00 1.05 O ATOM 1442 CB SER A 138 -8.977 -5.443 -1.396 1.00 0.38 C ATOM 1443 OG SER A 138 -7.664 -4.938 -1.315 1.00 1.00 O ATOM 0 H SER A 138 -7.740 -6.119 0.777 1.00 0.31 H new ATOM 0 HA SER A 138 -10.224 -6.910 -0.518 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.238 -5.601 -2.442 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.673 -4.702 -1.003 1.00 0.38 H new ATOM 0 HG SER A 138 -7.043 -5.671 -1.122 1.00 1.00 H new ATOM 1624 N SER B 27 4.754 -10.797 3.583 1.00 0.55 N ATOM 1625 CA SER B 27 4.119 -9.504 3.701 1.00 0.54 C ATOM 1626 C SER B 27 5.147 -8.395 3.576 1.00 0.44 C ATOM 1627 O SER B 27 5.277 -7.754 2.536 1.00 0.53 O ATOM 1628 CB SER B 27 3.379 -9.419 5.034 1.00 0.75 C ATOM 1629 OG SER B 27 4.136 -10.010 6.074 1.00 1.37 O ATOM 0 HA SER B 27 3.398 -9.381 2.893 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.176 -8.376 5.275 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.415 -9.921 4.951 1.00 0.75 H new ATOM 0 HG SER B 27 4.828 -10.587 5.688 1.00 1.37 H new ATOM 1635 N ASP B 28 5.886 -8.192 4.642 1.00 0.43 N ATOM 1636 CA ASP B 28 6.956 -7.208 4.658 1.00 0.37 C ATOM 1637 C ASP B 28 8.215 -7.767 4.023 1.00 0.33 C ATOM 1638 O ASP B 28 8.906 -7.073 3.276 1.00 0.31 O ATOM 1639 CB ASP B 28 7.256 -6.725 6.081 1.00 0.44 C ATOM 1640 CG ASP B 28 7.117 -7.807 7.132 1.00 0.95 C ATOM 1641 OD1 ASP B 28 8.014 -8.667 7.240 1.00 1.83 O ATOM 1642 OD2 ASP B 28 6.110 -7.794 7.869 1.00 1.07 O ATOM 0 H ASP B 28 5.768 -8.698 5.520 1.00 0.43 H new ATOM 0 HA ASP B 28 6.617 -6.353 4.074 1.00 0.37 H new ATOM 0 HB2 ASP B 28 8.270 -6.327 6.114 1.00 0.44 H new ATOM 0 HB3 ASP B 28 6.583 -5.904 6.326 1.00 0.44 H new ATOM 1647 N SER B 29 8.484 -9.034 4.298 1.00 0.36 N ATOM 1648 CA SER B 29 9.678 -9.701 3.798 1.00 0.34 C ATOM 1649 C SER B 29 9.743 -9.673 2.283 1.00 0.33 C ATOM 1650 O SER B 29 10.824 -9.608 1.703 1.00 0.34 O ATOM 1651 CB SER B 29 9.714 -11.135 4.301 1.00 0.39 C ATOM 1652 OG SER B 29 8.474 -11.788 4.071 1.00 1.07 O ATOM 0 H SER B 29 7.884 -9.627 4.871 1.00 0.36 H new ATOM 0 HA SER B 29 10.548 -9.162 4.173 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.514 -11.680 3.800 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.941 -11.144 5.367 1.00 0.39 H new ATOM 0 HG SER B 29 8.523 -12.709 4.402 1.00 1.07 H new ATOM 1658 N GLU B 30 8.571 -9.692 1.667 1.00 0.35 N ATOM 1659 CA GLU B 30 8.435 -9.656 0.217 1.00 0.37 C ATOM 1660 C GLU B 30 9.254 -8.513 -0.372 1.00 0.34 C ATOM 1661 O GLU B 30 9.902 -8.654 -1.410 1.00 0.39 O ATOM 1662 CB GLU B 30 6.972 -9.473 -0.147 1.00 0.45 C ATOM 1663 CG GLU B 30 6.692 -9.721 -1.598 1.00 0.68 C ATOM 1664 CD GLU B 30 6.947 -11.155 -2.010 1.00 1.37 C ATOM 1665 OE1 GLU B 30 6.094 -12.019 -1.719 1.00 1.57 O ATOM 1666 OE2 GLU B 30 7.995 -11.429 -2.627 1.00 2.33 O ATOM 0 H GLU B 30 7.680 -9.733 2.162 1.00 0.35 H new ATOM 0 HA GLU B 30 8.805 -10.596 -0.193 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.367 -10.151 0.455 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.664 -8.459 0.108 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.654 -9.466 -1.811 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.313 -9.059 -2.201 1.00 0.68 H new ATOM 1673 N LEU B 31 9.228 -7.389 0.324 1.00 0.28 N ATOM 1674 CA LEU B 31 9.942 -6.199 -0.077 1.00 0.24 C ATOM 1675 C LEU B 31 11.416 -6.361 0.217 1.00 0.25 C ATOM 1676 O LEU B 31 12.279 -6.158 -0.637 1.00 0.26 O