USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 107 LYS NZ :NH3+ -172:sc=-0.00674 (180deg=-0.0793) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000439) USER MOD Set 2.1: A 56 THR OG1 : rot -150:sc= -0.171 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.126 X(o=-0.3,f=-0.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 66:sc= -1.54 USER MOD Single : A 12 SER OG : rot 180:sc= -0.338 USER MOD Single : A 13 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD Single : A 16 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.054) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-3.8!) USER MOD Single : A 38 GLN : amide:sc= -0.0888 K(o=-0.089,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.163 USER MOD Single : A 45 SER OG : rot 150:sc= -0.95 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -82:sc= 0.533 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00257 USER MOD Single : A 62 MET CE :methyl -179:sc= -2.23! (180deg=-2.25!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -111:sc= 0.399 USER MOD Single : A 72 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.15) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 75 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8) USER MOD Single : A 78 CYS SG : rot 60:sc= -3.61! USER MOD Single : A 87 ASN : amide:sc= -1.7 K(o=-1.7,f=-1.2!) USER MOD Single : A 88 HIS : no HE2:sc= 0.0675 X(o=0.067,f=-0.33) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 90 ASN : amide:sc= -0.897 K(o=-0.9,f=-3.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HE2:sc= -5.02! K(o=-5!,f=-2.6) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.27) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc=-0.00821 X(o=-0.0082,f=-0.19) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 29:sc= 0.181 USER MOD Single : A 118 THR OG1 : rot -82:sc= -0.0783 USER MOD Single : A 119 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.67) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.911 K(o=-0.91,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.037 -7.662 1.896 1.00 0.00 N ATOM 98 CA PRO A 6 8.769 -6.492 1.077 1.00 0.00 C ATOM 99 C PRO A 6 8.012 -6.876 -0.196 1.00 0.00 C ATOM 100 O PRO A 6 8.103 -8.012 -0.658 1.00 0.00 O ATOM 101 CB PRO A 6 10.134 -5.886 0.797 1.00 0.00 C ATOM 102 CG PRO A 6 11.144 -6.988 1.074 1.00 0.00 C ATOM 103 CD PRO A 6 10.430 -8.094 1.834 1.00 0.00 C ATOM 0 HA PRO A 6 8.122 -5.769 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.204 -5.542 -0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.315 -5.021 1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.557 -7.371 0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.980 -6.602 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.525 -9.051 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.849 -8.223 2.832 1.00 0.00 H new ATOM 111 N LYS A 7 7.283 -5.906 -0.728 1.00 0.00 N ATOM 112 CA LYS A 7 6.511 -6.128 -1.939 1.00 0.00 C ATOM 113 C LYS A 7 6.544 -4.863 -2.799 1.00 0.00 C ATOM 114 O LYS A 7 6.808 -3.772 -2.295 1.00 0.00 O ATOM 115 CB LYS A 7 5.098 -6.601 -1.595 1.00 0.00 C ATOM 116 CG LYS A 7 5.070 -8.110 -1.347 1.00 0.00 C ATOM 117 CD LYS A 7 5.181 -8.423 0.147 1.00 0.00 C ATOM 118 CE LYS A 7 3.798 -8.620 0.771 1.00 0.00 C ATOM 119 NZ LYS A 7 3.439 -10.056 0.790 1.00 0.00 N ATOM 0 H LYS A 7 7.211 -4.964 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 7 6.954 -6.928 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.741 -6.077 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.418 -6.350 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.145 -8.530 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.891 -8.586 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.780 -9.323 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.700 -7.610 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.791 -8.224 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.054 -8.060 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.498 -10.173 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.426 -10.424 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.140 -10.582 1.350 1.00 0.00 H new ATOM 133 N LEU A 8 6.273 -5.050 -4.082 1.00 0.00 N ATOM 134 CA LEU A 8 6.268 -3.938 -5.017 1.00 0.00 C ATOM 135 C LEU A 8 4.826 -3.625 -5.424 1.00 0.00 C ATOM 136 O LEU A 8 4.018 -4.535 -5.604 1.00 0.00 O ATOM 137 CB LEU A 8 7.192 -4.228 -6.201 1.00 0.00 C ATOM 138 CG LEU A 8 8.512 -4.926 -5.866 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.094 -5.619 -7.100 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.505 -3.948 -5.236 1.00 0.00 C ATOM 0 H LEU A 8 6.055 -5.956 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 8 6.668 -3.041 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.649 -4.845 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.418 -3.285 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 8 8.311 -5.701 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.032 -6.107 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.388 -6.364 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.278 -4.880 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.434 -4.470 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.707 -3.135 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.082 -3.541 -4.317 1.00 0.00 H new ATOM 152 N LEU A 9 4.549 -2.337 -5.556 1.00 0.00 N ATOM 153 CA LEU A 9 3.219 -1.893 -5.939 1.00 0.00 C ATOM 154 C LEU A 9 3.151 -1.753 -7.461 1.00 0.00 C ATOM 155 O LEU A 9 3.812 -0.891 -8.038 1.00 0.00 O ATOM 156 CB LEU A 9 2.843 -0.616 -5.186 1.00 0.00 C ATOM 157 CG LEU A 9 2.790 -0.727 -3.661 1.00 0.00 C ATOM 158 CD1 LEU A 9 1.942 -1.924 -3.227 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.199 -0.776 -3.066 1.00 0.00 C ATOM 0 H LEU A 9 5.222 -1.586 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 9 2.473 -2.635 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.560 0.162 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.867 -0.283 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 9 2.306 0.168 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.921 -1.980 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.926 -1.806 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.374 -2.841 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.133 -0.855 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.731 -1.641 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.738 0.133 -3.332 1.00 0.00 H new ATOM 171 N TYR A 10 2.345 -2.613 -8.067 1.00 0.00 N ATOM 172 CA TYR A 10 2.182 -2.595 -9.511 1.00 0.00 C