USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 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 75 LYS NZ :NH3+ -108:sc= 0.809 (180deg=-1.8) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 74 CYS SG : rot -42:sc= -0.053 USER MOD Set 2.2: A 78 THR OG1 : rot 58:sc= 1.32 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.513 F(o=-2.3,f=-0.51) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -137:sc= -1.14 (180deg=-4.18!) USER MOD Single : A 77 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.8!) USER MOD Single : A 81 HIS : no HE2:sc= 0.768 K(o=0.77,f=-5.9!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0614 F(o=-1.2!,f=-0.061) USER MOD Single : A 92 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1) USER MOD Single : A 93 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.11) USER MOD Single : A 96 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 106 CYS SG : rot -22:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.12 K(o=1.1,f=-0.027) USER MOD Single : A 110 SER OG : rot -17:sc= 1.05 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 140:sc= 0.843 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0946 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.1! C(o=-12!,f=-12!) USER MOD Single : A 131 CYS SG : rot 140:sc= -1.41! USER MOD Single : A 132 THR OG1 : rot 80:sc= -0.0374 USER MOD Single : A 135 LYS NZ :NH3+ -127:sc= 0.0294 (180deg=0) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.186 F(o=-0.69,f=0.19) USER MOD Single : A 138 SER OG : rot 14:sc= -1.1! USER MOD Single : B 27 SER OG : rot -24:sc= 0.72 USER MOD Single : B 29 SER OG : rot 180:sc=0.000561 USER MOD Single : B 33 GLN : amide:sc= 0.525 K(o=0.53,f=-0.0099) USER MOD Single : B 34 TYR OH : rot 14:sc= 0.381 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -15.063 6.175 -1.910 1.00 0.57 N ATOM 118 CA TYR A 59 -13.732 6.413 -1.386 1.00 0.44 C ATOM 119 C TYR A 59 -12.668 6.115 -2.414 1.00 0.41 C ATOM 120 O TYR A 59 -11.495 6.380 -2.182 1.00 0.42 O ATOM 121 CB TYR A 59 -13.529 5.533 -0.166 1.00 0.66 C ATOM 122 CG TYR A 59 -14.643 5.696 0.821 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.782 6.842 1.591 1.00 1.06 C ATOM 124 CD2 TYR A 59 -15.545 4.684 0.978 1.00 1.04 C ATOM 125 CE1 TYR A 59 -15.813 6.962 2.500 1.00 1.30 C ATOM 126 CE2 TYR A 59 -16.580 4.785 1.879 1.00 1.27 C ATOM 127 CZ TYR A 59 -16.687 6.066 2.648 1.00 1.34 C ATOM 128 OH TYR A 59 -17.743 6.039 3.544 1.00 1.64 O ATOM 0 HA TYR A 59 -13.643 7.466 -1.119 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -13.466 4.490 -0.475 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.581 5.783 0.310 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.074 7.650 1.477 1.00 1.06 H new ATOM 0 HD2 TYR A 59 -15.445 3.787 0.384 1.00 1.04 H new ATOM 0 HE1 TYR A 59 -15.873 7.854 3.105 1.00 1.30 H new ATOM 0 HE2 TYR A 59 -17.283 3.978 2.025 1.00 1.27 H new ATOM 0 HH TYR A 59 -18.254 5.212 3.423 1.00 1.64 H new ATOM 138 N LYS A 60 -13.096 5.566 -3.544 1.00 0.42 N ATOM 139 CA LYS A 60 -12.185 5.170 -4.601 1.00 0.43 C ATOM 140 C LYS A 60 -11.187 6.282 -4.928 1.00 0.40 C ATOM 141 O LYS A 60 -9.997 6.115 -4.697 1.00 0.41 O ATOM 142 CB LYS A 60 -12.973 4.728 -5.838 1.00 0.52 C ATOM 143 CG LYS A 60 -13.977 5.750 -6.352 1.00 1.16 C ATOM 144 CD LYS A 60 -14.601 5.314 -7.669 1.00 1.35 C ATOM 145 CE LYS A 60 -15.310 3.974 -7.547 1.00 1.75 C ATOM 146 NZ LYS A 60 -15.921 3.551 -8.834 1.00 2.29 N ATOM 0 H LYS A 60 -14.079 5.385 -3.749 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.599 4.320 -4.251 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.269 4.497 -6.637 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.503 3.805 -5.604 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -14.761 5.895 -5.609 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.481 6.712 -6.485 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -15.311 6.071 -8.002 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -13.826 5.246 -8.433 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.600 3.216 -7.216 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -16.084 4.041 -6.782 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -16.394 2.633 -8.709 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -16.617 4.261 -9.138 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -15.179 3.462 -9.558 1.00 2.29 H new ATOM 160 N LEU A 61 -11.677 7.430 -5.395 1.00 0.45 N ATOM 161 CA LEU A 61 -10.806 8.551 -5.763 1.00 0.49 C ATOM 162 C LEU A 61 -9.893 8.950 -4.612 1.00 0.38 C ATOM 163 O LEU A 61 -8.740 9.317 -4.826 1.00 0.41 O ATOM 164 CB LEU A 61 -11.622 9.774 -6.191 1.00 0.62 C ATOM 165 CG LEU A 61 -12.679 10.248 -5.193 1.00 0.63 C ATOM 166 CD1 LEU A 61 -12.793 11.762 -5.229 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.028 9.620 -5.511 1.00 0.81 C ATOM 0 H LEU A 61 -12.672 7.610 -5.528 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.199 8.209 -6.601 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -10.934 10.598 -6.383 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.117 9.546 -7.135 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.374 9.938 -4.193 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.549 12.087 -4.514 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -11.832 12.206 -4.968 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.080 12.082 -6.231 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.770 9.967 -4.792 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.335 9.908 -6.516 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.947 8.535 -5.453 1.00 0.81 H new ATOM 179 N GLU A 62 -10.422 8.887 -3.401 1.00 0.33 N ATOM 180 CA GLU A 62 -9.653 9.195 -2.213 1.00 0.30 C ATOM 181 C GLU A 62 -8.386 8.364 -2.131 1.00 0.26 C ATOM 182 O GLU A 62 -7.300 8.917 -1.991 1.00 0.32 O ATOM 183 CB GLU A 62 -10.517 9.033 -0.961 1.00 0.41 C ATOM 184 CG GLU A 62 -11.135 10.348 -0.564 1.00 0.50 C ATOM 185 CD GLU A 62 -11.643 10.382 0.863 1.00 1.29 C ATOM 186 OE1 GLU A 62 -12.632 9.689 1.166 1.00 2.00 O ATOM 187 OE2 GLU A 62 -11.068 11.140 1.679 1.00 1.51 O ATOM 0 H GLU A 62 -11.390 8.623 -3.217 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.339 10.237 -2.276 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.301 8.299 -1.147 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.909 8.649 -0.141 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.397 11.139 -0.695 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.962 10.568 -1.239 1.00 0.50 H new ATOM 194 N ASN A 63 -8.512 7.056 -2.276 1.00 0.24 N ATOM 195 CA ASN A 63 -7.340 6.183 -2.211 1.00 0.23 C ATOM 196 C ASN A 63 -6.599 6.161 -3.543 1.00 0.21 C ATOM 197 O ASN A 63 -5.431 5.785 -3.596 1.00 0.22 O ATOM 198 CB ASN A 63 -7.706 4.758 -1.771 1.00 0.33 C ATOM 199 CG ASN A 63 -8.807 4.123 -2.586 1.00 1.10 C ATOM 200 OD1 ASN A 63 -10.016 4.176 -2.059 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.570 3.553 -3.649 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.397 6.575 -2.437 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.676 6.598 -1.453 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.816 4.131 -1.832 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.010 4.780 -0.724 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.619 3.538 -4.019 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.324 3.096 -4.162 1.00 0.90 H new ATOM 208 N GLU A 64 -7.271 6.569 -4.614 1.00 0.23 N ATOM 209 CA GLU A 64 -6.625 6.723 -5.904 1.00 0.29 C ATOM 210 C GLU A 64 -5.562 7.808 -5.840 1.00 0.29 C ATOM 211 O GLU A 64 -4.405 7.571 -6.194 1.00 0.35 O ATOM 212 CB GLU A 64 -7.655 7.071 -6.974 1.00 0.38 C ATOM 213 CG GLU A 64 -8.657 5.969 -7.237 1.00 0.41 C ATOM 214 CD GLU A 64 -9.534 6.260 -8.437 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.989 6.579 -9.514 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.775 6.193 -8.308 1.00 0.69 O ATOM 0 H GLU A 64 -8.265 6.798 -4.610 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.149 5.778 -6.164 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.190 7.971 -6.671 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.135 7.306 -7.903 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.127 5.030 -7.397 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.284 5.834 -6.356 1.00 0.41 H new ATOM 223 N LYS A 65 -5.956 8.992 -5.373 1.00 0.27 N ATOM 224 CA LYS A 65 -5.011 10.083 -5.169 1.00 0.30 C ATOM 225 C LYS A 65 -4.002 9.672 -4.120 1.00 0.23 C ATOM 226 O LYS A 65 -2.801 9.870 -4.256 1.00 0.30 O ATOM 227 CB LYS A 65 -5.706 11.331 -4.651 1.00 0.39 C ATOM 228 CG LYS A 65 -6.954 11.746 -5.388 1.00 0.65 C ATOM 229 CD LYS A 65 -7.626 12.900 -4.661 1.00 1.23 C ATOM 230 CE LYS A 65 -8.003 12.502 -3.240 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.090 13.675 -2.329 1.00 2.98 N ATOM 0 H LYS A 65 -6.921 9.217 -5.130 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.540 10.296 -6.129 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.962 11.172 -3.604 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.997 12.158 -4.684 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.703 12.043 -6.406 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.640 10.903 -5.462 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -6.956 13.759 -4.636 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.519 13.208 -5.206 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.961 11.983 -3.253 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.265 11.799 -2.854 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -8.349 13.355 -1.374 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -7.169 14.157 -2.294 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.813 14.335 -2.681 1.00 2.98 H new ATOM 245 N LEU A 66 -4.535 9.088 -3.068 1.00 0.16 N ATOM 246 CA LEU A 66 -3.780 8.753 -1.885 1.00 0.15 C ATOM 247 C LEU A 66 -2.643 7.788 -2.160 1.00 0.15 C ATOM 248 O LEU A 66 -1.490 8.060 -1.819 1.00 0.18 O ATOM 249 CB LEU A 66 -4.733 8.161 -0.870 1.00 0.15 C ATOM 250 CG LEU A 66 -4.932 9.030 0.341 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.188 8.640 1.102 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.694 8.916 1.189 1.00 0.22 C ATOM 0 H LEU A 66 -5.520 8.830 -3.012 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.318 9.665 -1.506 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.698 7.988 -1.346 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.356 7.189 -0.552 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.078 10.069 0.045 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.302 9.287 1.971 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.056 8.749 0.452 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.108 7.603 1.430 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.804 9.536 2.079 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.551 7.877 1.486 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.829 9.253 0.617 1.00 0.22 H new ATOM 264 N PHE A 67 -2.975 6.659 -2.758 1.00 0.14 N ATOM 265 CA PHE A 67 -1.994 5.637 -3.061 1.00 0.15 C ATOM 266 C PHE A 67 -0.847 6.202 -3.894 1.00 0.17 C ATOM 267 O PHE A 67 0.316 5.872 -3.665 1.00 0.20 O ATOM 268 CB PHE A 67 -2.656 4.475 -3.794 1.00 0.15 C ATOM 269 CG PHE A 67 -1.983 3.176 -3.526 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.885 2.779 -4.257 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.448 2.362 -2.517 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.258 1.580 -3.987 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.831 1.165 -2.235 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.732 0.769 -2.972 1.00 0.19 C ATOM 0 H PHE A 67 -3.926 6.427 -3.045 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.580 5.276 -2.120 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.701 4.408 -3.493 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.645 4.672 -4.866 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.512 3.412 -5.048 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.308 2.667 -1.940 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.601 1.276 -4.567 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.205 0.537 -1.440 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.245 -0.170 -2.756 1.00 0.19 H new ATOM 284 N GLU A 68 -1.168 7.072 -4.840 1.00 0.18 N ATOM 285 CA GLU A 68 -0.139 7.642 -5.691 1.00 0.23 C ATOM 286 C GLU A 68 0.658 8.724 -4.967 1.00 0.19 C ATOM 287 O GLU A 68 1.812 8.948 -5.310 1.00 0.24 O ATOM 288 CB GLU A 68 -0.707 8.167 -7.012 1.00 0.40 C ATOM 289 CG GLU A 68 -1.743 9.253 -6.867 1.00 0.54 C ATOM 290 CD GLU A 68 -2.212 9.784 -8.204 1.00 1.13 C ATOM 291 OE1 GLU A 68 -3.075 9.138 -8.832 1.00 1.39 O ATOM 292 OE2 GLU A 68 -1.718 10.842 -8.638 1.00 1.81 O ATOM 0 H GLU A 68 -2.116 7.393 -5.035 1.00 0.18 H new ATOM 0 HA GLU A 68 0.547 6.831 -5.934 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.115 8.547 -7.619 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.149 7.334 -7.558 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.598 8.865 -6.313 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.328 10.072 -6.279 1.00 0.54 H new ATOM 299 N GLU A 69 0.081 9.373 -3.946 1.00 0.19 N ATOM 300 CA GLU A 69 0.845 10.358 -3.181 1.00 0.22 C ATOM 301 C GLU A 69 2.026 9.666 -2.524 1.00 0.20 C ATOM 302 O GLU A 69 3.143 10.184 -2.501 1.00 0.28 O ATOM 303 CB GLU A 69 -0.012 11.053 -2.123 1.00 0.26 C ATOM 304 CG GLU A 69 -1.187 11.797 -2.714 1.00 0.34 C ATOM 305 CD GLU A 69 -1.857 12.743 -1.737 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.287 13.824 -1.476 1.00 1.31 O ATOM 307 OE2 GLU A 69 -2.963 12.429 -1.250 1.00 1.78 O ATOM 0 H GLU A 69 -0.883 9.238 -3.640 1.00 0.19 H new ATOM 0 HA GLU A 69 1.194 11.129 -3.868 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.378 10.310 -1.414 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.609 11.751 -1.561 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.849 12.363 -3.582 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.922 11.075 -3.071 1.00 0.34 H new ATOM 314 N PHE A 70 1.757 8.469 -2.022 1.00 0.15 N ATOM 315 CA PHE A 70 2.779 7.608 -1.452 1.00 0.13 C ATOM 316 C PHE A 70 3.805 7.248 -2.510 1.00 0.13 C ATOM 317 O PHE A 70 5.009 7.328 -2.287 1.00 0.14 O ATOM 318 CB PHE A 70 2.130 6.331 -0.927 1.00 0.12 C ATOM 319 CG PHE A 70 3.015 5.526 -0.021 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.188 4.982 -0.497 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.657 5.289 1.292 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.995 4.215 0.313 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.463 4.526 2.116 1.00 0.11 C ATOM 324 CZ PHE A 70 4.634 3.985 1.624 1.00 0.11 C ATOM 0 H PHE A 70 0.819 8.068 -1.999 1.00 0.15 H new ATOM 0 HA PHE A 70 3.274 8.135 -0.636 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.219 6.593 -0.389 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.834 5.711 -1.773 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.479 5.160 -1.522 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.738 5.704 1.679 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.910 3.794 -0.078 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.177 4.353 3.143 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.264 3.384 2.263 1.00 0.11 H new ATOM 334 N LEU A 71 3.313 6.861 -3.665 1.00 0.14 N ATOM 335 CA LEU A 71 4.148 6.350 -4.720 1.00 0.15 C ATOM 336 C LEU A 71 5.037 7.398 -5.314 1.00 0.16 C ATOM 337 O LEU A 71 6.222 7.172 -5.486 1.00 0.18 O ATOM 338 CB LEU A 71 3.268 5.754 -5.778 1.00 0.17 C ATOM 339 CG LEU A 71 2.620 4.471 -5.327 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.684 3.953 -6.379 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.701 3.473 -5.000 1.00 0.16 C ATOM 0 H LEU A 71 2.320 6.893 -3.896 1.00 0.14 H new ATOM 0 HA LEU A 71 4.808 5.593 -4.295 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.495 6.472 -6.051 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.859 5.565 -6.674 1.00 0.17 H new ATOM 0 HG LEU A 71 2.023 4.649 -4.433 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.226 3.026 -6.034 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.906 4.693 -6.570 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.239 3.764 -7.298 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.246 2.538 -4.672 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.307 3.290 -5.887 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.333 3.868 -4.204 1.00 0.16 H new ATOM 353 N GLU A 72 4.470 8.536 -5.637 1.00 0.16 N ATOM 354 CA GLU A 72 5.241 9.620 -6.208 1.00 0.19 C ATOM 355 C GLU A 72 6.301 10.073 -5.214 1.00 0.18 C ATOM 356 O GLU A 72 7.380 10.518 -5.597 1.00 0.21 O ATOM 357 CB GLU A 72 4.324 10.750 -6.627 1.00 0.24 C ATOM 358 CG GLU A 72 3.192 10.271 -7.519 1.00 0.29 C ATOM 359 CD GLU A 72 3.581 10.216 -8.976 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.288 11.133 -9.436 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.180 9.261 -9.671 1.00 1.17 O ATOM 0 H GLU A 72 3.478 8.738 -5.515 1.00 0.16 H new ATOM 0 HA GLU A 72 5.755 9.277 -7.106 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.908 11.226 -5.739 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.903 11.509 -7.154 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.874 9.280 -7.195 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.336 10.935 -7.401 1.00 0.29 H new ATOM 368 N LEU A 73 5.983 9.938 -3.935 1.00 0.16 N ATOM 369 CA LEU A 73 6.959 10.107 -2.882 1.00 0.16 C ATOM 370 C LEU A 73 7.999 8.991 -2.960 1.00 0.15 C ATOM 371 O LEU A 73 9.200 9.245 -2.918 1.00 0.18 O ATOM 372 CB LEU A 73 6.248 10.079 -1.533 1.00 0.16 C ATOM 373 CG LEU A 73 7.142 9.861 -0.325 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.379 11.165 0.417 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.523 8.813 0.578 1.00 0.16 C ATOM 0 H LEU A 73 5.045 9.710 -3.605 1.00 0.16 H new ATOM 0 HA LEU A 73 7.468 11.064 -2.998 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.716 11.021 -1.403 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.497 9.289 -1.554 1.00 0.16 H new ATOM 0 HG LEU A 73 8.115 9.502 -0.659 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.022 10.982 1.278 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.860 11.881 -0.250 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.425 11.569 0.756 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.164 8.656 1.445 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.541 9.152 0.909 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.418 7.877 0.030 1.00 0.16 H new ATOM 387 N CYS A 74 7.526 7.754 -3.103 1.00 0.13 N ATOM 388 CA CYS A 74 8.401 6.597 -3.212 1.00 0.13 C ATOM 389 C CYS A 74 9.334 6.734 -4.417 1.00 0.15 C ATOM 390 O CYS A 74 10.470 6.276 -4.379 1.00 0.18 O ATOM 391 CB CYS A 74 7.560 5.325 -3.324 1.00 0.16 C ATOM 392 SG CYS A 74 8.492 3.791 -3.138 1.00 0.50 S ATOM 0 H CYS A 74 6.532 7.531 -3.146 1.00 0.13 H new ATOM 0 HA CYS A 74 9.019 6.537 -2.316 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.778 5.354 -2.565 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.063 5.318 -4.294 1.00 0.16 H new ATOM 0 HG CYS A 74 9.611 3.881 -3.794 1.00 0.50 H new ATOM 398 N LYS A 75 8.851 7.394 -5.473 1.00 0.18 N ATOM 399 CA LYS A 75 9.667 7.684 -6.652 1.00 0.22 C ATOM 400 C LYS A 75 10.932 8.447 -6.269 1.00 0.22 C ATOM 401 O LYS A 75 11.960 8.349 -6.941 1.00 0.26 O ATOM 402 CB LYS A 75 8.892 8.519 -7.666 1.00 0.28 C ATOM 403 CG LYS A 75 8.118 7.711 -8.693 1.00 0.57 C ATOM 404 CD LYS A 75 6.676 7.482 -8.271 1.00 0.61 C ATOM 405 CE LYS A 75 5.748 7.437 -9.458 1.00 0.38 C ATOM 406 NZ LYS A 75 4.367 7.005 -9.111 1.00 0.96 N ATOM 0 H LYS A 75 7.893 7.739 -5.534 1.00 0.18 H new ATOM 0 HA LYS A 75 9.935 6.725 -7.095 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.195 9.163 -7.129 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.591 9.172 -8.189 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.137 8.230 -9.651 1.00 0.57 H new ATOM 0 HG3 LYS A 75 8.609 6.749 -8.842 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.603 6.546 -7.717 1.00 0.61 H new ATOM 0 HD3 LYS A 75 6.364 8.278 -7.595 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.708 8.425 -9.916 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.157 6.756 -10.204 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.202 6.044 -9.474 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 4.251 7.009 -8.077 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 3.681 7.659 -9.539 1.00 0.96 H new ATOM 420 N MET A 76 10.841 9.205 -5.182 1.00 0.22 N ATOM 421 CA MET A 76 11.929 10.062 -4.738 1.00 0.26 C ATOM 422 C MET A 76 12.763 9.337 -3.704 1.00 0.25 C ATOM 423 O MET A 76 13.982 9.467 -3.650 1.00 0.32 O ATOM 424 CB MET A 76 11.377 11.338 -4.097 1.00 0.29 C ATOM 425 CG MET A 76 10.164 11.920 -4.789 1.00 0.27 C ATOM 426 SD MET A 76 9.621 13.470 -4.045 1.00 0.32 S ATOM 427 CE MET A 76 9.332 12.945 -2.359 1.00 0.35 C ATOM 0 H MET A 76 10.013 9.241 -4.587 1.00 0.22 H new ATOM 0 HA MET A 76 12.537 10.318 -5.606 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.119 11.125 -3.060 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.165 12.091 -4.081 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.395 12.087 -5.841 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.348 11.198 -4.753 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.402 13.382 -1.996 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.260 11.858 -2.324 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.158 13.275 -1.729 1.00 0.35 H new ATOM 437 N GLN A 77 12.075 8.576 -2.875 1.00 0.21 N ATOM 438 CA GLN A 77 12.690 7.914 -1.745 1.00 0.22 C ATOM 439 C GLN A 77 13.450 6.679 -2.193 1.00 0.21 C ATOM 440 O GLN A 77 14.649 6.546 -1.946 1.00 0.24 O ATOM 441 CB GLN A 77 11.609 7.518 -0.745 1.00 0.23 C ATOM 442 CG GLN A 77 10.666 8.641 -0.353 1.00 0.30 C ATOM 443 CD GLN A 77 11.310 9.716 0.495 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.501 10.002 0.376 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.512 10.313 1.360 1.00 0.48 N ATOM 0 H GLN A 77 11.074 8.400 -2.967 1.00 0.21 H new ATOM 0 HA GLN A 77 13.396 8.600 -1.277 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.024 6.701 -1.168 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.089 7.134 0.155 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.265 9.098 -1.258 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.822 8.219 0.192 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.531 10.040 1.421 1.00 0.48 H new ATOM 0 HE22 GLN A 77 10.876 11.047 1.967 1.00 0.48 H new ATOM 454 N THR A 78 12.750 5.780 -2.862 1.00 0.18 N ATOM 455 CA THR A 78 13.357 4.576 -3.373 1.00 0.20 C ATOM 456 C THR A 78 13.872 4.839 -4.778 1.00 0.22 C ATOM 457 O THR A 78 13.552 4.134 -5.726 1.00 0.24 O ATOM 458 CB THR A 78 12.359 3.401 -3.370 1.00 0.20 C ATOM 459 OG1 THR A 78 11.271 3.666 -4.266 1.00 0.56 O ATOM 460 CG2 THR A 78 11.808 3.182 -1.973 1.00 0.42 C ATOM 0 H THR A 78 11.754 5.868 -3.062 1.00 0.18 H new ATOM 0 HA THR A 78 14.188 4.296 -2.725 1.00 0.20 H new ATOM 0 HB THR A 78 12.888 2.506 -3.698 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.620 3.813 -5.170 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.105 2.349 -1.986 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.627 2.955 -1.290 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.296 4.084 -1.638 1.00 0.42 H new ATOM 468 N ALA A 79 14.651 5.896 -4.898 1.00 0.25 N ATOM 469 CA ALA A 79 15.221 6.289 -6.170 1.00 0.30 C ATOM 470 C ALA A 79 16.331 5.329 -6.583 1.00 0.34 C ATOM 471 O ALA A 79 16.684 5.230 -7.759 1.00 0.42 O ATOM 472 CB ALA A 79 15.738 7.705 -6.074 1.00 0.32 C ATOM 0 H ALA A 79 14.905 6.504 -4.119 1.00 0.25 H new ATOM 0 HA ALA A 79 14.448 6.247 -6.937 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.167 8.001 -7.031 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.917 8.376 -5.821 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.504 7.761 -5.300 1.00 0.32 H new ATOM 478 N ASP A 80 16.887 4.632 -5.600 1.00 0.35 N ATOM 479 CA ASP A 80 17.879 3.595 -5.858 1.00 0.44 C ATOM 480 C ASP A 80 17.187 2.287 -6.210 1.00 0.38 C ATOM 481 O ASP A 80 17.801 1.368 -6.750 1.00 0.44 O ATOM 482 CB ASP A 80 18.781 3.383 -4.643 1.00 0.59 C ATOM 483 CG ASP A 80 19.625 4.596 -4.323 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.654 4.805 -4.998 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.265 