ATOM 1677 CB LEU B 31 9.452 -5.009 0.713 1.00 0.20 C ATOM 1678 CG LEU B 31 8.024 -4.528 0.450 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.870 -3.989 -0.958 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.023 -5.628 0.711 1.00 0.24 C ATOM 0 H LEU B 31 8.703 -7.281 1.192 1.00 0.28 H new ATOM 0 HA LEU B 31 9.775 -6.046 -1.143 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.536 -5.251 1.773 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.128 -4.176 0.521 1.00 0.20 H new ATOM 0 HG LEU B 31 7.823 -3.712 1.144 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.843 -3.656 -1.110 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.549 -3.149 -1.102 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.107 -4.774 -1.676 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.017 -5.258 0.516 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.232 -6.473 0.055 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.097 -5.948 1.750 1.00 0.24 H new ATOM 1692 N GLU B 32 11.659 -6.731 1.465 1.00 0.26 N ATOM 1693 CA GLU B 32 13.004 -6.865 2.032 1.00 0.29 C ATOM 1694 C GLU B 32 13.935 -7.666 1.140 1.00 0.33 C ATOM 1695 O GLU B 32 15.149 -7.471 1.157 1.00 0.38 O ATOM 1696 CB GLU B 32 12.949 -7.548 3.395 1.00 0.29 C ATOM 1697 CG GLU B 32 11.829 -7.066 4.302 1.00 0.26 C ATOM 1698 CD GLU B 32 12.006 -7.565 5.724 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.816 -6.980 6.471 1.00 0.47 O ATOM 1700 OE2 GLU B 32 11.308 -8.523 6.111 1.00 0.59 O ATOM 0 H GLU B 32 10.917 -6.952 2.129 1.00 0.26 H new ATOM 0 HA GLU B 32 13.394 -5.851 2.125 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.839 -8.622 3.244 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.901 -7.393 3.902 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.802 -5.976 4.299 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.871 -7.410 3.912 1.00 0.26 H new ATOM 1707 N GLN B 33 13.345 -8.561 0.374 1.00 0.35 N ATOM 1708 CA GLN B 33 14.086 -9.461 -0.499 1.00 0.40 C ATOM 1709 C GLN B 33 15.027 -8.695 -1.414 1.00 0.39 C ATOM 1710 O GLN B 33 16.175 -9.087 -1.611 1.00 0.48 O ATOM 1711 CB GLN B 33 13.123 -10.276 -1.347 1.00 0.43 C ATOM 1712 CG GLN B 33 12.065 -10.982 -0.543 1.00 0.47 C ATOM 1713 CD GLN B 33 12.638 -11.996 0.421 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.850 -13.155 0.067 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.871 -11.573 1.647 1.00 0.57 N ATOM 0 H GLN B 33 12.334 -8.688 0.336 1.00 0.35 H new ATOM 0 HA GLN B 33 14.677 -10.123 0.134 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.640 -9.617 -2.069 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.688 -11.014 -1.917 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.487 -10.245 0.014 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.374 -11.483 -1.221 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.680 -10.603 1.897 1.00 0.57 H new ATOM 0 HE22 GLN B 33 13.242 -12.216 2.346 1.00 0.57 H new ATOM 1724 N TYR B 34 14.541 -7.594 -1.962 1.00 0.32 N ATOM 1725 CA TYR B 34 15.307 -6.851 -2.938 1.00 0.32 C ATOM 1726 C TYR B 34 15.486 -5.379 -2.566 1.00 0.30 C ATOM 1727 O TYR B 34 16.229 -4.666 -3.240 1.00 0.37 O ATOM 1728 CB TYR B 34 14.656 -6.977 -4.313 1.00 0.32 C ATOM 1729 CG TYR B 34 13.146 -7.081 -4.292 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.371 -6.174 -3.586 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.492 -8.083 -4.999 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.005 -6.256 -3.579 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.114 -8.173 -4.996 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.374 -7.257 -4.284 1.00 0.34 C ATOM 1735 OH TYR B 34 9.002 -7.346 -4.275 1.00 0.40 O ATOM 0 H TYR B 34 13.625 -7.200 -1.747 1.00 0.32 H new ATOM 0 HA TYR B 34 16.306 -7.287 -2.959 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.939 -6.113 -4.914 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.060 -7.858 -4.812 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.856 -5.386 -3.029 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.070 -8.802 -5.559 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.423 -5.537 -3.022 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.620 -8.958 -5.549 1.00 0.42 H new ATOM 0 HH TYR B 34 8.620 -6.484 -4.009 1.00 0.40 H new ATOM 1745 N PHE B 35 14.813 -4.910 -1.515 1.00 0.27 N ATOM 1746 CA PHE B 35 14.982 -3.524 -1.091 1.00 0.26 C ATOM 1747 C PHE B 35 14.420 -3.269 0.306 1.00 0.25 C ATOM 1748 O PHE B 35 13.399 -3.831 0.679 1.00 0.25 O ATOM 1749 CB PHE B 35 14.365 -2.553 -2.114 1.00 0.25 C ATOM 1750 CG PHE B 35 12.920 -2.776 -2.466 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.941 -2.769 -1.500 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.549 -2.962 -3.786 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.624 -2.946 -1.831 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.225 -3.144 -4.127 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.260 -3.135 -3.146 1.00 0.18 C ATOM 0 H PHE B 35 14.160 -5.457 -0.954 1.00 0.27 H new ATOM 0 HA PHE B 35 16.055 -3.339 -1.042 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.469 -1.539 -1.727 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.951 -2.606 -3.031 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.215 -2.622 -0.466 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.304 -2.965 -4.558 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.869 -2.937 -1.059 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.947 -3.293 -5.160 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.221 -3.276 -3.406 1.00 0.18 H new ATOM 1765 N THR B 36 15.123 -2.427 1.072 1.00 0.27 N ATOM 1766 CA THR B 36 14.678 -1.966 2.393 1.00 0.27 C ATOM 1767 C THR B 36 15.523 -0.781 2.864 1.00 0.32 C ATOM 1768 O THR B 36 16.294 -0.214 2.090 1.00 0.45 O ATOM 1769 CB THR B 36 14.730 -3.081 3.459 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.839 -3.955 3.214 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.435 -3.863 3.478 1.00 0.27 C ATOM 0 H THR B 36 16.025 -2.043 0.790 1.00 0.27 H new ATOM 0 HA THR B 36 13.638 -1.660 2.277 1.00 0.27 H new ATOM 0 HB THR B 36 14.863 -2.616 4.436 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.861 -4.656 3.899 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.493 -4.644 4.236 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.608 -3.192 3.710 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.270 -4.317 2.501 1.00 0.27 H new ATOM 1779 N ALA B 37 15.361 -0.404 4.127 1.00 0.32 N ATOM 1780 CA ALA B 37 16.096 0.719 4.709 1.00 0.35 C ATOM 1781 C ALA B 37 16.813 0.278 5.977 1.00 0.43 C ATOM 1782 O ALA B 37 17.066 -0.914 6.163 1.00 0.53 O ATOM 1783 CB ALA B 37 15.148 1.868 5.025 1.00 0.29 C ATOM 0 H ALA B 37 14.721 -0.863 4.775 