ATOM 173 C TYR A 10 0.910 -1.846 -9.910 1.00 0.00 C ATOM 174 O TYR A 10 -0.196 -2.275 -9.582 1.00 0.00 O ATOM 175 CB TYR A 10 2.054 -4.059 -9.939 1.00 0.00 C ATOM 176 CG TYR A 10 1.908 -4.255 -11.449 1.00 0.00 C ATOM 177 CD1 TYR A 10 3.005 -4.106 -12.273 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.679 -4.581 -11.986 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.867 -4.291 -13.695 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.542 -4.766 -13.408 1.00 0.00 C ATOM 181 CZ TYR A 10 1.642 -4.612 -14.192 1.00 0.00 C ATOM 182 OH TYR A 10 1.512 -4.787 -15.534 1.00 0.00 O ATOM 0 H TYR A 10 1.798 -3.326 -7.585 1.00 0.00 H new ATOM 0 HA TYR A 10 3.025 -2.093 -9.986 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.932 -4.605 -9.595 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.190 -4.498 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.966 -3.851 -11.852 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.179 -4.697 -11.341 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.717 -4.177 -14.352 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.414 -5.021 -13.842 1.00 0.00 H new ATOM 0 HH TYR A 10 0.582 -5.014 -15.746 1.00 0.00 H new ATOM 192 N CYS A 11 1.108 -0.740 -10.612 1.00 0.00 N ATOM 193 CA CYS A 11 -0.011 0.073 -11.059 1.00 0.00 C ATOM 194 C CYS A 11 -0.465 -0.445 -12.425 1.00 0.00 C ATOM 195 O CYS A 11 0.004 0.028 -13.459 1.00 0.00 O ATOM 196 CB CYS A 11 0.352 1.559 -11.103 1.00 0.00 C ATOM 197 SG CYS A 11 -1.166 2.569 -11.251 1.00 0.00 S ATOM 0 H CYS A 11 2.026 -0.388 -10.882 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.833 -0.012 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.896 1.836 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.013 1.756 -11.947 1.00 0.00 H new ATOM 0 HG CYS A 11 -1.873 2.452 -10.166 1.00 0.00 H new ATOM 203 N SER A 12 -1.372 -1.410 -12.385 1.00 0.00 N ATOM 204 CA SER A 12 -1.895 -1.997 -13.607 1.00 0.00 C ATOM 205 C SER A 12 -2.061 -0.916 -14.677 1.00 0.00 C ATOM 206 O SER A 12 -1.921 -1.190 -15.868 1.00 0.00 O ATOM 207 CB SER A 12 -3.228 -2.702 -13.353 1.00 0.00 C ATOM 208 OG SER A 12 -4.173 -1.845 -12.717 1.00 0.00 O ATOM 0 H SER A 12 -1.758 -1.800 -11.525 1.00 0.00 H new ATOM 0 HA SER A 12 -1.183 -2.743 -13.960 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.638 -3.054 -14.300 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.060 -3.581 -12.731 1.00 0.00 H new ATOM 0 HG SER A 12 -5.011 -2.332 -12.573 1.00 0.00 H new ATOM 214 N ASN A 13 -2.359 0.289 -14.214 1.00 0.00 N ATOM 215 CA ASN A 13 -2.546 1.412 -15.116 1.00 0.00 C ATOM 216 C ASN A 13 -1.442 1.399 -16.176 1.00 0.00 C ATOM 217 O ASN A 13 -1.726 1.391 -17.373 1.00 0.00 O ATOM 218 CB ASN A 13 -2.464 2.743 -14.365 1.00 0.00 C ATOM 219 CG ASN A 13 -3.382 3.789 -15.000 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.147 3.511 -15.910 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.265 5.004 -14.471 1.00 0.00 N ATOM 0 H ASN A 13 -2.476 0.512 -13.226 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.531 1.316 -15.573 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.744 2.594 -13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.436 3.105 -14.371 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.836 5.772 -14.825 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.605 5.168 -13.711 1.00 0.00 H new ATOM 228 N GLY A 14 -0.207 1.397 -15.698 1.00 0.00 N ATOM 229 CA GLY A 14 0.941 1.385 -16.589 1.00 0.00 C ATOM 230 C GLY A 14 1.808 0.148 -16.349 1.00 0.00 C ATOM 231 O GLY A 14 2.407 -0.385 -17.282 1.00 0.00 O ATOM 0 H GLY A 14 0.024 1.403 -14.705 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.602 1.401 -17.625 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.535 2.286 -16.434 1.00 0.00 H new ATOM 235 N GLY A 15 1.849 -0.272 -15.093 1.00 0.00 N ATOM 236 CA GLY A 15 2.633 -1.436 -14.718 1.00 0.00 C ATOM 237 C GLY A 15 4.028 -1.027 -14.241 1.00 0.00 C ATOM 238 O GLY A 15 5.033 -1.475 -14.791 1.00 0.00 O ATOM 0 H GLY A 15 1.352 0.173 -14.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.121 -1.985 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.719 -2.111 -15.570 1.00 0.00 H new ATOM 242 N HIS A 16 4.045 -0.180 -13.222 1.00 0.00 N ATOM 243 CA HIS A 16 5.300 0.295 -12.664 1.00 0.00 C ATOM 244 C HIS A 16 5.347 -0.019 -11.167 1.00 0.00 C ATOM 245 O HIS A 16 4.323 -0.332 -10.562 1.00 0.00 O ATOM 246 CB HIS A 16 5.500 1.781 -12.965 1.00 0.00 C ATOM 247 CG HIS A 16 5.650 2.096 -14.434 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.581 2.460 -15.236 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.752 2.099 -15.237 1.00 0.00 C ATOM 250 CE1 HIS A 16 5.032 2.669 -16.464 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.378 2.444 -16.463 1.00 0.00 N ATOM 0 H HIS A 16 3.210 0.190 -12.768 1.00 0.00 H new ATOM 0 HA HIS A 16 6.133 -0.227 -13.136 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.651 2.339 -12.569 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.386 2.132 -12.436 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.759 1.861 -14.928 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.439 2.965 -17.316 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.995 2.527 -17.271 1.00 0.00 H new ATOM 259 N PHE A 17 6.547 0.076 -10.613 1.00 0.00 N ATOM 260 CA PHE A 17 6.742 -0.194 -9.199 1.00 0.00 C ATOM 261 C PHE A 17 7.007 1.099 -8.425 1.00 0.00 C ATOM 262 O PHE A 17 7.688 1.995 -8.922 1.00 0.00 O ATOM 263 CB PHE A 17 7.965 -1.105 -9.082 1.00 0.00 C ATOM 264 CG PHE A 17 7.717 -2.543 -9.540 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.553 -3.168 -9.218 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.660 -3.196 -10.271 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.323 -4.503 -9.644 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.430 -4.531 -10.697 1.00 0.00 C ATOM 269 CZ PHE A 17 7.266 -5.156 -10.374 1.00 0.00 C ATOM 0 H PHE A 17 7.394 0.336 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 17 5.848 -0.658 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.778 -0.682 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.298 -1.118 -8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.804 -2.649 -8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.584 -2.699 -10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.399 -5.000 -9.388 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.179 -5.050 -11.277 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.091 -6.171 -10.698 1.00 0.00 H new ATOM 279 N LEU A 18 6.455 1.155 -7.222 1.00 0.00 N ATOM 280 CA LEU A 18 6.623 2.324 -6.375 1.00 