5.346 -3.389 1.00 2.29 O ATOM 0 H ASP A 80 16.667 4.767 -4.613 1.00 0.35 H new ATOM 0 HA ASP A 80 18.496 3.920 -6.696 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.166 3.135 -3.778 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.434 2.529 -4.825 1.00 0.59 H new ATOM 490 N HIS A 81 15.902 2.208 -5.887 1.00 0.35 N ATOM 491 CA HIS A 81 15.104 1.025 -6.183 1.00 0.39 C ATOM 492 C HIS A 81 13.706 1.414 -6.637 1.00 0.34 C ATOM 493 O HIS A 81 12.743 1.259 -5.885 1.00 0.30 O ATOM 494 CB HIS A 81 14.994 0.108 -4.961 1.00 0.49 C ATOM 495 CG HIS A 81 16.227 -0.687 -4.680 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.549 -1.839 -5.362 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.213 -0.497 -3.777 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.681 -2.324 -4.890 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.105 -1.528 -3.926 1.00 1.12 N ATOM 0 H HIS A 81 15.388 2.954 -5.417 1.00 0.35 H new ATOM 0 HA HIS A 81 15.611 0.489 -6.985 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.758 0.714 -4.086 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.159 -0.577 -5.109 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.998 -2.253 -6.114 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.286 0.316 -3.069 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.177 -3.220 -5.234 1.00 2.11 H new ATOM 508 N PRO A 82 13.564 1.914 -7.875 1.00 0.39 N ATOM 509 CA PRO A 82 12.260 2.296 -8.435 1.00 0.39 C ATOM 510 C PRO A 82 11.361 1.090 -8.719 1.00 0.35 C ATOM 511 O PRO A 82 10.443 1.164 -9.526 1.00 0.39 O ATOM 512 CB PRO A 82 12.635 3.003 -9.736 1.00 0.50 C ATOM 513 CG PRO A 82 13.944 2.421 -10.120 1.00 0.53 C ATOM 514 CD PRO A 82 14.659 2.170 -8.829 1.00 0.48 C ATOM 0 HA PRO A 82 11.685 2.912 -7.744 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.885 2.834 -10.509 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.708 4.081 -9.593 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.814 1.497 -10.683 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.507 3.105 -10.755 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.335 1.318 -8.903 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.260 3.028 -8.529 1.00 0.48 H new ATOM 522 N GLU A 83 11.636 -0.011 -8.039 1.00 0.29 N ATOM 523 CA GLU A 83 10.881 -1.244 -8.200 1.00 0.26 C ATOM 524 C GLU A 83 9.692 -1.261 -7.243 1.00 0.19 C ATOM 525 O GLU A 83 8.682 -1.923 -7.492 1.00 0.22 O ATOM 526 CB GLU A 83 11.797 -2.429 -7.913 1.00 0.33 C ATOM 527 CG GLU A 83 13.107 -2.357 -8.679 1.00 0.49 C ATOM 528 CD GLU A 83 14.185 -3.235 -8.085 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.182 -4.451 -8.351 1.00 1.72 O ATOM 530 OE2 GLU A 83 15.050 -2.707 -7.354 1.00 2.05 O ATOM 0 H GLU A 83 12.392 -0.076 -7.357 1.00 0.29 H new ATOM 0 HA GLU A 83 10.505 -1.310 -9.221 1.00 0.26 H new ATOM 0 HB2 GLU A 83 12.008 -2.470 -6.844 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.280 -3.353 -8.171 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.934 -2.653 -9.714 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.455 -1.324 -8.697 1.00 0.49 H new ATOM 537 N VAL A 84 9.841 -0.527 -6.143 1.00 0.15 N ATOM 538 CA VAL A 84 8.816 -0.433 -5.109 1.00 0.11 C ATOM 539 C VAL A 84 7.497 0.095 -5.660 1.00 0.11 C ATOM 540 O VAL A 84 6.445 -0.527 -5.512 1.00 0.13 O ATOM 541 CB VAL A 84 9.258 0.538 -4.004 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.282 0.474 -2.858 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.676 0.256 -3.537 1.00 0.14 C ATOM 0 H VAL A 84 10.678 0.020 -5.944 1.00 0.15 H new ATOM 0 HA VAL A 84 8.678 -1.442 -4.722 1.00 0.11 H new ATOM 0 HB VAL A 84 9.261 1.548 -4.413 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.596 1.163 -2.074 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.289 0.753 -3.210 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.254 -0.540 -2.460 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.949 0.965 -2.755 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.734 -0.759 -3.143 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.363 0.359 -4.377 1.00 0.14 H new ATOM 553 N VAL A 85 7.580 1.266 -6.274 1.00 0.11 N ATOM 554 CA VAL A 85 6.418 1.970 -6.819 1.00 0.13 C ATOM 555 C VAL A 85 5.562 1.072 -7.730 1.00 0.15 C ATOM 556 O VAL A 85 4.368 0.907 -7.472 1.00 0.16 O ATOM 557 CB VAL A 85 6.863 3.241 -7.579 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.676 4.107 -7.938 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.861 4.029 -6.753 1.00 0.15 C ATOM 0 H VAL A 85 8.461 1.762 -6.411 1.00 0.11 H new ATOM 0 HA VAL A 85 5.793 2.258 -5.974 1.00 0.13 H new ATOM 0 HB VAL A 85 7.344 2.927 -8.506 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.020 4.993 -8.471 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.993 3.543 -8.574 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.158 4.410 -7.028 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.164 4.920 -7.302 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.401 4.323 -5.810 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.736 3.411 -6.553 1.00 0.15 H new ATOM 569 N PRO A 86 6.142 0.473 -8.797 1.00 0.17 N ATOM 570 CA PRO A 86 5.409 -0.455 -9.671 1.00 0.20 C ATOM 571 C PRO A 86 4.796 -1.620 -8.897 1.00 0.18 C ATOM 572 O PRO A 86 3.710 -2.092 -9.228 1.00 0.20 O ATOM 573 CB PRO A 86 6.478 -0.971 -10.639 1.00 0.23 C ATOM 574 CG PRO A 86 7.538 0.072 -10.634 1.00 0.22 C ATOM 575 CD PRO A 86 7.531 0.665 -9.254 1.00 0.17 C ATOM 0 HA PRO A 86 4.572 0.038 -10.165 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.871 -1.935 -10.315 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.069 -1.113 -11.639 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.511 -0.360 -10.868 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.338 0.834 -11.387 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.241 0.161 -8.598 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.805 1.720 -9.270 1.00 0.17 H new ATOM 583 N PHE A 87 5.500 -2.072 -7.865 1.00 0.16 N ATOM 584 CA PHE A 87 5.022 -3.164 -7.025 1.00 0.15 C ATOM 585 C PHE A 87 3.735 -2.748 -6.315 1.00 0.14 C ATOM 586 O PHE A 87 2.716 -3.433 -6.412 1.00 0.16 O ATOM 587 CB PHE A 87 6.105 -3.557 -6.008 1.00 0.17 C ATOM 588 CG PHE A 87 5.796 -4.774 -5.169 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.561 -5.403 -5.227 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.754 -5.280 -4.312 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.290 -6.508 -4.450 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.489 -6.386 -3.532 1.00 0.25 C ATOM 593 CZ PHE A 87 5.254 -7.001 -3.600 1.00 0.38 C ATOM 0 H PHE A 87 6.408 -1.697 -7.589 1.00 0.16 H new ATOM 0 HA PHE A 87 4.807 -4.031 -7.649 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.037 -3.734 -6.545 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.277 -2.712 -5.342 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.800 -5.021 -5.891 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.722 -4.804 -4.252 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.323 -6.986 -4.508 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.248 -6.772 -2.867 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.045 -7.866 -2.988 1.00 0.38 H new ATOM 603 N LEU A 88 3.788 -1.623 -5.613 1.00 0.12 N ATOM 604 CA LEU A 88 2.624 -1.110 -4.906 1.00 0.13 C ATOM 605 C LEU A 88 1.456 -0.901 -5.860 1.00 0.14 C ATOM 606 O LEU A 88 0.309 -1.219 -5.534 1.00 0.16 O ATOM 607 CB LEU A 88 2.967 0.191 -4.188 1.00 0.13 C ATOM 608 CG LEU A 88 3.944 0.049 -3.027 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.969 1.333 -2.215 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.559 -1.143 -2.161 1.00 0.20 C ATOM 0 H LEU A 88 4.626 -1.049 -5.519 1.00 0.12 H new ATOM 0 HA LEU A 88 2.326 -1.849 -4.163 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.387 0.888 -4.913 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.045 0.636 -3.814 1.00 0.13 H new ATOM 0 HG LEU A 88 4.946 -0.129 -3.417 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.669 1.226 -1.386 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.284 2.160 -2.851 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.972 1.536 -1.824 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.264 -1.235 -1.335 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.554 -0.996 -1.766 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.584 -2.052 -2.762 1.00 0.20 H new ATOM 622 N TYR A 89 1.756 -0.385 -7.048 1.00 0.16 N ATOM 623 CA TYR A 89 0.740 -0.240 -8.093 1.00 0.20 C ATOM 624 C TYR A 89 0.110 -1.590 -8.397 1.00 0.21 C ATOM 625 O TYR A 89 -1.111 -1.749 -8.374 1.00 0.25 O ATOM 626 CB TYR A 89 1.343 0.294 -9.398 1.00 0.22 C ATOM 627 CG TYR A 89 1.421 1.794 -9.514 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.275 2.558 -9.681 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.644 2.443 -9.486 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.350 3.931 -9.810 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.728 3.811 -9.617 1.00 0.37 C ATOM 632 CZ TYR A 89 1.581 4.552 -9.777 1.00 0.43 C ATOM 633 OH TYR A 89 1.669 5.919 -9.911 1.00 0.54 O ATOM 0 H TYR A 89 2.686 -0.062 -7.313 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.003 0.465 -7.720 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.348 -0.113 -9.506 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.753 -0.087 -10.232 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.689 2.072 -9.711 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.548 1.866 -9.359 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.550 4.515 -9.936 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.691 4.300 -9.594 1.00 0.37 H new ATOM 0 HH TYR A 89 0.857 6.336 -9.553 1.00 0.54 H new ATOM 643 N ASN A 90 0.975 -2.563 -8.647 1.00 0.19 N ATOM 644 CA ASN A 90 0.568 -3.892 -9.076 1.00 0.23 C ATOM 645 C ASN A 90 -0.309 -4.560 -8.025 1.00 0.22 C ATOM 646 O ASN A 90 -1.363 -5.105 -8.342 1.00 0.27 O ATOM 647 CB ASN A 90 1.808 -4.746 -9.335 1.00 0.27 C ATOM 648 CG ASN A 90 1.565 -5.912 -10.275 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.366 -6.466 -10.263 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.464 -6.319 -11.008 1.00 0.67 N flip ATOM 0 H ASN A 90 1.985 -2.451 -8.557 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.012 -3.798 -9.994 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.592 -4.114 -9.751 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.178 -5.129 -8.384 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.379 -5.868 -10.992 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.295 -7.108 -11.632 1.00 0.67 H new ATOM 657 N ARG A 91 0.131 -4.507 -6.777 1.00 0.19 N ATOM 658 CA ARG A 91 -0.586 -5.150 -5.687 1.00 0.20 C ATOM 659 C ARG A 91 -1.946 -4.496 -5.448 1.00 0.20 C ATOM 660 O ARG A 91 -2.916 -5.187 -5.145 1.00 0.22 O ATOM 661 CB ARG A 91 0.256 -5.135 -4.410 1.00 0.22 C ATOM 662 CG ARG A 91 -0.435 -5.789 -3.226 1.00 0.26 C ATOM 663 CD ARG A 91 -0.993 -7.153 -3.584 1.00 0.36 C ATOM 664 NE ARG A 91 0.057 -8.154 -3.797 1.00 0.80 N ATOM 665 CZ ARG A 91 0.644 -8.855 -2.824 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.376 -8.605 -1.547 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.524 -9.796 -3.131 1.00 1.25 N ATOM 0 H ARG A 91 0.984 -4.024 -6.494 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.767 -6.187 -5.972 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.199 -5.647 -4.599 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.499 -4.103 -4.155 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.272 -5.890 -2.403 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.243 -5.146 -2.876 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.656 -7.491 -2.787 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.598 -7.068 -4.487 1.00 0.36 H new ATOM 0 HE ARG A 91 0.360 -8.327 -4.755 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.286 -7.869 -1.299 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.832 -9.149 -0.814 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.751 -9.983 -4.108 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.975 -10.334 -2.391 1.00 1.25 H new ATOM 681 