1.00 0.32 H new ATOM 0 HA ALA B 37 16.834 1.061 3.983 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.711 2.695 5.457 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.661 2.200 4.108 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.393 1.532 5.736 1.00 0.29 H new ATOM 1789 N ARG B 38 17.137 1.237 6.843 1.00 0.44 N ATOM 1790 CA ARG B 38 17.787 0.931 8.114 1.00 0.52 C ATOM 1791 C ARG B 38 16.905 0.015 8.965 1.00 0.56 C ATOM 1792 O ARG B 38 17.385 -0.971 9.527 1.00 0.67 O ATOM 1793 CB ARG B 38 18.114 2.219 8.892 1.00 0.57 C ATOM 1794 CG ARG B 38 16.935 2.788 9.666 1.00 0.67 C ATOM 1795 CD ARG B 38 16.370 4.034 9.036 1.00 0.93 C ATOM 1796 NE ARG B 38 17.159 5.225 9.344 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.080 5.888 10.500 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.297 5.440 11.480 1.00 2.75 N ATOM 1799 NH2 ARG B 38 17.790 6.992 10.685 1.00 2.94 N ATOM 0 H ARG B 38 16.960 2.229 6.687 1.00 0.44 H new ATOM 0 HA ARG B 38 18.721 0.415 7.894 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.928 2.015 9.588 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.474 2.973 8.192 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.152 2.033 9.733 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.250 3.012 10.685 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.325 3.902 7.955 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.347 4.180 9.382 1.00 0.93 H new ATOM 0 HE ARG B 38 17.807 5.569 8.635 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.754 4.586 11.349 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.240 5.950 12.361 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.399 7.337 9.943 1.00 2.94 H new ATOM 0 HH22 ARG B 38 17.727 7.496 11.569 1.00 2.94 H new ATOM 1813 N TRP B 39 15.613 0.345 9.012 1.00 0.54 N ATOM 1814 CA TRP B 39 14.628 -0.374 9.813 1.00 0.64 C ATOM 1815 C TRP B 39 15.047 -0.506 11.273 1.00 0.85 C ATOM 1816 O TRP B 39 15.556 -1.574 11.666 1.00 1.41 O ATOM 1817 CB TRP B 39 14.348 -1.730 9.180 1.00 0.60 C ATOM 1818 CG TRP B 39 13.595 -1.589 7.907 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.750 -0.611 6.981 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.567 -2.439 7.432 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.862 -0.791 5.954 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.129 -1.919 6.204 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.974 -3.593 7.926 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.120 -2.522 5.466 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.979 -4.183 7.193 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.561 -3.651 5.975 1.00 0.25 C ATOM 1827 OXT TRP B 39 14.837 0.463 12.033 1.00 1.45 O ATOM 0 H TRP B 39 15.220 1.127 8.489 1.00 0.54 H new ATOM 0 HA TRP B 39 13.707 0.209 9.822 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.289 -2.247 8.992 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.778 -2.347 9.875 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.469 0.193 7.044 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.764 -0.185 5.139 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.290 -4.016 8.868 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.792 -2.110 4.523 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.508 -5.080 7.567 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.776 -4.147 5.424 1.00 0.25 H new