0.00 C ATOM 281 C LEU A 18 8.007 2.282 -5.724 1.00 0.00 C ATOM 282 O LEU A 18 8.277 1.421 -4.888 1.00 0.00 O ATOM 283 CB LEU A 18 5.474 2.428 -5.371 1.00 0.00 C ATOM 284 CG LEU A 18 5.268 3.800 -4.726 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.558 4.756 -5.687 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.529 3.674 -3.393 1.00 0.00 C ATOM 0 H LEU A 18 5.891 0.410 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 18 6.578 3.236 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.551 2.143 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.643 1.698 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 18 6.248 4.227 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.424 5.724 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.160 4.880 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.584 4.346 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.396 4.664 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.554 3.217 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.110 3.052 -2.712 1.00 0.00 H new ATOM 298 N ARG A 19 8.847 3.221 -6.133 1.00 0.00 N ATOM 299 CA ARG A 19 10.196 3.302 -5.600 1.00 0.00 C ATOM 300 C ARG A 19 10.385 4.610 -4.830 1.00 0.00 C ATOM 301 O ARG A 19 9.761 5.619 -5.151 1.00 0.00 O ATOM 302 CB ARG A 19 11.236 3.222 -6.719 1.00 0.00 C ATOM 303 CG ARG A 19 11.496 4.603 -7.325 1.00 0.00 C ATOM 304 CD ARG A 19 12.201 4.484 -8.679 1.00 0.00 C ATOM 305 NE ARG A 19 13.662 4.365 -8.480 1.00 0.00 N ATOM 306 CZ ARG A 19 14.572 4.591 -9.438 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.175 4.949 -10.667 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.877 4.460 -9.166 1.00 0.00 N ATOM 0 H ARG A 19 8.619 3.932 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 19 10.338 2.457 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.167 2.812 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.889 2.540 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.552 5.134 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.108 5.194 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.827 3.613 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.979 5.358 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 19 13.998 4.094 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.181 5.049 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.867 5.121 -11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.178 4.188 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.570 4.632 -9.895 1.00 0.00 H new ATOM 322 N ILE A 20 11.250 4.550 -3.827 1.00 0.00 N ATOM 323 CA ILE A 20 11.529 5.717 -3.009 1.00 0.00 C ATOM 324 C ILE A 20 13.035 5.984 -3.006 1.00 0.00 C ATOM 325 O ILE A 20 13.816 5.154 -2.542 1.00 0.00 O ATOM 326 CB ILE A 20 10.932 5.546 -1.610 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.477 5.080 -1.688 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.080 6.829 -0.790 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.871 4.938 -0.291 1.00 0.00 C ATOM 0 H ILE A 20 11.766 3.711 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 20 11.049 6.601 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 20 11.492 4.767 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.894 5.793 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.425 4.124 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.648 6.680 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.137 7.078 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.561 7.645 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.836 4.606 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.442 4.206 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.902 5.901 0.219 1.00 0.00 H new ATOM 341 N LEU A 21 13.399 7.146 -3.529 1.00 0.00 N ATOM 342 CA LEU A 21 14.798 7.533 -3.593 1.00 0.00 C ATOM 343 C LEU A 21 15.217 8.139 -2.252 1.00 0.00 C ATOM 344 O LEU A 21 14.378 8.637 -1.503 1.00 0.00 O ATOM 345 CB LEU A 21 15.045 8.456 -4.788 1.00 0.00 C ATOM 346 CG LEU A 21 14.394 8.033 -6.107 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.650 9.071 -7.202 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.856 6.636 -6.523 1.00 0.00 C ATOM 0 H LEU A 21 12.749 7.832 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 21 15.427 6.659 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.687 9.453 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.121 8.534 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 21 13.316 7.984 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.177 8.746 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.232 10.031 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.723 9.176 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.379 6.360 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.938 6.634 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.581 5.917 -5.751 1.00 0.00 H new ATOM 360 N PRO A 22 16.548 8.075 -1.983 1.00 0.00 N ATOM 361 CA PRO A 22 17.088 8.611 -0.745 1.00 0.00 C ATOM 362 C PRO A 22 17.135 10.140 -0.784 1.00 0.00 C ATOM 363 O PRO A 22 17.522 10.778 0.194 1.00 0.00 O ATOM 364 CB PRO A 22 18.464 7.979 -0.610 1.00 0.00 C ATOM 365 CG PRO A 22 18.831 7.479 -1.997 1.00 0.00 C ATOM 366 CD PRO A 22 17.571 7.493 -2.847 1.00 0.00 C ATOM 0 HA PRO A 22 16.469 8.375 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.194 8.705 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.449 7.160 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.598 8.114 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.243 6.472 -1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.710 8.086 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.296 6.487 -3.164 1.00 0.00 H new ATOM 374 N ASP A 23 16.734 10.684 -1.924 1.00 0.00 N ATOM 375 CA ASP A 23 16.724 12.126 -2.103 1.00 0.00 C ATOM 376 C ASP A 23 15.325 12.664 -1.798 1.00 0.00 C ATOM 377 O ASP A 23 15.073 13.860 -1.936 1.00 0.00 O ATOM 378 CB ASP A 23 17.073 12.504 -3.544 1.00 0.00 C ATOM 379 CG ASP A 23 17.275 14.000 -3.789 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.216 14.553 -3.179 1.00 0.00 O ATOM 381 OD2 ASP A 23 16.484 14.558 -4.579 1.00 0.00 O ATOM 0 H ASP A 23 16.414 10.152 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 23 17.465 12.555 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.983 11.978 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.279 12.148 -4.200 1.00 0.00 H new ATOM 386 N GLY A 24 14.452 11.755 -1.390 1.00 0.00 N ATOM 387 CA GLY A 24 13.085 12.124 -1.064 1.00 0.00 C ATOM 388 C GLY A 24 12.237 12.258 -2.331 1.00 0.00 C ATOM 389 O GLY A 24 11.481 13.217 -2.477 1.00 0.00 O ATOM 0 H GLY A 24 14.665 10.764 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.648 11.372 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.079 13.067 -0.517 1.00 0.00 H new ATOM 393 N THR A 25 12.391 11.282 -3.214 1.00 0.00 N ATOM 394 CA THR A 25 11.649 11.280 -4.463 1.00 0.00 C ATOM 395 C THR A 25 10.868 9.973 -4.616 1.00 0.00 C ATOM 396 O THR A 25 11.310 8.923 -4.153 1.00 0.00 O ATOM 397 CB THR A 25 12.639 11.532 -5.602 1.00 0.00 C ATOM 398 OG1 THR A 25 12.888 12.934 -5.541 1.00 0.00 O ATOM 399 CG2 THR A 25 12.011 11.325 -6.981 1.00 0.00 C ATOM 0 H THR A 25 13.018 10.488 -3.089 1.00 0.00 H new ATOM 0 HA THR A 25 10.902 12.074 -4.481 1.00 0.00 H new ATOM 0 HB THR A 25 13.496 10.868 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.522 13.185 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.756 11.517 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.654 10.299 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.174 12.012 -7.106 1.00 0.00 H new ATOM 407 N VAL A 26 9.719 10.081 -5.268 1.00 0.00 N ATOM 408 CA VAL A 26 8.871 8.922 -5.488 1.00 0.00 C ATOM 409 C VAL A 26 8.437 8.883 -6.954 1.00 0.00 C ATOM 410 O VAL A 26 7.792 9.812 -7.439 1.00 0.00 O ATOM 411 CB VAL A 26 7.691 8.944 -4.515 1.00 0.00 C ATOM 412 CG1 VAL A 26 6.973 7.593 -4.492 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.145 9.348 -3.111 1.00 0.00 C ATOM 0 H VAL A 26 9.356 10.954 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 26 9.422 8.003 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 26 6.982 9.694 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.138 7.636 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.599 7.363 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.670 6.816 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.287 9.356 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.884 8.633 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.589 10.343 -3.144 1.00 0.00 H new ATOM 423 N ASP A 27 8.809 7.800 -7.620 1.00 0.00 N ATOM 424 CA ASP A 27 8.465 7.628 -9.021 1.00 0.00 C ATOM 425 C ASP A 27 8.216 6.145 -9.303 1.00 0.00 C ATOM 426 O ASP A 27 8.640 5.284 -8.535 1.00 0.00 O ATOM 427 CB ASP A 27 9.605 8.097 -9.929 1.00 0.00 C ATOM 428 CG ASP A 27 10.436 9.257 -9.377 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.957 10.405 -9.498 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.530 8.969 -8.846 1.00 0.00 O ATOM 0 H ASP A 27 9.345 7.033 -7.215 1.00 0.00 H new ATOM 0 HA ASP A 27 7.573 8.221 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.268 7.253 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.185 8.396 -10.889 1.00 0.00 H new ATOM 435 N GLY A 28 7.528 5.893 -10.407 1.00 0.00 N ATOM 436 CA GLY A 28 7.216 4.530 -10.800 1.00 0.00 C ATOM 437 C GLY A 28 8.242 4.001 -11.804 1.00 0.00 C ATOM 438 O GLY A 28 8.629 4.708 -12.733 1.00 0.00 O ATOM 0 H GLY A 28 7.178 6.610 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.200 3.888 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.219 4.493 -11.240 1.00 0.00 H new ATOM 442 N THR A 29 8.653 2.760 -11.584 1.00 0.00 N ATOM 443 CA THR A 29 9.626 2.128 -12.459 1.00 0.00 C ATOM 444 C THR A 29 9.248 0.668 -12.711 1.00 0.00 C ATOM 445 O THR A 29 8.805 -0.029 -11.799 1.00 0.00 O ATOM 446 CB THR A 29 11.010 2.297 -11.827 1.00 0.00 C ATOM 447 OG1 THR A 29 11.914 2.075 -12.906 1.00 0.00 O ATOM 448 CG2 THR A 29 11.338 1.183 -10.830 1.00 0.00 C ATOM 0 H THR A 29 8.330 2.176 -10.813 1.00 0.00 H new ATOM 0 HA THR A 29 9.641 2.601 -13.441 1.00 0.00 H new ATOM 0 HB THR A 29 11.064 3.262 -11.323 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.835 2.167 -12.585 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.330 1.350 -10.411 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.600 1.184 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.317 0.220 -11.341 1.00 0.00 H new ATOM 456 N ARG A 30 9.435 0.247 -13.953 1.00 0.00 N ATOM 457 CA ARG A 30 9.118 -1.118 -14.337 1.00 0.00 C ATOM 458 C ARG A 30 10.401 -1.896 -14.638 1.00 0.00 C ATOM 459 O ARG A 30 10.496 -2.570 -15.663 1.00 0.00 O ATOM 460 CB ARG A 30 8.211 -1.148 -15.568 1.00 0.00 C ATOM 461 CG ARG A 30 7.682 -2.561 -15.826 1.00 0.00 C ATOM 462 CD ARG A 30 7.358 -2.763 -17.307 1.00 0.00 C ATOM 463 NE ARG A 30 7.462 -4.197 -17.657 1.00 0.00 N ATOM 464 CZ ARG A 30 8.622 -4.855 -17.790 1.00 0.00 C ATOM 465 NH1 ARG A 30 9.782 -4.212 -17.604 1.00 0.00 N ATOM 466 NH2 ARG A 30 8.621 -6.156 -18.110 1.00 0.00 N ATOM 0 H ARG A 30 9.802 0.828 -14.707 1.00 0.00 H new ATOM 0 HA ARG A 30 8.594 -1.584 -13.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.375 -0.463 -15.425 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.764 -0.798 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.424 -3.294 -15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.787 -2.733 -15.228 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.353 -2.400 -17.521 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.044 -2.180 -17.921 1.00 0.00 H new ATOM 0 HE ARG A 30 6.597 -4.717 -17.806 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.783 -3.221 -17.361 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.665 -4.713 -17.705 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.738 -6.645 -18.252 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.504 -6.657 -18.211 1.00 0.00 H new ATOM 480 N ASP A 31 11.356 -1.776 -13.728 1.00 0.00 N ATOM 481 CA ASP A 31 12.629 -2.459 -13.883 1.00 0.00 C ATOM 482 C ASP A 31 13.038 -3.078 -12.545 1.00 0.00 C ATOM 483 O ASP A 31 13.564 -2.388 -11.673 1.00 0.00 O ATOM 484 CB ASP A 31 13.728 -1.485 -14.310 1.00 0.00 C ATOM 485 CG ASP A 31 14.828 -2.092 -15.184 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.486 -2.530 -16.304 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.985 -2.106 -14.712 1.00 0.00 O ATOM 0 H ASP A 31 11.274 -1.215 -12.880 1.00 0.00 H new ATOM 0 HA ASP A 31 12.509 -3.225 -14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.269 -0.658 -14.