N GLN A 92 -2.024 -3.176 -5.592 1.00 0.19 N ATOM 682 CA GLN A 92 -3.295 -2.480 -5.415 1.00 0.21 C ATOM 683 C GLN A 92 -4.293 -2.934 -6.471 1.00 0.24 C ATOM 684 O GLN A 92 -5.484 -3.067 -6.203 1.00 0.26 O ATOM 685 CB GLN A 92 -3.118 -0.964 -5.499 1.00 0.23 C ATOM 686 CG GLN A 92 -4.417 -0.206 -5.262 1.00 0.34 C ATOM 687 CD GLN A 92 -4.316 1.268 -5.592 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.550 1.670 -6.464 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.107 2.079 -4.908 1.00 0.78 N ATOM 0 H GLN A 92 -1.235 -2.574 -5.827 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.672 -2.727 -4.423 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.378 -0.648 -4.764 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.724 -0.702 -6.481 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.207 -0.654 -5.866 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.711 -0.319 -4.218 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.728 1.702 -4.192 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.096 3.081 -5.097 1.00 0.78 H new ATOM 698 N GLN A 93 -3.786 -3.190 -7.669 1.00 0.26 N ATOM 699 CA GLN A 93 -4.628 -3.611 -8.781 1.00 0.32 C ATOM 700 C GLN A 93 -5.057 -5.059 -8.587 1.00 0.34 C ATOM 701 O GLN A 93 -6.070 -5.500 -9.131 1.00 0.40 O ATOM 702 CB GLN A 93 -3.896 -3.469 -10.119 1.00 0.36 C ATOM 703 CG GLN A 93 -3.336 -2.087 -10.395 1.00 0.38 C ATOM 704 CD GLN A 93 -4.352 -0.994 -10.205 1.00 0.44 C ATOM 705 OE1 GLN A 93 -5.094 -0.640 -11.120 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.377 -0.450 -9.009 1.00 0.57 N ATOM 0 H GLN A 93 -2.795 -3.113 -7.896 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.506 -2.965 -8.800 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.078 -4.189 -10.148 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.583 -3.734 -10.923 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.488 -1.906 -9.735 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.958 -2.051 -11.417 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.740 -0.781 -8.285 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.034 0.303 -8.805 1.00 0.57 H new ATOM 715 N ARG A 94 -4.278 -5.803 -7.808 1.00 0.33 N ATOM 716 CA ARG A 94 -4.601 -7.196 -7.540 1.00 0.38 C ATOM 717 C ARG A 94 -5.364 -7.311 -6.225 1.00 0.32 C ATOM 718 O ARG A 94 -5.604 -8.409 -5.718 1.00 0.46 O ATOM 719 CB ARG A 94 -3.347 -8.070 -7.506 1.00 0.47 C ATOM 720 CG ARG A 94 -2.471 -7.915 -8.737 1.00 0.70 C ATOM 721 CD ARG A 94 -3.258 -8.023 -10.037 1.00 0.95 C ATOM 722 NE ARG A 94 -3.870 -9.335 -10.239 1.00 1.67 N ATOM 723 CZ ARG A 94 -4.829 -9.563 -11.138 1.00 2.40 C ATOM 724 NH1 ARG A 94 -5.265 -8.574 -11.910 1.00 2.73 N ATOM 725 NH2 ARG A 94 -5.341 -10.777 -11.289 1.00 3.24 N ATOM 0 H ARG A 94 -3.427 -5.467 -7.356 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.230 -7.557 -8.354 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.763 -7.821 -6.620 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.643 -9.114 -7.409 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.968 -6.948 -8.701 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.694 -8.679 -8.723 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -4.038 -7.262 -10.045 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.594 -7.808 -10.874 1.00 0.95 H new ATOM 0 HE ARG A 94 -3.548 -10.114 -9.665 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.867 -7.640 -11.816 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -5.998 -8.749 -12.597 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -5.002 -11.549 -10.714 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -6.074 -10.939 -11.980 1.00 3.24 H new ATOM 739 N ALA A 95 -5.718 -6.162 -5.668 1.00 0.28 N ATOM 740 CA ALA A 95 -6.544 -6.101 -4.482 1.00 0.25 C ATOM 741 C ALA A 95 -7.985 -5.817 -4.891 1.00 0.26 C ATOM 742 O ALA A 95 -8.233 -5.120 -5.876 1.00 0.36 O ATOM 743 CB ALA A 95 -6.009 -5.028 -3.541 1.00 0.25 C ATOM 0 H ALA A 95 -5.439 -5.250 -6.029 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.518 -7.054 -3.953 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.632 -4.983 -2.648 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.985 -5.271 -3.257 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.026 -4.061 -4.044 1.00 0.25 H new ATOM 749 N HIS A 96 -8.925 -6.399 -4.166 1.00 0.29 N ATOM 750 CA HIS A 96 -10.341 -6.241 -4.472 1.00 0.29 C ATOM 751 C HIS A 96 -10.801 -4.818 -4.165 1.00 0.27 C ATOM 752 O HIS A 96 -10.608 -4.318 -3.057 1.00 0.29 O ATOM 753 CB HIS A 96 -11.169 -7.250 -3.681 1.00 0.33 C ATOM 754 CG HIS A 96 -12.503 -7.527 -4.290 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.607 -6.770 -3.986 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.848 -8.474 -5.191 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.596 -7.274 -4.708 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.181 -8.306 -5.452 1.00 0.50 N ATOM 0 H HIS A 96 -8.734 -6.989 -3.356 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.487 -6.427 -5.536 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.612 -8.184 -3.602 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.311 -6.877 -2.667 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.197 -9.220 -5.622 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.609 -6.900 -4.698 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.749 -8.861 -6.091 1.00 0.50 H new ATOM 766 N SER A 97 -11.442 -4.193 -5.142 1.00 0.32 N ATOM 767 CA SER A 97 -11.743 -2.765 -5.092 1.00 0.37 C ATOM 768 C SER A 97 -12.770 -2.394 -4.019 1.00 0.33 C ATOM 769 O SER A 97 -12.970 -1.216 -3.748 1.00 0.39 O ATOM 770 CB SER A 97 -12.237 -2.301 -6.461 1.00 0.48 C ATOM 771 OG SER A 97 -11.378 -2.764 -7.491 1.00 1.46 O ATOM 0 H SER A 97 -11.768 -4.657 -5.990 1.00 0.32 H new ATOM 0 HA SER A 97 -10.817 -2.258 -4.822 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.248 -2.670 -6.632 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.287 -1.212 -6.485 1.00 0.48 H new ATOM 0 HG SER A 97 -11.713 -2.457 -8.359 1.00 1.46 H new ATOM 777 N LEU A 98 -13.411 -3.374 -3.397 1.00 0.29 N ATOM 778 CA LEU A 98 -14.435 -3.081 -2.408 1.00 0.32 C ATOM 779 C LEU A 98 -13.822 -2.592 -1.102 1.00 0.35 C ATOM 780 O LEU A 98 -14.262 -1.584 -0.546 1.00 0.43 O ATOM 781 CB LEU A 98 -15.309 -4.300 -2.168 1.00 0.35 C ATOM 782 CG LEU A 98 -16.288 -4.609 -3.295 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.226 -5.732 -2.886 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.070 -3.362 -3.683 1.00 0.67 C ATOM 0 H LEU A 98 -13.242 -4.367 -3.558 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.059 -2.279 -2.801 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.667 -5.167 -2.014 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.871 -4.152 -1.246 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.722 -4.936 -4.167 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.919 -5.942 -3.700 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.646 -6.628 -2.663 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.787 -5.433 -2.000 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.763 -3.603 -4.489 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.629 -3.000 -2.820 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.379 -2.589 -4.018 1.00 0.67 H new ATOM 796 N PHE A 99 -12.825 -3.315 -0.609 1.00 0.32 N ATOM 797 CA PHE A 99 -12.055 -2.860 0.543 1.00 0.34 C ATOM 798 C PHE A 99 -11.326 -1.567 0.206 1.00 0.34 C ATOM 799 O PHE A 99 -11.282 -0.638 1.015 1.00 0.39 O ATOM 800 CB PHE A 99 -11.050 -3.928 0.995 1.00 0.36 C ATOM 801 CG PHE A 99 -9.939 -3.385 1.855 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.195 -2.918 3.136 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.639 -3.331 1.371 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.175 -2.411 3.919 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.618 -2.824 2.150 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.886 -2.363 3.425 1.00 0.58 C ATOM 0 H PHE A 99 -12.531 -4.216 -0.986 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.749 -2.679 1.364 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.580 -4.703 1.548 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.617 -4.404 0.115 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.202 -2.951 3.526 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.424 -3.689 0.375 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.386 -2.053 4.916 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.610 -2.788 1.763 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.088 -1.965 4.035 1.00 0.58 H new ATOM 816 N LEU A 100 -10.749 -1.520 -0.988 1.00 0.31 N ATOM 817 CA LEU A 100 -10.044 -0.335 -1.442 1.00 0.36 C ATOM 818 C LEU A 100 -10.967 0.880 -1.430 1.00 0.45 C ATOM 819 O LEU A 100 -10.633 1.905 -0.847 1.00 0.79 O ATOM 820 CB LEU A 100 -9.495 -0.573 -2.845 1.00 0.37 C ATOM 821 CG LEU A 100 -8.699 -1.869 -2.997 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.308 -2.095 -4.440 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.465 -1.857 -2.111 1.00 0.70 C ATOM 0 H LEU A 100 -10.757 -2.290 -1.657 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.215 -0.135 -0.762 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.326 -0.586 -3.550 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.856 0.266 -3.120 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.340 -2.692 -2.680 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.743 -3.023 -4.523 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.206 -2.161 -5.054 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.693 -1.264 -4.785 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.917 -2.790 -2.238 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.825 -1.020 -2.389 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.766 -1.752 -1.069 1.00 0.70 H new ATOM 835 N ALA A 101 -12.156 0.743 -2.022 1.00 0.28 N ATOM 836 CA ALA A 101 -13.130 1.834 -2.051 1.00 0.33 C ATOM 837 C ALA A 101 -13.858 1.952 -0.716 1.00 0.36 C ATOM 838 O ALA A 101 -15.088 1.976 -0.659 1.00 0.57 O ATOM 839 CB ALA A 101 -14.134 1.645 -3.187 1.00 0.36 C ATOM 0 H ALA A 101 -12.466 -0.111 -2.486 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.582 2.760 -2.228 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.846 2.470 -3.185 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.605 1.624 -4.140 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.668 0.705 -3.048 1.00 0.36 H new ATOM 845 N SER A 102 -13.087 2.027 0.351 1.00 0.34 N ATOM 846 CA SER A 102 -13.624 2.187 1.684 1.00 0.36 C ATOM 847 C SER A 102 -12.783 3.203 2.440 1.00 0.36 C ATOM 848 O SER A 102 -11.570 3.299 2.226 1.00 0.46 O ATOM 849 CB SER A 102 -13.624 0.843 2.420 1.00 0.40 C ATOM 850 OG SER A 102 -14.186 0.962 3.716 1.00 1.39 O ATOM 0 H SER A 102 -12.069 1.978 0.316 1.00 0.34 H new ATOM 0 HA SER A 102 -14.653 2.542 1.622 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.189 0.111 1.843 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.603 0.469 2.498 1.00 0.40 H new ATOM 0 HG SER A 102 -14.173 0.088 4.159 1.00 1.39 H new ATOM 856 N ALA A 103 -13.440 3.976 3.307 1.00 0.35 N ATOM 857 CA ALA A 103 -12.759 4.938 4.167 1.00 0.36 C ATOM 858 C ALA A 103 -11.706 4.240 5.008 1.00 0.29 C ATOM 859 O ALA A 103 -10.744 4.852 5.469 1.00 0.30 O ATOM 860 CB ALA A 103 -13.759 5.633 5.068 1.00 0.44 C ATOM 0 H ALA A 103 -14.452 3.951 3.430 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.271 5.682 3.537 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.239 6.348 5.705 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.495 6.158 4.458 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.264 4.894 5.690 1.00 0.44 H new ATOM 866 N GLU A 104 -11.910 2.945 5.194 1.00 0.29 N ATOM 867 CA GLU A 104 -10.986 2.112 5.927 1.00 0.30 C ATOM 868 C GLU A 104 -9.594 2.206 5.308 1.00 0.26 C ATOM 869 O GLU A 104 -8.635 2.623 5.956 1.00 0.30 O ATOM 870 CB GLU A 104 -11.472 0.666 5.883 1.00 0.39 C ATOM 871 CG GLU A 104 -10.659 -0.293 6.735 1.00 0.49 C ATOM 872 CD GLU A 104 -10.800 -0.025 8.221 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.850 0.515 8.634 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.859 -0.337 8.981 1.00 1.81 O ATOM 0 H GLU A 104 -12.725 2.446 4.837 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.935 2.451 6.962 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.511 0.634 6.212 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.454 0.320 4.849 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -10.973 -1.315 6.524 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.608 -0.218 6.455 1.00 0.49 H new ATOM 881 N PHE A 105 -9.510 1.849 4.033 1.00 0.22 N ATOM 882 CA PHE A 105 -8.249 1.867 3.309 1.00 0.20 C ATOM 883 C PHE A 105 -7.741 3.297 3.159 1.00 0.19 C ATOM 884 O PHE A 105 -6.531 3.541 3.159 1.00 0.16 O ATOM 885 CB PHE A 105 -8.423 1.210 1.939 1.00 0.21 C ATOM 886 CG PHE A 105 -7.136 1.081 1.175 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.037 0.475 1.758 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.021 1.571 -0.117 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.847 0.360 1.070 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.830 1.456 -0.811 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.742 0.851 -0.215 1.00 0.16 C ATOM 0 H PHE A 105 -10.308 1.541 3.477 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.510 1.301 3.876 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.860 0.220 2.071 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.130 1.795 1.350 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.112 0.088 2.763 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.869 2.047 -0.586 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.997 -0.115 1.538 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.752 1.839 -1.818 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.810 0.762 -0.754 1.00 0.16 H new ATOM 901 N CYS A 106 -8.672 4.237 3.028 1.00 0.27 N ATOM 902 CA CYS A 106 -8.333 5.659 3.012 1.00 0.27 C ATOM 903 C CYS A 106 -7.494 6.027 4.243 1.00 0.27 C ATOM 904 O CYS A 106 -6.470 6.702 4.126 1.00 0.28 O ATOM 905 CB CYS A 106 -9.606 6.510 2.959 1.00 0.29 C ATOM 906 SG CYS A 106 -9.311 8.285 2.800 1.00 0.59 S ATOM 0 H CYS A 106 -9.668 4.041 2.931 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.741 5.862 2.119 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.215 6.179 2.118 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.187 6.330 3.864 1.00 0.29 H new ATOM 0 HG CYS A 106 -8.112 8.565 3.217 1.00 0.59 H new ATOM 912 N ASN A 107 -7.928 5.564 5.417 1.00 0.28 N ATOM 913 CA ASN A 107 -7.170 5.762 6.660 1.00 0.30 C ATOM 914 C ASN A 107 -5.779 5.179 6.544 1.00 0.24 C ATOM 915 O ASN A 107 -4.791 5.856 6.815 1.00 0.23 O ATOM 916 CB ASN A 107 -7.864 5.094 7.842 1.00 0.37 C ATOM 917 CG ASN A 107 -8.947 5.957 8.462 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.684 6.734 9.382 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.168 5.836 7.969 1.00 0.64 N ATOM 0 H ASN A 107 -8.800 5.049 5.536 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.112 6.838 6.826 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.302 4.152 7.513 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.121 4.852 8.602 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.930 6.397 8.351 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.348 5.182 7.207 1.00 0.64 H new ATOM 926 N ILE A 108 -5.725 3.925 6.126 1.00 0.21 N ATOM 927 CA ILE A 108 -4.470 3.207 5.972 1.00 0.17 C ATOM 928 C ILE A 108 -3.489 4.028 5.150 1.00 0.12 C ATOM 929 O ILE A 108 -2.364 4.287 5.577 1.00 0.12 O ATOM 930 CB ILE A 108 -4.728 1.843 5.289 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.981 0.754 6.326 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.603 1.443 4.350 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.370 0.809 6.904 1.00 0.39 C ATOM 0 H ILE A 108 -6.550 3.376 5.884 1.00 0.21 H new ATOM 0 HA ILE A 108 -4.037 3.036 6.958 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.625 1.959 4.680 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.822 -0.222 5.867 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.253 0.850 7.132 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.833 0.479 3.897 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.496 2.195 3.569 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.671 1.367 4.910 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.491 0.010 7.636 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.524 1.773 7.390 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -7.102 0.684 6.106 1.00 0.39 H new ATOM 945 N LEU A 109 -3.954 4.466 3.997 1.00 0.12 N ATOM 946 CA LEU A 109 -3.150 5.261 3.091 1.00 0.12 C ATOM 947 C LEU A 109 -2.713 6.575 3.707 1.00 0.13 C ATOM 948 O LEU A 109 -1.523 6.879 3.738 1.00 0.13 O ATOM 949 CB LEU A 109 -3.939 5.525 1.830 1.00 0.15 C ATOM 950 CG LEU A 109 -3.793 4.448 0.781 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.863 4.592 -0.266 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.425 4.544 0.158 1.00 0.17 C ATOM 0 H LEU A 109 -4.899 4.281 3.662 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.246 4.696 2.865 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.993 5.628 2.087 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.620 6.477 1.406 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.905 3.469 1.247 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.746 3.810 -1.016 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.844 4.503 0.201 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.776 5.568 -0.743 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.315 3.768 -0.600 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.304 5.523 -0.305 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.665 4.410 0.927 1.00 0.17 H new ATOM 964 N SER A 110 -3.672 7.341 4.205 1.00 0.16 N ATOM 965 CA SER A 110 -3.381 8.649 4.776 1.00 0.20 C ATOM 966 C SER A 110 -2.336 8.539 5.877 1.00 0.19 C ATOM 967 O SER A 110 -1.444 9.376 6.001 1.00 0.22 O ATOM 968 CB SER A 110 -4.665 9.281 5.316 1.00 0.28 C ATOM 969 OG SER A 110 -5.285 8.469 6.306 1.00 1.18 O ATOM 0 H SER A 110 -4.658 7.080 4.226 1.00 0.16 H new ATOM 0 HA SER A 110 -2.977 9.288 3.991 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.437 10.259 5.740 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.362 9.445 4.494 1.00 0.28 H new ATOM 0 HG SER A 110 -4.925 7.559 6.255 1.00 1.18 H new ATOM 975 N ARG A 111 -2.449 7.480 6.656 1.00 0.18 N ATOM 976 CA ARG A 111 -1.574 7.260 7.785 1.00 0.19 C ATOM 977 C ARG A 111 -0.185 6.762 7.367 1.00 0.16 C ATOM 978 O ARG A 111 0.820 7.343 7.781 1.00 0.17 O ATOM 979 CB ARG A 111 -2.257 6.309 8.768 1.00 0.25 C ATOM 980 CG ARG A 111 -3.495 6.923 9.405 1.00 0.33 C ATOM 981 CD ARG A 111 -4.142 5.994 10.414 1.00 1.22 C ATOM 982 NE ARG A 111 -5.400 6.545 10.916 1.00 1.97 N ATOM 983 CZ ARG A 111 -5.998 6.144 12.035 1.00 2.79 C ATOM 984 NH1 ARG A 111 -5.438 5.208 12.791 1.00 3.10 N ATOM 985 NH2 ARG A 111 -7.155 6.687 12.400 1.00 3.73 N ATOM 0 H ARG A 111 -3.150 6.751 6.522 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.398 8.216 8.279 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.536 5.392 8.248 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.550 6.030 9.549 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.223 7.857 9.896 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.217 7.171 8.627 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.326 5.024 9.952 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.459 5.826 11.246 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.848 7.284 10.374 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.547 4.795 12.515 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -5.898 4.902 13.648 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.584 7.410 11.822 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -7.614 6.380 13.258 1.00 3.73 H new ATOM 999 N VAL A 112 -0.109 5.725 6.526 1.00 0.15 N ATOM 1000 CA VAL A 112 1.194 5.170 6.143 1.00 0.14 C ATOM 1001 C VAL A 112 1.957 6.120 5.228 1.00 0.14 C ATOM 1002 O VAL A 112 3.165 6.287 5.379 1.00 0.15 O ATOM 1003 CB VAL A 112 1.117 3.778 5.472 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.486 2.752 6.393 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.377 3.841 4.154 1.00 0.15 C ATOM 0 H VAL A 112 -0.914 5.261 6.105 1.00 0.15 H new ATOM 0 HA VAL A 112 1.727 5.046 7.086 1.00 0.14 H new ATOM 0 HB VAL A 112 2.140 3.461 5.269 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.448 1.786 5.890 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.081 2.664 7.302 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.525 3.067 6.650 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.341 2.847 3.709 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.638 4.200 4.324 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.894 4.522 3.478 1.00 0.15 H new ATOM 1015 N LEU A 113 1.254 6.749 4.290 1.00 0.15 N ATOM 1016 CA LEU A 113 1.873 7.680 3.378 1.00 0.16 C ATOM 1017 C LEU A 113 2.487 8.849 4.144 1.00 0.17 C ATOM 1018 O LEU A 113 3.631 9.222 3.907 1.00 0.20 O ATOM 1019 CB LEU A 113 0.826 8.151 2.364 1.00 0.16 C ATOM 1020 CG LEU A 113 0.887 9.616 1.984 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.112 9.873 1.127 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.381 10.031 1.257 1.00 0.27 C ATOM 0 H LEU A 113 0.252 6.624 4.149 1.00 0.15 H new ATOM 0 HA LEU A 113 2.684 7.191 2.839 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.932 7.555 1.457 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.164 7.941 2.769 1.00 0.16 H new ATOM 0 HG LEU A 113 0.964 10.216 2.891 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.152 10.928 0.856 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.009 9.608 1.686 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.056 9.268 0.222 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.319 11.086 0.992 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.493 9.435 0.351 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.242 9.870 1.906 1.00 0.27 H new ATOM 1034 N SER A 114 1.728 9.397 5.080 1.00 0.17 N ATOM 1035 CA SER A 114 2.190 10.514 5.887 1.00 0.21 C ATOM 1036 C SER A 114 3.369 10.097 6.761 1.00 0.18 C ATOM 1037 O SER A 114 4.337 10.845 6.917 1.00 0.20 O ATOM 1038 CB SER A 114 1.035 11.040 6.737 1.00 0.26 C ATOM 1039 OG SER A 114 1.466 12.023 7.665 1.00 1.06 O ATOM 0 H SER A 114 0.783 9.083 5.300 1.00 0.17 H new ATOM 0 HA SER A 114 2.535 11.312 5.230 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.270 11.465 6.087 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.573 10.212 7.274 1.00 0.26 H new ATOM 0 HG SER A 114 0.700 12.336 8.189 1.00 1.06 H new ATOM 1045 N ARG A 115 3.291 8.896 7.321 1.00 0.15 N ATOM 1046 CA ARG A 115 4.377 8.359 8.114 1.00 0.16 C ATOM 1047 C ARG A 115 5.644 8.198 7.282 1.00 0.15 C ATOM 1048 O ARG A 115 6.732 8.532 7.736 1.00 0.18 O ATOM 1049 CB ARG A 115 3.976 7.024 8.731 1.00 0.20 C ATOM 1050 CG ARG A 115 3.064 7.177 9.931 1.00 0.31 C ATOM 1051 CD ARG A 115 3.729 8.017 11.001 1.00 0.53 C ATOM 1052 NE ARG A 115 2.994 7.999 12.264 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.754 9.083 12.998 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.113 10.281 12.553 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.140 8.977 14.171 1.00 1.62 N ATOM 0 H ARG A 115 2.483 8.279 7.237 1.00 0.15 H new ATOM 0 HA ARG A 115 4.588 9.068 8.914 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.476 6.417 7.976 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.874 6.484 9.031 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.127 7.642 9.626 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.816 6.195 10.334 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.742 7.651 11.169 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.816 9.045 10.650 1.00 0.53 H new ATOM 0 HE ARG A 115 2.644 7.103 12.603 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.573 10.372 11.647 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.928 11.111 13.117 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.850 8.061 14.514 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.959 9.811 14.729 1.00 1.62 H new ATOM 1069 N ALA A 116 5.494 7.699 6.063 1.00 0.15 N ATOM 1070 CA ALA A 116 6.627 