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.187 -1.064 -13.415 1.00 0.00 H new ATOM 492 N ARG A 32 12.781 -4.372 -12.424 1.00 0.00 N ATOM 493 CA ARG A 32 13.116 -5.091 -11.207 1.00 0.00 C ATOM 494 C ARG A 32 14.581 -4.853 -10.836 1.00 0.00 C ATOM 495 O ARG A 32 14.942 -4.896 -9.661 1.00 0.00 O ATOM 496 CB ARG A 32 12.877 -6.593 -11.371 1.00 0.00 C ATOM 497 CG ARG A 32 11.393 -6.932 -11.217 1.00 0.00 C ATOM 498 CD ARG A 32 11.199 -8.144 -10.303 1.00 0.00 C ATOM 499 NE ARG A 32 11.782 -9.350 -10.932 1.00 0.00 N ATOM 500 CZ ARG A 32 11.465 -10.606 -10.586 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.569 -10.827 -9.615 1.00 0.00 N ATOM 502 NH2 ARG A 32 12.045 -11.639 -11.211 1.00 0.00 N ATOM 0 H ARG A 32 12.344 -4.941 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 32 12.471 -4.716 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.228 -6.916 -12.351 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.458 -7.140 -10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.861 -6.074 -10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.960 -7.137 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.672 -7.962 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.137 -8.300 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 32 12.468 -9.217 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.128 -10.040 -9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.328 -11.782 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.728 -11.470 -11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.804 -12.595 -10.948 1.00 0.00 H new ATOM 516 N SER A 33 15.385 -4.605 -11.859 1.00 0.00 N ATOM 517 CA SER A 33 16.802 -4.360 -11.655 1.00 0.00 C ATOM 518 C SER A 33 17.008 -3.469 -10.428 1.00 0.00 C ATOM 519 O SER A 33 17.827 -3.777 -9.564 1.00 0.00 O ATOM 520 CB SER A 33 17.433 -3.714 -12.891 1.00 0.00 C ATOM 521 OG SER A 33 18.749 -4.204 -13.136 1.00 0.00 O ATOM 0 H SER A 33 15.082 -4.568 -12.832 1.00 0.00 H new ATOM 0 HA SER A 33 17.294 -5.318 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.806 -3.908 -13.761 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.468 -2.633 -12.757 1.00 0.00 H new ATOM 0 HG SER A 33 19.117 -3.769 -13.934 1.00 0.00 H new ATOM 527 N ASP A 34 16.249 -2.383 -10.391 1.00 0.00 N ATOM 528 CA ASP A 34 16.338 -1.446 -9.284 1.00 0.00 C ATOM 529 C ASP A 34 16.023 -2.176 -7.977 1.00 0.00 C ATOM 530 O ASP A 34 15.191 -3.082 -7.952 1.00 0.00 O ATOM 531 CB ASP A 34 15.329 -0.307 -9.444 1.00 0.00 C ATOM 532 CG ASP A 34 15.904 1.097 -9.252 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.102 1.474 -8.077 1.00 0.00 O ATOM 534 OD2 ASP A 34 16.132 1.763 -10.286 1.00 0.00 O ATOM 0 H ASP A 34 15.570 -2.131 -11.110 1.00 0.00 H new ATOM 0 HA ASP A 34 17.347 -1.035 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.888 -0.370 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.521 -0.454 -8.727 1.00 0.00 H new ATOM 539 N GLN A 35 16.705 -1.755 -6.922 1.00 0.00 N ATOM 540 CA GLN A 35 16.508 -2.358 -5.614 1.00 0.00 C ATOM 541 C GLN A 35 15.717 -1.412 -4.708 1.00 0.00 C ATOM 542 O GLN A 35 14.848 -1.850 -3.956 1.00 0.00 O ATOM 543 CB GLN A 35 17.847 -2.736 -4.977 1.00 0.00 C ATOM 544 CG GLN A 35 18.510 -3.887 -5.737 1.00 0.00 C ATOM 545 CD GLN A 35 18.120 -5.238 -5.133 1.00 0.00 C ATOM 546 OE1 GLN A 35 17.188 -5.894 -5.566 1.00 0.00 O ATOM 547 NE2 GLN A 35 18.885 -5.615 -4.112 1.00 0.00 N ATOM 0 H GLN A 35 17.395 -1.004 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 35 15.932 -3.275 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.509 -1.870 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.691 -3.024 -3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.214 -3.854 -6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.593 -3.771 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.650 -5.017 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.707 -6.502 -3.641 1.00 0.00 H new ATOM 556 N HIS A 36 16.047 -0.133 -4.809 1.00 0.00 N ATOM 557 CA HIS A 36 15.378 0.878 -4.008 1.00 0.00 C ATOM 558 C HIS A 36 13.866 0.653 -4.056 1.00 0.00 C ATOM 559 O HIS A 36 13.154 0.994 -3.112 1.00 0.00 O ATOM 560 CB HIS A 36 15.784 2.283 -4.457 1.00 0.00 C ATOM 561 CG HIS A 36 17.189 2.673 -4.062 1.00 0.00 C ATOM 562 ND1 HIS A 36 18.312 2.051 -4.578 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.639 3.626 -3.197 1.00 0.00 C ATOM 564 CE1 HIS A 36 19.385 2.613 -4.041 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.966 3.588 -3.185 1.00 0.00 N ATOM 0 H HIS A 36 16.769 0.226 -5.433 1.00 0.00 H new ATOM 0 HA HIS A 36 15.690 0.788 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.691 2.348 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.085 3.005 -4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.021 4.298 -2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.411 2.346 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.572 4.189 -2.627 1.00 0.00 H new ATOM 573 N ILE A 37 13.420 0.082 -5.165 1.00 0.00 N ATOM 574 CA ILE A 37 12.005 -0.192 -5.349 1.00 0.00 C ATOM 575 C ILE A 37 11.511 -1.088 -4.211 1.00 0.00 C ATOM 576 O ILE A 37 10.414 -0.890 -3.692 1.00 0.00 O ATOM 577 CB ILE A 37 11.748 -0.770 -6.742 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.694 -1.935 -7.036 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.832 0.321 -7.812 1.00 0.00 C ATOM 580 CD1 ILE A 37 12.178 -2.780 -8.203 1.00 0.00 C ATOM 0 H ILE A 37 14.014 -0.199 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 37 11.429 0.732 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 37 10.733 -1.167 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.687 -1.551 -7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.796 -2.559 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.646 -0.116 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.085 1.088 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.826 0.769 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.869 -3.601 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.196 -3.182 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.101 -2.159 -9.096 1.00 0.00 H new ATOM 592 N GLN A 38 12.346 -2.054 -3.857 1.00 0.00 N ATOM 593 CA GLN A 38 12.008 -2.981 -2.790 1.00 0.00 C ATOM 594 C GLN A 38 11.458 -2.221 -1.581 1.00 0.00 C ATOM 595 O GLN A 38 12.220 -1.645 -0.807 1.00 0.00 O ATOM 596 CB GLN A 38 13.218 -3.832 -2.399 1.00 0.00 C ATOM 597 CG GLN A 38 13.391 -5.011 -3.358 1.00 0.00 C ATOM 598 CD GLN A 38 14.164 -6.151 -2.690 1.00 0.00 C ATOM 599 OE1 GLN A 38 14.407 -6.154 -1.495 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.534 -7.117 -3.527 1.00 0.00 N ATOM 0 H GLN A 38 13.255 -2.215 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 38 11.233 -3.656 -3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.118 -3.217 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.094 -4.202 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.413 -5.369 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.921 -4.683 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.298 -7.052 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.054 -7.922 -3.178 1.00 0.00 H new ATOM 609 N LEU A 39 10.139 -2.245 -1.457 1.00 0.00 N ATOM 610 CA LEU A 39 9.479 -1.566 -0.355 1.00 0.00 C ATOM 611 C LEU A 39 8.973 -2.604 0.648 1.00 0.00 C ATOM 612 O LEU A 39 8.596 -3.711 0.266 1.00 0.00 O ATOM 613 CB LEU A 39 8.385 -0.633 -0.880 1.00 0.00 C ATOM 614 CG LEU A 39 8.855 0.728 -1.397 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.667 1.598 -1.810 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.748 1.426 -0.369 1.00 0.00 C ATOM 0 H LEU A 39 9.510 -2.724 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 39 10.184 -0.927 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.856 -1.143 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.663 -0.466 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 39 9.459 0.565 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.029 2.560 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.108 1.098 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.016 1.757 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.068 2.391 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.190 1.577 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.623 0.808 -0.167 1.00 0.00 H new ATOM 628 N GLN A 40 8.980 -2.210 1.913 1.00 0.00 N ATOM 629 CA GLN A 40 8.526 -3.092 2.975 1.00 0.00 C ATOM 630 C GLN A 40 7.145 -2.659 3.471 1.00 0.00 C ATOM 631 O GLN A 40 6.995 -1.573 4.029 1.00 0.00 O ATOM 632 CB GLN A 40 9.535 -3.131 4.124 1.00 0.00 C ATOM 633 CG GLN A 40 10.041 -4.555 4.362 1.00 0.00 C ATOM 634 CD GLN A 40 9.937 -4.934 5.841 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.757 -4.559 6.663 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.887 -5.696 6.132 1.00 0.00 N ATOM 0 H GLN A 40 9.293 -1.291 2.227 1.00 0.00 H new ATOM 0 HA GLN A 40 8.445 -4.102 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.376 -2.476 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.071 -2.750 5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.461 -5.256 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.077 -4.636 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.239 -5.974 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.730 -6.002 7.092 1.00 0.00 H new ATOM 645 N LEU A 41 6.172 -3.531 3.251 1.00 0.00 N ATOM 646 CA LEU A 41 4.809 -3.252 3.669 1.00 0.00 C ATOM 647 C LEU A 41 4.518 -3.996 4.974 1.00 0.00 C ATOM 648 O LEU A 41 4.874 -5.165 5.119 1.00 0.00 O ATOM 649 CB LEU A 41 3.826 -3.578 2.543 1.00 0.00 C ATOM 650 CG LEU A 41 3.688 -2.520 1.446 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.578 -2.853 0.248 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.224 -2.339 1.040 1.00 0.00 C ATOM 0 H LEU A 41 6.301 -4.431 2.789 1.00 0.00 H new ATOM 0 HA LEU A 41 4.683 -2.189 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.133 -4.516 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.843 -3.747 2.983 1.00 0.00 H new ATOM 0 HG LEU A 41 4.031 -1.566 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.461 -2.085 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.619 -2.891 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.289 -3.821 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.154 -1.582 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.831 -3.284 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.643 -2.022 1.906 1.00 0.00 H new ATOM 664 N SER A 42 3.874 -3.289 5.890 1.00 0.00 N ATOM 665 CA SER A 42 3.531 -3.868 7.178 1.00 0.00 C ATOM 666 C SER A 42 2.145 -3.389 7.615 1.00 0.00 C ATOM 667 O SER A 42 1.629 -2.406 7.086 1.00 0.00 O ATOM 668 CB SER A 42 4.574 -3.510 8.238 1.00 0.00 C ATOM 669 OG SER A 42 4.209 -3.989 9.530 1.00 0.00 O ATOM 0 H SER A 42 3.580 -2.320 5.766 1.00 0.00 H new ATOM 0 HA SER A 42 3.517 -4.953 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.538 -3.931 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.697 -2.428 8.274 1.00 0.00 H new ATOM 0 HG SER A 42 4.901 -3.742 10.178 1.00 0.00 H new ATOM 675 N ALA A 43 1.582 -4.107 8.575 1.00 0.00 N ATOM 676 CA ALA A 43 0.265 -3.768 9.089 1.00 0.00 C ATOM 677 C ALA A 43 0.373 -3.444 10.580 1.00 0.00 C ATOM 678 O ALA A 43 0.890 -4.244 11.358 1.00 0.00 O ATOM 679 CB ALA A 43 -0.703 -4.920 8.811 1.00 0.00 C ATOM 0 H ALA A 43 2.013 -4.922 9.011 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.128 -2.884 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.691 -4.666 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.766 -5.091 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.343 -5.824 9.302 1.00 0.00 H new ATOM 685 N GLU A 44 -0.125 -2.268 10.935 1.00 0.00 N ATOM 686 CA GLU A 44 -0.092 -1.827 12.319 1.00 0.00 C ATOM 687 C GLU A 44 -1.505 -1.809 12.904 1.00 0.00 C ATOM 688 O GLU A 44 -1.711 -2.201 14.052 1.00 0.00 O ATOM 689 CB GLU A 44 0.570 -0.454 12.441 1.00 0.00 C ATOM 690 CG GLU A 44 -0.122 0.395 13.510 1.00 0.00 C ATOM 691 CD GLU A 44 0.811 1.493 14.027 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.956 1.143 14.383 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.357 2.657 14.053 1.00 0.00 O ATOM 0 H GLU A 44 -0.554 -1.607 10.287 1.00 0.00 H new ATOM 0 HA GLU A 44 0.508 -2.535 12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.623 -0.575 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.529 0.060 11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.024 0.845 13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.435 -0.241 14.338 1.00 0.00 H new ATOM 700 N SER A 45 -2.443 -1.349 12.089 1.00 0.00 N ATOM 701 CA SER A 45 -3.831 -1.274 12.512 1.00 0.00 C ATOM 702 C SER A 45 -4.728 -1.974 11.489 1.00 0.00 C ATOM 703 O SER A 45 -4.292 -2.275 10.379 1.00 0.00 O ATOM 704 CB SER A 45 -4.273 0.179 12.698 1.00 0.00 C ATOM 705 OG SER A 45 -3.172 1.040 12.975 1.00 0.00 O ATOM 0 H SER A 45 -2.269 -1.024 11.138 1.00 0.00 H new ATOM 0 HA SER A 45 -3.923 -1.779 13.473 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.783 0.521 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.993 0.237 13.514 1.00 0.00 H new ATOM 0 HG SER A 45 -3.364 1.938 12.632 1.00 0.00 H new ATOM 711 N VAL A 46 -5.965 -2.214 11.900 1.00 0.00 N ATOM 712 CA VAL A 46 -6.927 -2.873 11.033 1.00 0.00 C ATOM 713 C VAL A 46 -7.203 -1.986 9.817 1.00 0.00 C ATOM 714 O VAL A 46 -7.684 -0.863 9.960 1.00 0.00 O ATOM 715 CB VAL A 46 -8.192 -3.217 11.822 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.286 -3.753 10.896 1.00 0.00 C ATOM 717 CG2 VAL A 46 -7.885 -4.214 12.942 1.00 0.00 C ATOM 0 H VAL A 46 -6.323 -1.964 12.822 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.525 -3.816 10.662 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.561 -2.300 12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.174 -3.990 11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.534 -2.998 10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.930 -4.654 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.801 -4.442 13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.481 -5.131 12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.154 -3.780 13.625 1.00 0.00 H new ATOM 727 N GLY A 47 -6.888 -2.524 8.648 1.00 0.00 N ATOM 728 CA GLY A 47 -7.097 -1.795 7.409 1.00 0.00 C ATOM 729 C GLY A 47 -6.002 -0.747 7.198 1.00 0.00 C ATOM 730 O GLY A 47 -6.081 0.061 6.274 1.00 0.00 O ATOM 0 H GLY A 47 -6.490 -3.456 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.106 -2.491 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.072 -1.308 7.429 1.00 0.00 H new ATOM 734 N GLU A 48 -5.007 -0.794 8.071 1.00 0.00 N ATOM 735 CA GLU A 48 -3.898 0.142 7.992 1.00 0.00 C ATOM 736 C GLU A 48 -2.597 -0.601 7.681 1.00 0.00 C ATOM 737 O GLU A 48 -2.318 -1.644 8.271 1.00 0.00 O ATOM 738 CB GLU A 48 -3.771 0.952 9.284 1.00 0.00 C ATOM 739 CG GLU A 48 -5.008 1.824 9.508 1.00 0.00 C ATOM 740 CD GLU A 48 -4.694 2.990 10.448 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.247 4.035 9.926 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.907 2.811 11.666 1.00 0.00 O ATOM 0 H GLU A 48 -4.945 -1.465 8.837 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.097 0.842 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.640 0.277 10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.882 1.581 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.364 2.208 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.812 1.220 9.928 1.00 0.00 H new ATOM 749 N VAL A 49 -1.836 -0.035 6.756 1.00 0.00 N ATOM 750 CA VAL A 49 -0.572 -0.631 6.360 1.00 0.00 C ATOM 751 C VAL A 49 0.509 0.451 6.325 1.00 0.00 C ATOM 752 O VAL A 49 0.209 1.626 6.117 1.00 0.00 O ATOM 753 CB VAL A 49 -0.732 -1.358 5.023 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.838 -2.413 5.102 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.000 -0.368 3.888 1.00 0.00 C ATOM 0 H VAL A 49 -2.071 0.830 6.269 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.259 -1.380 7.087 1.00 0.00 H new ATOM 0 HB VAL A 49 0.206 -1.870 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.931 -2.915 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.588 -3.145 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.783 -1.931 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.110 -0.911 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.916 0.185 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.166 0.329 3.808 1.00 0.00 H new ATOM 765 N TYR A 50 1.743 0.017 6.533 1.00 0.00 N ATOM 766 CA TYR A 50 2.870 0.935 6.528 1.00 0.00 C ATOM 767 C TYR A 50 3.865 0.575 5.423 1.00 0.00 C ATOM 768 O TYR A 50 4.242 -0.586 5.276 1.00 0.00 O ATOM 769 CB TYR A 50 3.553 0.770 7.887 1.00 0.00 C ATOM 770 CG TYR A 50 3.192 1.857 8.901 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.341 3.188 8.569 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.716 1.505 10.148 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.000 4.211 9.524 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.376 2.528 11.103 1.00 0.00 C ATOM 775 CZ TYR A 50 2.534 3.830 10.744 1.00 0.00 C ATOM 776 OH TYR A 50 2.213 4.796 11.646 1.00 0.00 O ATOM 0 H TYR A 50 1.988 -0.958 6.706 1.00 0.00 H new ATOM 0 HA TYR A 50 2.533 1.956 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.285 -0.202 8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.633 0.768 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.713 3.463 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.599 0.463 10.407 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.112 5.256 9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.004 2.267 12.083 1.00 0.00 H new ATOM 0 HH TYR A 50 1.893 4.378 12.473 1.00 0.00 H new ATOM 786 N ILE A 51 4.262 1.594 4.674 1.00 0.00 N ATOM 787 CA ILE A 51 5.206 1.400 3.586 1.00 0.00 C ATOM 788 C ILE A 51 6.518 2.111 3.923 1.00 0.00 C ATOM 789 O ILE A 51 6.532 3.319 4.154 1.00 0.00 O ATOM 790 CB ILE A 51 4.590 1.842 2.257 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.168 1.298 2.104 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.485 1.447 1.080 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.550 1.745 0.777 1.00 0.00 C ATOM 0 H ILE A 51 3.947 2.556 4.799 1.00 0.00 H new ATOM 0 HA ILE A 51 5.438 0.342 3.466 1.00 0.00 H new ATOM 0 HB ILE A 51 4.520 2.930 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.184 0.209 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.551 1.646 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.024 1.773 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.460 1.922 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.609 0.364 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.540 1.345 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.513 2.834 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.156 1.375 -0.050 1.00 0.00 H new ATOM 805 N LYS A 52 7.589 1.331 3.940 1.00 0.00 N ATOM 806 CA LYS A 52 8.903 1.872 4.244 1.00 0.00 C ATOM 807 C LYS A 52 9.937 1.246 3.305 1.00 0.00 C ATOM 808 O LYS A 52 9.815 0.081 2.930 1.00 0.00 O ATOM 809 CB LYS A 52 9.228 1.686 5.728 1.00 0.00 C ATOM 810 CG LYS A 52 10.566 2.339 6.082 1.00 0.00 C ATOM 811 CD LYS A 52 11.175 1.698 7.330 1.00 0.00 C ATOM 812 CE LYS A 52 11.781 0.331 7.005 1.00 0.00 C ATOM 813 NZ LYS A 52 12.434 -0.245 8.201 1.00 0.00 N ATOM 0 H LYS A 52 7.574 0.329 3.748 1.00 0.00 H new ATOM 0 HA LYS A 52 8.922 2.948 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.435 2.122 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.264 0.623 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.256 2.240 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.421 3.406 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.944 2.352 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.408 1.587 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.002 -0.343 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.508 0.432 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.840 -1.172 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.191 0.391 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.731 -0.359 8.959 1.00 0.00 H new ATOM 827 N SER A 53 10.930 2.049 2.953 1.00 0.00 N ATOM 828 CA SER A 53 11.984 1.589 2.065 1.00 0.00 C ATOM 829 C SER A 53 12.988 0.734 2.842 1.00 0.00 C ATOM 830 O SER A 53 13.380 1.088 3.953 1.00 0.00 O ATOM 831 CB SER A 53 12.696 2.768 1.397 1.00 0.00 C ATOM 832 OG SER A 