7.497 5.169 1.00 0.18 C ATOM 1071 C ALA A 116 7.157 8.823 4.634 1.00 0.21 C ATOM 1072 O ALA A 116 8.344 8.959 4.340 1.00 0.25 O ATOM 1073 CB ALA A 116 6.229 6.587 4.027 1.00 0.20 C ATOM 0 H ALA A 116 4.594 7.425 5.668 1.00 0.15 H new ATOM 0 HA ALA A 116 7.429 7.026 5.738 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.082 6.441 3.364 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.909 5.623 4.424 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.409 7.040 3.470 1.00 0.20 H new ATOM 1079 N ARG A 117 6.262 9.794 4.505 1.00 0.23 N ATOM 1080 CA ARG A 117 6.620 11.139 4.103 1.00 0.28 C ATOM 1081 C ARG A 117 7.470 11.791 5.195 1.00 0.29 C ATOM 1082 O ARG A 117 8.343 12.615 4.920 1.00 0.39 O ATOM 1083 CB ARG A 117 5.323 11.919 3.839 1.00 0.38 C ATOM 1084 CG ARG A 117 5.419 13.401 4.074 1.00 1.06 C ATOM 1085 CD ARG A 117 5.961 14.110 2.849 1.00 1.15 C ATOM 1086 NE ARG A 117 6.321 15.499 3.133 1.00 1.75 N ATOM 1087 CZ ARG A 117 6.115 16.509 2.289 1.00 2.25 C ATOM 1088 NH1 ARG A 117 5.500 16.301 1.133 1.00 2.33 N ATOM 1089 NH2 ARG A 117 6.506 17.734 2.612 1.00 2.99 N ATOM 0 H ARG A 117 5.265 9.666 4.678 1.00 0.23 H new ATOM 0 HA ARG A 117 7.216 11.133 3.191 1.00 0.28 H new ATOM 0 HB2 ARG A 117 5.017 11.748 2.807 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.536 11.515 4.476 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.435 13.798 4.323 1.00 1.06 H new ATOM 0 HG3 ARG A 117 6.067 13.596 4.928 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.837 13.577 2.480 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.214 14.084 2.055 1.00 1.15 H new ATOM 0 HE ARG A 117 6.756 15.707 4.032 1.00 1.75 H new ATOM 0 HH11 ARG A 117 5.182 15.364 0.886 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.345 17.078 0.491 1.00 2.33 H new ATOM 0 HH21 ARG A 117 6.965 17.904 3.507 1.00 2.99 H new ATOM 0 HH22 ARG A 117 6.348 18.507 1.965 1.00 2.99 H new ATOM 1103 N SER A 118 7.210 11.384 6.427 1.00 0.28 N ATOM 1104 CA SER A 118 7.936 11.876 7.586 1.00 0.33 C ATOM 1105 C SER A 118 9.211 11.072 7.793 1.00 0.32 C ATOM 1106 O SER A 118 10.303 11.618 7.948 1.00 0.41 O ATOM 1107 CB SER A 118 7.047 11.744 8.818 1.00 0.38 C ATOM 1108 OG SER A 118 7.489 12.559 9.891 1.00 0.62 O ATOM 0 H SER A 118 6.487 10.701 6.652 1.00 0.28 H new ATOM 0 HA SER A 118 8.204 12.920 7.426 1.00 0.33 H new ATOM 0 HB2 SER A 118 6.024 12.015 8.556 1.00 0.38 H new ATOM 0 HB3 SER A 118 7.028 10.703 9.140 1.00 0.38 H new ATOM 0 HG SER A 118 6.714 12.960 10.338 1.00 0.62 H new ATOM 1114 N ARG A 119 9.041 9.767 7.810 1.00 0.26 N ATOM 1115 CA ARG A 119 10.124 8.840 8.040 1.00 0.28 C ATOM 1116 C ARG A 119 10.412 7.988 6.803 1.00 0.26 C ATOM 1117 O ARG A 119 9.923 6.863 6.687 1.00 0.25 O ATOM 1118 CB ARG A 119 9.793 7.920 9.205 1.00 0.33 C ATOM 1119 CG ARG A 119 9.625 8.625 10.523 1.00 0.47 C ATOM 1120 CD ARG A 119 8.200 9.076 10.707 1.00 1.28 C ATOM 1121 NE ARG A 119 7.781 8.993 12.106 1.00 1.54 N ATOM 1122 CZ ARG A 119 7.206 9.984 12.792 1.00 2.39 C ATOM 1123 NH1 ARG A 119 7.012 11.176 12.233 1.00 3.26 N ATOM 1124 NH2 ARG A 119 6.838 9.786 14.053 1.00 2.60 N ATOM 0 H ARG A 119 8.137 9.317 7.663 1.00 0.26 H new ATOM 0 HA ARG A 119 11.010 9.431 8.270 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.875 7.379 8.976 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.585 7.177 9.302 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.909 7.958 11.337 1.00 0.47 H new ATOM 0 HG3 ARG A 119 10.293 9.485 10.569 1.00 0.47 H new ATOM 0 HD2 ARG A 119 8.095 10.103 10.356 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.542 8.461 10.093 1.00 1.28 H new ATOM 0 HE ARG A 119 7.940 8.112 12.594 1.00 1.54 H new ATOM 0 HH11 ARG A 119 7.304 11.341 11.270 1.00 3.26 H new ATOM 0 HH12 ARG A 119 6.572 11.925 12.768 1.00 3.26 H new ATOM 0 HH21 ARG A 119 6.995 8.880 14.494 1.00 2.60 H new ATOM 0 HH22 ARG A 119 6.399 10.540 14.580 1.00 2.60 H new ATOM 1138 N PRO A 120 11.219 8.507 5.872 1.00 0.29 N ATOM 1139 CA PRO A 120 11.676 7.765 4.688 1.00 0.30 C ATOM 1140 C PRO A 120 12.408 6.482 5.067 1.00 0.27 C ATOM 1141 O PRO A 120 12.420 5.504 4.320 1.00 0.28 O ATOM 1142 CB PRO A 120 12.647 8.741 4.017 1.00 0.37 C ATOM 1143 CG PRO A 120 12.997 9.720 5.079 1.00 0.38 C ATOM 1144 CD PRO A 120 11.750 9.867 5.884 1.00 0.35 C ATOM 0 HA PRO A 120 10.847 7.455 4.052 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.533 8.225 3.647 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.184 9.234 3.162 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.824 9.361 5.692 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.307 10.674 4.652 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.956 10.216 6.896 1.00 0.35 H new ATOM 0 HD3 PRO A 120 11.057 10.580 5.437 1.00 0.35 H new ATOM 1152 N ALA A 121 13.011 6.498 6.246 1.00 0.25 N ATOM 1153 CA ALA A 121 13.746 5.351 6.760 1.00 0.28 C ATOM 1154 C ALA A 121 12.824 4.171 7.052 1.00 0.27 C ATOM 1155 O ALA A 121 13.257 3.020 7.068 1.00 0.35 O ATOM 1156 CB ALA A 121 14.512 5.749 8.006 1.00 0.33 C ATOM 0 H ALA A 121 13.005 7.303 6.872 1.00 0.25 H new ATOM 0 HA ALA A 121 14.449 5.029 5.992 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.060 4.887 8.387 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.214 6.547 7.762 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.814 6.099 8.766 1.00 0.33 H new ATOM 1162 N LYS A 122 11.550 4.454 7.286 1.00 0.22 N ATOM 1163 CA LYS A 122 10.578 3.409 7.539 1.00 0.27 C ATOM 1164 C LYS A 122 9.576 3.317 6.405 1.00 0.19 C ATOM 1165 O LYS A 122 8.579 2.600 6.502 1.00 0.18 O ATOM 1166 CB LYS A 122 9.866 3.659 8.860 1.00 0.39 C ATOM 1167 CG LYS A 122 10.644 3.151 10.056 1.00 0.49 C ATOM 1168 CD LYS A 122 9.972 1.932 10.665 1.00 0.66 C ATOM 1169 CE LYS A 122 8.629 2.299 11.281 1.00 1.28 C ATOM 1170 NZ LYS A 122 8.035 1.182 12.063 1.00 1.79 N ATOM 0 H LYS A 122 11.169 5.400 7.305 1.00 0.22 H new ATOM 0 HA LYS A 122 11.107 2.458 7.602 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.690 4.729 8.975 1.00 0.39 H new ATOM 0 HB3 LYS A 122 8.889 3.176 8.837 1.00 0.39 H new ATOM 0 HG2 LYS A 122 11.660 2.897 9.752 1.00 0.49 H new ATOM 0 HG3 LYS A 122 10.723 3.939 10.805 1.00 0.49 H new ATOM 0 HD2 LYS A 122 9.828 1.171 9.898 1.00 0.66 H new ATOM 0 HD3 LYS A 122 10.619 1.499 11.427 1.00 0.66 H new ATOM 0 HE2 LYS A 122 8.756 3.165 11.930 1.00 1.28 H new ATOM 0 HE3 LYS A 122 7.938 2.592 10.490 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 7.123 1.483 12.461 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 7.887 0.362 11.440 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 8.679 0.918 12.836 1.00 1.79 H new ATOM 1184 N LEU A 123 9.868 4.037 5.327 1.00 0.17 N ATOM 1185 CA LEU A 123 9.049 4.033 4.133 1.00 0.14 C ATOM 1186 C LEU A 123 8.731 2.617 3.680 1.00 0.12 C ATOM 1187 O LEU A 123 7.601 2.321 3.310 1.00 0.12 O ATOM 1188 CB LEU A 123 9.789 4.763 3.029 1.00 0.16 C ATOM 1189 CG LEU A 123 9.196 4.616 1.640 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.974 5.496 1.478 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.245 4.954 0.620 1.00 0.21 C ATOM 0 H LEU A 123 10.687 4.642 5.263 1.00 0.17 H new ATOM 0 HA LEU A 123 8.106 4.532 4.358 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.826 5.823 3.279 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.818 4.405 3.006 1.00 0.16 H new ATOM 0 HG LEU A 123 8.874 3.585 1.493 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.567 5.373 0.474 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.221 5.211 2.212 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.253 6.538 1.631 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.826 4.851 -0.381 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.580 5.981 0.769 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.092 4.277 0.731 1.00 0.21 H new ATOM 1203 N TYR A 124 9.729 1.740 3.743 1.00 0.13 N ATOM 1204 CA TYR A 124 9.571 0.385 3.248 1.00 0.13 C ATOM 1205 C TYR A 124 8.572 -0.368 4.087 1.00 0.13 C ATOM 1206 O TYR A 124 7.741 -1.070 3.551 1.00 0.14 O ATOM 1207 CB TYR A 124 10.900 -0.351 3.224 1.00 0.14 C ATOM 1208 CG TYR A 124 11.837 0.133 2.156 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.734 1.165 2.392 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.830 -0.456 0.907 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.599 1.594 1.404 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.684 -0.044 -0.077 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.573 0.984 0.166 1.00 0.24 C ATOM 1214 OH TYR A 124 14.440 1.399 -0.820 1.00 0.31 O ATOM 0 H TYR A 124 10.650 1.946 4.131 1.00 0.13 H new ATOM 0 HA TYR A 124 9.200 0.444 2.225 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.383 -0.243 4.195 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.714 -1.415 3.077 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.756 1.640 3.362 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.136 -1.258 0.704 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.290 2.401 1.599 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.664 -0.523 -1.045 1.00 0.19 H new ATOM 0 HH TYR A 124 14.293 0.867 -1.630 1.00 0.31 H new ATOM 1224 N VAL A 125 8.640 -0.211 5.401 1.00 0.13 N ATOM 1225 CA VAL A 125 7.656 -0.832 6.275 1.00 0.14 C ATOM 1226 C VAL A 125 6.245 -0.395 5.906 1.00 0.12 C ATOM 1227 O VAL A 125 5.322 -1.199 5.919 1.00 0.14 O ATOM 1228 CB VAL A 125 7.943 -0.529 7.755 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.791 -0.982 8.647 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.239 -1.210 8.150 1.00 0.23 C ATOM 0 H VAL A 125 9.357 0.334 5.881 1.00 0.13 H new ATOM 0 HA VAL A 125 7.732 -1.910 6.134 1.00 0.14 H new ATOM 0 HB VAL A 125 8.042 0.548 7.889 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.025 -0.754 9.687 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.879 -0.460 8.357 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.645 -2.056 8.535 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.454 -1.003 9.198 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.143 -2.286 8.005 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.052 -0.831 7.531 1.00 0.23 H new ATOM 1240 N TYR A 126 6.089 0.867 5.539 1.00 0.11 N ATOM 1241 CA TYR A 126 4.792 1.379 5.125 1.00 0.11 C ATOM 1242 C TYR A 126 4.435 0.867 3.733 1.00 0.10 C ATOM 1243 O TYR A 126 3.274 0.598 3.441 1.00 0.11 O ATOM 1244 CB TYR A 126 4.802 2.902 5.190 1.00 0.12 C ATOM 1245 CG TYR A 126 5.197 3.400 6.560 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.661 2.813 7.695 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.120 4.426 6.724 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.024 3.230 8.955 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.491 4.851 7.989 1.00 0.20 C ATOM 1250 CZ TYR A 126 5.940 4.247 9.100 1.00 0.20 C ATOM 1251 OH TYR A 126 6.292 4.674 10.361 1.00 0.25 O ATOM 0 H TYR A 126 6.842 1.554 5.519 1.00 0.11 H new ATOM 0 HA TYR A 126 4.021 1.017 5.805 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.496 3.293 4.446 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.813 3.284 4.935 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.944 2.012 7.589 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.553 4.898 5.854 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.592 2.761 9.827 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.208 5.651 8.105 1.00 0.20 H new ATOM 0 HH TYR A 126 6.949 5.397 10.290 1.00 0.25 H new ATOM 1261 N ILE A 127 5.451 0.730 2.889 1.00 0.11 N ATOM 1262 CA ILE A 127 5.318 0.036 1.610 1.00 0.11 C ATOM 1263 C ILE A 127 4.819 -1.388 1.848 1.00 0.11 C ATOM 1264 O ILE A 127 3.842 -1.838 1.251 1.00 0.11 O ATOM 1265 CB ILE A 127 6.681 -0.006 0.874 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.058 1.393 0.393 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.650 -0.978 -0.290 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.543 1.591 0.188 1.00 0.11 C ATOM 0 H ILE A 127 6.387 1.094 3.069 1.00 0.11 H new ATOM 0 HA ILE A 127 4.601 0.575 0.991 1.00 0.11 H new ATOM 0 HB ILE A 127 7.437 -0.356 1.577 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.541 1.595 -0.545 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.701 2.124 1.118 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.621 -0.984 -0.785 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.424 -1.979 0.078 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.882 -0.671 -1.000 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.731 2.609 -0.154 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.066 1.422 1.129 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.904 0.885 -0.560 1.00 0.11 H new ATOM 1280 N ASN A 128 5.510 -2.072 2.750 1.00 0.12 N ATOM 1281 CA ASN A 128 5.180 -3.419 3.172 1.00 0.14 C ATOM 1282 C ASN A 128 3.758 -3.487 3.703 1.00 0.14 C ATOM 1283 O ASN A 128 2.957 -4.306 3.252 1.00 0.16 O ATOM 1284 CB ASN A 128 6.145 -3.858 4.281 1.00 0.20 C ATOM 1285 CG ASN A 128 7.558 -4.161 3.805 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.272 -4.937 4.427 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.976 -3.556 2.713 1.00 0.26 N ATOM 0 H ASN A 128 6.334 -1.693 3.217 1.00 0.12 H new ATOM 0 HA ASN A 128 5.267 -4.080 2.309 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.190 -3.074 5.037 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.741 -4.746 4.766 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.918 -3.729 2.363 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.357 -2.915 2.217 1.00 0.26 H new ATOM 1294 N GLU A 129 3.462 -2.629 4.678 1.00 0.13 N ATOM 1295 CA GLU A 129 2.140 -2.557 5.274 1.00 0.16 C ATOM 1296 C GLU A 129 1.086 -2.376 4.220 1.00 0.15 C ATOM 1297 O GLU A 129 0.239 -3.227 4.052 1.00 0.17 O ATOM 1298 CB GLU A 129 2.057 -1.408 6.269 1.00 0.23 C ATOM 1299 CG GLU A 129 2.776 -1.702 7.558 1.00 0.29 C ATOM 1300 CD GLU A 129 2.640 -0.596 8.581 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.531 -0.407 9.111 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.641 0.103 8.850 1.00 1.03 O ATOM 0 H GLU A 129 4.133 -1.969 5.072 1.00 0.13 H new ATOM 0 HA GLU A 129 1.965 -3.497 5.796 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.481 -0.511 5.818 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.010 -1.193 6.483 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.387 -2.629 7.980 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.833 -1.866 7.348 1.00 0.29 H new ATOM 1309 N LEU A 130 1.180 -1.282 3.496 1.00 0.14 N ATOM 1310 CA LEU A 130 0.234 -0.957 2.440 1.00 0.15 C ATOM 1311 C LEU A 130 0.033 -2.135 1.479 1.00 0.15 C ATOM 1312 O LEU A 130 -1.097 -2.470 1.132 1.00 0.18 O ATOM 1313 CB LEU A 130 0.760 0.263 1.699 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.244 1.014 0.841 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.525 1.277 1.618 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.385 2.319 0.391 1.00 0.12 C ATOM 0 H LEU A 130 1.916 -0.587 3.620 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.741 -0.743 2.877 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.171 0.957 2.432 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.586 -0.053 1.062 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.505 0.412 -0.029 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.230 1.816 0.985 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.965 0.328 1.926 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.299 1.876 2.500 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.324 2.871 -0.227 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.647 2.917 1.264 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.284 2.109 -0.188 1.00 0.12 H new ATOM 1328 N CYS A 131 1.127 -2.776 1.081 1.00 0.14 N ATOM 1329 CA CYS A 131 1.066 -3.926 0.180 1.00 0.17 C ATOM 1330 C CYS A 131 0.362 -5.118 0.839 1.00 0.18 C ATOM 1331 O CYS A 131 -0.444 -5.808 0.205 1.00 0.21 O ATOM 1332 CB CYS A 131 2.483 -4.324 -0.253 1.00 0.20 C ATOM 1333 SG CYS A 131 2.569 -5.810 -1.278 1.00 0.53 S ATOM 0 H CYS A 131 2.071 -2.519 1.369 1.00 0.14 H new ATOM 0 HA CYS A 131 0.485 -3.639 -0.696 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.927 -3.494 -0.802 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.091 -4.478 0.638 1.00 0.20 H new ATOM 0 HG CYS A 131 3.453 -5.640 -2.216 1.00 0.53 H new ATOM 1339 N THR A 132 0.664 -5.354 2.110 1.00 0.19 N ATOM 1340 CA THR A 132 0.057 -6.454 2.847 1.00 0.23 C ATOM 1341 C THR A 132 -1.392 -6.122 3.170 1.00 0.21 C ATOM 1342 O THR A 132 -2.276 -6.970 3.082 1.00 0.22 O ATOM 1343 CB THR A 132 0.822 -6.736 4.152 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.220 -6.874 3.871 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.307 -8.005 4.815 1.00 0.36 C ATOM 0 H THR A 132 1.326 -4.798 2.651 1.00 0.19 H new ATOM 0 HA THR A 132 0.101 -7.346 2.221 1.00 0.23 H new ATOM 0 HB THR A 132 0.665 -5.900 4.833 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.623 -5.986 3.773 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.862 -8.185 5.736 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.752 -7.891 5.046 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.442 -8.849 4.139 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.604 -4.864 3.508 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.913 -4.306 3.800 1.00 0.17 C ATOM 1355 C VAL A 133 -3.886 -4.608 2.671 1.00 0.18 C ATOM 1356 O VAL A 133 -5.047 -4.954 2.907 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.777 -2.775 4.004 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.072 -2.041 3.707 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.296 -2.461 5.418 1.00 0.18 C ATOM 0 H VAL A 133 -0.850 -4.182 3.590 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.304 -4.760 4.710 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.033 -2.420 3.291 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.928 -0.972 3.864 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.363 -2.220 2.672 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.856 -2.403 4.372 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.207 -1.382 5.541 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.013 -2.851 6.141 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.324 -2.926 5.583 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.387 -4.506 1.452 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.183 -4.788 0.276 1.00 0.20 C ATOM 1371 C LEU A 134 -4.699 -6.225 0.298 1.00 0.23 C ATOM 1372 O LEU A 134 -5.896 -6.455 0.239 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.340 -4.537 -0.976 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.870 -3.090 -1.130 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.879 -2.946 -2.266 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.055 -2.184 -1.358 1.00 0.20 C ATOM 0 H LEU A 134 -2.426 -4.228 1.252 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.049 -4.127 0.266 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.468 -5.191 -0.951 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.922 -4.815 -1.855 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.365 -2.801 -0.208 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.566 -1.905 -2.346 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.008 -3.572 -2.071 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.348 -3.257 -3.200 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.711 -1.155 -1.467 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.577 -2.490 -2.265 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.734 -2.252 -0.508 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.805 -7.185 0.459 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.191 -8.587 0.383 1.00 0.29 C ATOM 1390 C LYS A 135 -4.824 -9.086 1.669 1.00 0.30 C ATOM 1391 O LYS A 135 -5.640 -10.001 1.652 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.001 -9.448 0.003 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.769 -9.483 -1.493 1.00 0.38 C ATOM 1394 CD LYS A 135 -3.964 -10.077 -2.226 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.708 -10.138 -3.725 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.608 -11.102 -4.409 1.00 1.59 N ATOM 0 H LYS A 135 -2.815 -7.024 0.642 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.950 -8.667 -0.396 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.108 -9.067 0.498 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.159 -10.463 0.367 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.582 -8.473 -1.858 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -1.877 -10.071 -1.711 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.167 -11.079 -1.847 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.852 -9.476 -2.029 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.846 -9.146 -4.156 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -2.671 -10.422 -3.904 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.041 -11.767 -4.973 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.155 -11.629 -3.699 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.259 -10.586 -5.034 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.438 -8.493 2.782 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.969 -8.884 4.080 1.00 0.30 C ATOM 1412 C ALA A 136 -6.475 -8.690 4.139 1.00 0.31 C ATOM 1413 O ALA A 136 -7.175 -9.405 4.853 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.308 -8.088 5.194 1.00 0.33 C ATOM 0 H ALA A 136 -3.756 -7.735 2.817 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.749 -9.943 4.218 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.720 -8.396 6.155 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.234 -8.271 5.184 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.496 -7.025 5.043 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.977 -7.714 3.396 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.380 -7.382 3.472 1.00 0.35 C ATOM 1422 C HIS A 137 -9.091 -7.541 2.135 1.00 0.35 C ATOM 1423 O HIS A 137 -10.247 -7.962 2.086 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.545 -5.972 4.018 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.773 -5.741 5.284 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -6.598 -5.110 5.494 1.00 0.48 N flip ATOM 1427 CD2 HIS A 137 -8.155 -6.245 6.506 1.00 0.43 C flip ATOM 1428 CE1 HIS A 137 -6.287 -5.249 6.821 1.00 0.51 C flip ATOM 1429 NE2 HIS A 137 -7.243 -5.938 7.408 1.00 0.49 N flip ATOM 0 H HIS A 137 -6.436 -7.148 2.743 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.853 -8.089 4.154 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.219 -5.256 3.264 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.602 -5.781 4.203 1.00 0.39 H new ATOM 0 HD1 HIS A 137 -6.043 -4.619 4.793 1.00 0.48 H new ATOM 0 HD2 HIS A 137 -9.059 -6.804 6.697 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -5.404 -4.858 7.305 1.00 0.51 H new ATOM 1438 N SER A 138 -8.408 -7.221 1.054 1.00 0.31 N ATOM 1439 CA SER A 138 -9.004 -7.329 -0.267 1.00 0.33 C ATOM 1440 C SER A 138 -8.308 -8.346 -1.155 1.00 0.55 C ATOM 1441 O SER A 138 -7.085 -8.366 -1.299 1.00 1.05 O ATOM 1442 CB SER A 138 -9.066 -5.966 -0.944 1.00 0.38 C ATOM 1443 OG SER A 138 -7.813 -5.315 -0.955 1.00 1.00 O ATOM 0 H SER A 138 -7.445 -6.886 1.061 1.00 0.31 H new ATOM 0 HA SER A 138 -10.019 -7.697 -0.120 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.419 -6.087 -1.968 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.794 -5.340 -0.428 1.00 0.38 H new ATOM 0 HG SER A 138 -7.109 -5.957 -0.726 1.00 1.00 H new ATOM 1624 N SER B 27 4.538 -11.139 2.361 1.00 0.55 N ATOM 1625 CA SER B 27 3.702 -9.962 2.426 1.00 0.54 C ATOM 1626 C SER B 27 4.564 -8.713 2.427 1.00 0.44 C ATOM 1627 O SER B 27 4.643 -7.979 1.440 1.00 0.53 O ATOM 1628 CB SER B 27 2.847 -10.035 3.687 1.00 0.75 C ATOM 1629 OG SER B 27 3.622 -10.467 4.794 1.00 1.37 O ATOM 0 HA SER B 27 3.049 -9.918 1.554 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.417 -9.056 3.898 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.015 -10.721 3.529 1.00 0.75 H new ATOM 0 HG SER B 27 4.394 -10.979 4.473 1.00 1.37 H new ATOM 1635 N ASP B 28 5.220 -8.513 3.545 1.00 0.43 N ATOM 1636 CA ASP B 28 6.160 -7.422 3.724 1.00 0.37 C ATOM 1637 C ASP B 28 7.544 -7.832 3.230 1.00 0.33 C ATOM 1638 O ASP B 28 8.268 -7.042 2.623 1.00 0.31 O ATOM 1639 CB ASP B 28 6.206 -6.976 5.202 1.00 0.44 C ATOM 1640 CG ASP B 28 6.297 -8.121 6.202 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.633 -9.258 5.812 1.00 1.07 O ATOM 1642 OD2 ASP B 28 6.016 -7.883 7.393 1.00 1.83 O ATOM 0 H ASP B 28 5.118 -9.107 4.368 1.00 0.43 H new ATOM 0 HA ASP B 28 5.824 -6.571 3.131 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.063 -6.317 5.344 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.313 -6.390 5.420 1.00 0.44 H new ATOM 1647 N SER B 29 7.876 -9.092 3.445 1.00 0.36 N ATOM 1648 CA SER B 29 9.181 -9.624 3.093 1.00 0.34 C ATOM 1649 C SER B 29 9.423 -9.616 1.597 1.00 0.33 C ATOM 1650 O SER B 29 10.565 -9.620 1.148 1.00 0.34 O ATOM 1651 CB SER B 29 9.311 -11.031 3.634 1.00 0.39 C ATOM 1652 OG SER B 29 8.227 -11.846 3.215 1.00 1.07 O ATOM 0 H SER B 29 7.249 -9.776 3.869 1.00 0.36 H new ATOM 0 HA SER B 29 9.936 -8.978 3.541 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.250 -11.468 3.295 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.348 -11.002 4.723 1.00 0.39 H new ATOM 0 HG SER B 29 8.338 -12.750 3.578 1.00 1.07 H new ATOM 1658 N GLU B 30 8.341 -9.600 0.842 1.00 0.35 N ATOM 1659 CA GLU B 30 8.408 -9.552 -0.610 1.00 0.37 C ATOM 1660 C GLU B 30 9.228 -8.352 -1.065 1.00 0.34 C ATOM 1661 O GLU B 30 9.943 -8.411 -2.061 1.00 0.39 O ATOM 1662 CB GLU B 30 7.011 -9.475 -1.180 1.00 0.45 C ATOM 1663 CG GLU B 30 6.987 -9.604 -2.671 1.00 0.68 C ATOM 1664 CD GLU B 30 7.562 -10.910 -3.178 1.00 1.37 C ATOM 1665 OE1 GLU B 30 6.891 -11.953 -3.040 1.00 1.57 O ATOM 1666 OE2 GLU B 30 8.697 -10.905 -3.696 1.00 2.33 O ATOM 0 H GLU B 30 7.392 -9.620 1.215 1.00 0.35 H new ATOM 0 HA GLU B 30 8.894 -10.458 -0.972 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.400 -10.264 -0.741 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.558 -8.525 -0.894 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.958 -9.511 -3.018 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.547 -8.777 -3.108 1.00 0.68 H new ATOM 1673 N LEU B 31 9.130 -7.279 -0.309 1.00 0.28 N ATOM 1674 CA LEU B 31 9.900 -6.085 -0.566 1.00 0.24 C ATOM 1675 C LEU B 31 11.339 -6.325 -0.165 1.00 0.25 C ATOM 1676 O LEU B 31 12.279 -6.101 -0.926 1.00 0.26 O ATOM 1677 CB LEU B 31 9.380 -4.935 0.264 1.00 0.20 C ATOM 1678 CG LEU B 31 7.988 -4.394 -0.063 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.939 -3.762 -1.435 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.933 -5.466 0.075 1.00 0.24 C ATOM 0 H LEU B 31 8.513 -7.212 0.501 1.00 0.28 H new ATOM 0 HA LEU B 31 9.821 -5.845 -1.626 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.381 -5.248 1.308 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.089 -4.111 0.177 1.00 0.20 H new ATOM 0 HG LEU B 31 7.771 -3.613 0.666 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.933 -3.390 -1.629 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.647 -2.934 -1.480 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.202 -4.505 -2.188 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.955 -5.047 -0.165 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.155 -6.285 -0.609 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.926 -5.840 1.099 1.00 0.24 H new ATOM 1692 N GLU B 32 11.464 -6.799 1.064 1.00 0.26 N ATOM 1693 CA GLU B 32 12.753 -7.050 1.712 1.00 0.29 C ATOM 1694 C GLU B 32 13.667 -7.932 0.871 1.00 0.33 C ATOM 1695 O GLU B 32 14.885 -7.931 1.055 1.00 0.38 O ATOM 1696 CB GLU B 32 12.551 -7.723 3.067 1.00 0.29 C ATOM 1697 CG GLU B 32 11.444 -7.123 3.920 1.00 0.26 C ATOM 1698 CD GLU B 32 11.401 -7.739 5.305 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.097 -7.237 6.209 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.650 -8.718 5.506 1.00 0.59 O ATOM 0 H GLU B 32 10.663 -7.026 1.654 1.00 0.26 H new ATOM 0 HA GLU B 32 13.227 -6.076 1.835 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.333 -8.778 2.903 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.487 -7.674 3.624 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.595 -6.047 4.006 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.484 -7.272 3.426 1.00 0.26 H new ATOM 1707 N GLN B 33 13.064 -8.690 -0.029 1.00 0.35 N ATOM 1708 CA GLN B 33 13.796 -9.604 -0.905 1.00 0.40 C ATOM 1709 C GLN B 33 14.912 -8.881 -1.638 1.00 0.39 C ATOM 1710 O GLN B 33 16.039 -9.370 -1.721 1.00 0.48 O ATOM 1711 CB GLN B 33 12.859 -10.222 -1.930 1.00 0.43 C ATOM 1712 CG GLN B 33 11.659 -10.899 -1.323 1.00 0.47 C ATOM 1713 CD GLN B 33 12.020 -12.086 -0.459 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.141 -13.208 -0.947 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.175 -11.853 0.830 1.00 0.57 N ATOM 0 H GLN B 33 12.055 -8.693 -0.177 1.00 0.35 H new ATOM 0 HA GLN B 33 14.225 -10.385 -0.278 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.519 -9.444 -2.614 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.413 -10.949 -2.524 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.106 -10.176 -0.723 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.993 -11.227 -2.121 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.066 -10.906 1.194 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.404 -12.619 1.463 1.00 0.57 H new ATOM 1724 N TYR B 34 14.590 -7.710 -2.160 1.00 0.32 N ATOM 1725 CA TYR B 34 15.523 -6.976 -2.993 1.00 0.32 C ATOM 1726 C TYR B 34 15.821 -5.575 -2.460 1.00 0.30 C ATOM 1727 O TYR B 34 16.880 -5.019 -2.753 1.00 0.37 O ATOM 1728 CB TYR B 34 14.991 -6.895 -4.425 1.00 0.32 C ATOM 1729 CG TYR B 34 13.483 -6.960 -4.534 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.677 -6.056 -3.862 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.867 -7.925 -5.319 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.315 -6.106 -3.961 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.491 -7.981 -5.426 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.717 -7.069 -4.744 1.00 0.34 C ATOM 1735 OH TYR B 34 9.349 -7.118 -4.846 1.00 0.40 O ATOM 0 H TYR B 34 13.691 -7.249 -2.021 1.00 0.32 H new ATOM 0 HA TYR B 34 16.465 -7.524 -2.978 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.336 -5.965 -4.876 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.421 -7.710 -5.007 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.135 -5.295 -3.247 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.472 -8.642 -5.854 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.708 -5.391 -3.426 1.00 0.26 H new ATOM 0 HE2 TYR B 34 11.025 -8.736 -6.041 1.00 0.42 H new ATOM 0 HH TYR B 34 8.965 -6.284 -4.503 1.00 0.40 H new ATOM 1745 N PHE B 35 14.913 -4.994 -1.681 1.00 0.27 N ATOM 1746 CA PHE B 35 15.126 -3.637 -1.197 1.00 0.26 C ATOM 1747 C PHE B 35 14.511 -3.405 0.176 1.00 0.25 C ATOM 1748 O PHE B 35 13.451 -3.934 0.487 1.00 0.25 O ATOM 1749 CB PHE B 35 14.605 -2.597 -2.205 1.00 0.25 C ATOM 1750 CG PHE B 35 13.170 -2.739 -2.636 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.136 -2.716 -1.720 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.860 -2.865 -3.980 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.832 -2.819 -2.123 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.549 -2.973 -4.394 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.532 -2.951 -3.463 1.00 0.18 C ATOM 0 H PHE B 35 14.042 -5.431 -1.378 1.00 0.27 H new ATOM 0 HA PHE B 35 16.204 -3.511 -1.094 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.734 -1.606 -1.770 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.234 -2.639 -3.094 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.360 -2.615 -0.668 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.654 -2.879 -4.712 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.038 -2.797 -1.392 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.319 -3.075 -5.444 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.504 -3.037 -3.782 1.00 0.18 H new ATOM 1765 N THR B 36 15.212 -2.620 0.990 1.00 0.27 N ATOM 1766 CA THR B 36 14.730 -2.179 2.298 1.00 0.27 C ATOM 1767 C THR B 36 15.591 -1.025 2.816 1.00 0.32 C ATOM 1768 O THR B 36 16.420 -0.487 2.083 1.00 0.45 O ATOM 1769 CB THR B 36 14.709 -3.319 3.340 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.765 -4.253 3.077 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.367 -4.026 3.334 1.00 0.27 C ATOM 0 H THR B 36 16.141 -2.268 0.758 1.00 0.27 H new ATOM 0 HA THR B 36 13.702 -1.845 2.159 1.00 0.27 H new ATOM 0 HB THR B 36 14.863 -2.884 4.328 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.742 -4.970 3.745 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.374 -4.825 4.075 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.579 -3.313 3.576 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.183 -4.448 2.346 1.00 0.27 H new ATOM 1779 N ALA B 37 15.390 -0.643 4.072 1.00 0.32 N ATOM 1780 CA ALA B 37 16.131 0.467 4.660 1.00 0.35 C ATOM 1781 C ALA B 37 16.927 0.015 5.867 1.00 0.43 C ATOM 1782 O ALA B 37 17.304 -1.154 5.982 1.00 0.53 O ATOM 1783 CB ALA B 37 15.193 1.585 5.089 1.00 0.29 C ATOM 0 H ALA B 37 14.721 -1.085 4.702 1.00 0.32 H new ATOM 0 HA ALA B 37 16.812 0.836 3.893 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.772 2.399 5.524 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.645 1.953 4.222 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.489 1.205 5.829 1.00 0.29 H new ATOM 1789 N ARG B 38 17.182 0.970 6.752 1.00 0.44 N ATOM 1790 CA ARG B 38 17.799 0.710 8.040 1.00 0.52 C ATOM 1791 C ARG B 38 17.066 -0.401 8.787 1.00 0.56 C ATOM 1792 O ARG B 38 17.636 -1.449 9.074 1.00 0.67 O ATOM 1793 CB ARG B 38 17.820 2.004 8.869 1.00 0.57 C ATOM 1794 CG ARG B 38 16.486 2.733 8.948 1.00 0.67 C ATOM 1795 CD ARG B 38 15.855 2.572 10.316 1.00 0.93 C ATOM 1796 NE ARG B 38 16.598 3.254 11.371 1.00 1.60 N ATOM 1797 CZ ARG B 38 16.482 2.954 12.665 1.00 2.28 C ATOM 1798 NH1 ARG B 38 15.740 1.928 13.056 1.00 2.75 N ATOM 1799 NH2 ARG B 38 17.135 3.660 13.574 1.00 2.94 N ATOM 0 H ARG B 38 16.964 1.953 6.592 1.00 0.44 H new ATOM 0 HA ARG B 38 18.823 0.373 7.877 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.148 1.765 9.881 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.563 2.679 8.444 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.634 3.792 8.735 1.00 0.67 H new ATOM 0 HG3 ARG B 38 15.811 2.345 8.185 1.00 0.67 H new ATOM 0 HD2 ARG B 38 14.837 2.959 10.288 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.786 1.511 10.556 1.00 0.93 H new ATOM 0 HE ARG B 38 17.240 4.000 11.104 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.251 1.359 12.365 1.00 2.75 H new ATOM 0 HH12 ARG B 38 15.658 1.707 14.048 1.00 2.75 H new ATOM 0 HH21 ARG B 38 17.730 4.437 13.286 1.00 2.94 H new ATOM 0 HH22 ARG B 38 17.044 3.427 14.563 1.00 2.94 H new ATOM 1813 N TRP B 39 15.788 -0.162 9.046 1.00 0.54 N ATOM 1814 CA TRP B 39 14.931 -1.080 9.772 1.00 0.64 C ATOM 1815 C TRP B 39 15.535 -1.480 11.117 1.00 0.85 C ATOM 1816 O TRP B 39 15.409 -0.692 12.077 1.00 1.41 O ATOM 1817 CB TRP B 39 14.626 -2.307 8.917 1.00 0.60 C ATOM 1818 CG TRP B 39 13.743 -1.993 7.765 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.841 -0.928 6.936 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.624 -2.748 7.324 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.837 -0.960 6.001 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.079 -2.079 6.220 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.025 -3.926 7.758 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.964 -2.553 5.542 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.921 -4.389 7.082 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.401 -3.706 5.988 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.112 -2.585 11.216 1.00 1.45 O ATOM 0 H TRP B 39 15.312 0.691 8.751 1.00 0.54 H new ATOM 0 HA TRP B 39 13.995 -0.565 9.987 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.560 -2.731 8.549 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.152 -3.069 9.536 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.600 -0.163 7.001 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.682 -0.268 5.268 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.418 -4.465 8.607 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.559 -2.025 4.691 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.447 -5.303 7.408 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.532 -4.100 5.483 1.00 0.25 H new