53 12.841 2.578 -0.007 1.00 0.00 O ATOM 0 H SER A 53 11.027 3.015 3.266 1.00 0.00 H new ATOM 0 HA SER A 53 11.530 0.983 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.134 3.683 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.679 2.901 1.848 1.00 0.00 H new ATOM 0 HG SER A 53 13.298 3.352 -0.396 1.00 0.00 H new ATOM 838 N THR A 54 13.373 -0.374 2.227 1.00 0.00 N ATOM 839 CA THR A 54 14.323 -1.282 2.848 1.00 0.00 C ATOM 840 C THR A 54 15.752 -0.922 2.436 1.00 0.00 C ATOM 841 O THR A 54 16.713 -1.476 2.967 1.00 0.00 O ATOM 842 CB THR A 54 13.925 -2.711 2.474 1.00 0.00 C ATOM 843 OG1 THR A 54 13.919 -2.709 1.049 1.00 0.00 O ATOM 844 CG2 THR A 54 12.478 -3.034 2.852 1.00 0.00 C ATOM 0 H THR A 54 13.045 -0.664 1.306 1.00 0.00 H new ATOM 0 HA THR A 54 14.300 -1.196 3.934 1.00 0.00 H new ATOM 0 HB THR A 54 14.595 -3.415 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.067 -2.347 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.247 -4.060 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.349 -2.921 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.805 -2.352 2.332 1.00 0.00 H new ATOM 852 N GLU A 55 15.846 0.004 1.493 1.00 0.00 N ATOM 853 CA GLU A 55 17.142 0.444 1.004 1.00 0.00 C ATOM 854 C GLU A 55 17.596 1.696 1.757 1.00 0.00 C ATOM 855 O GLU A 55 18.443 1.617 2.646 1.00 0.00 O ATOM 856 CB GLU A 55 17.101 0.696 -0.505 1.00 0.00 C ATOM 857 CG GLU A 55 18.491 1.044 -1.040 1.00 0.00 C ATOM 858 CD GLU A 55 19.144 -0.171 -1.702 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.584 -1.062 -0.945 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.188 -0.181 -2.952 1.00 0.00 O ATOM 0 H GLU A 55 15.047 0.461 1.055 1.00 0.00 H new ATOM 0 HA GLU A 55 17.867 -0.349 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.722 -0.190 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.409 1.510 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.414 1.858 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.120 1.400 -0.224 1.00 0.00 H new ATOM 867 N THR A 56 17.013 2.822 1.374 1.00 0.00 N ATOM 868 CA THR A 56 17.347 4.089 2.002 1.00 0.00 C ATOM 869 C THR A 56 16.976 4.063 3.486 1.00 0.00 C ATOM 870 O THR A 56 17.842 4.195 4.349 1.00 0.00 O ATOM 871 CB THR A 56 16.649 5.203 1.220 1.00 0.00 C ATOM 872 OG1 THR A 56 15.264 5.003 1.493 1.00 0.00 O ATOM 873 CG2 THR A 56 16.762 5.016 -0.294 1.00 0.00 C ATOM 0 H THR A 56 16.311 2.884 0.636 1.00 0.00 H new ATOM 0 HA THR A 56 18.421 4.275 1.971 1.00 0.00 H new ATOM 0 HB THR A 56 17.078 6.166 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.732 5.309 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.250 5.834 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.813 5.012 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.304 4.069 -0.579 1.00 0.00 H new ATOM 881 N GLY A 57 15.686 3.892 3.737 1.00 0.00 N ATOM 882 CA GLY A 57 15.189 3.847 5.102 1.00 0.00 C ATOM 883 C GLY A 57 14.200 4.984 5.363 1.00 0.00 C ATOM 884 O GLY A 57 14.250 5.627 6.411 1.00 0.00 O ATOM 0 H GLY A 57 14.970 3.783 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.703 2.889 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.024 3.919 5.799 1.00 0.00 H new ATOM 888 N GLN A 58 13.324 5.198 4.393 1.00 0.00 N ATOM 889 CA GLN A 58 12.324 6.247 4.504 1.00 0.00 C ATOM 890 C GLN A 58 10.918 5.651 4.424 1.00 0.00 C ATOM 891 O GLN A 58 10.745 4.517 3.979 1.00 0.00 O ATOM 892 CB GLN A 58 12.529 7.316 3.429 1.00 0.00 C ATOM 893 CG GLN A 58 14.009 7.679 3.291 1.00 0.00 C ATOM 894 CD GLN A 58 14.267 8.443 1.991 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.821 9.530 1.980 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.836 7.816 0.900 1.00 0.00 N ATOM 0 H GLN A 58 13.286 4.663 3.526 1.00 0.00 H new ATOM 0 HA GLN A 58 12.438 6.729 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.149 6.954 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.955 8.207 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.319 8.286 4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.613 6.772 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.380 6.907 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.961 8.244 -0.017 1.00 0.00 H new ATOM 905 N TYR A 59 9.948 6.441 4.861 1.00 0.00 N ATOM 906 CA TYR A 59 8.562 6.005 4.844 1.00 0.00 C ATOM 907 C TYR A 59 7.768 6.745 3.766 1.00 0.00 C ATOM 908 O TYR A 59 7.941 7.948 3.578 1.00 0.00 O ATOM 909 CB TYR A 59 7.991 6.363 6.217 1.00 0.00 C ATOM 910 CG TYR A 59 8.655 5.623 7.380 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.325 4.309 7.640 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.585 6.270 8.168 1.00 0.00 C ATOM 913 CE1 TYR A 59 8.951 3.612 8.735 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.211 5.574 9.263 1.00 0.00 C ATOM 915 CZ TYR A 59 9.863 4.279 9.492 1.00 0.00 C ATOM 916 OH TYR A 59 10.453 3.622 10.525 1.00 0.00 O ATOM 0 H TYR A 59 10.095 7.381 5.229 1.00 0.00 H new ATOM 0 HA TYR A 59 8.498 4.938 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.098 7.436 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.923 6.144 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.598 3.803 7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.844 7.298 7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.702 2.583 8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.940 6.069 9.888 1.00 0.00 H new ATOM 0 HH TYR A 59 11.083 4.222 10.977 1.00 0.00 H new ATOM 926 N LEU A 60 6.914 5.995 3.085 1.00 0.00 N ATOM 927 CA LEU A 60 6.093 6.564 2.031 1.00 0.00 C ATOM 928 C LEU A 60 4.930 7.337 2.657 1.00 0.00 C ATOM 929 O LEU A 60 4.078 6.752 3.323 1.00 0.00 O ATOM 930 CB LEU A 60 5.650 5.477 1.050 1.00 0.00 C ATOM 931 CG LEU A 60 4.777 5.942 -0.118 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.635 6.327 -1.325 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.729 4.885 -0.473 1.00 0.00 C ATOM 0 H LEU A 60 6.773 4.997 3.243 1.00 0.00 H new ATOM 0 HA LEU A 60 6.671 7.277 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.541 4.998 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.103 4.715 1.606 1.00 0.00 H new ATOM 0 HG LEU A 60 4.239 6.838 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.990 6.654 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.309 7.138 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.218 5.464 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.122 5.240 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.228 3.959 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.089 4.702 0.390 1.00 0.00 H new ATOM 945 N ALA A 61 4.933 8.641 2.421 1.00 0.00 N ATOM 946 CA ALA A 61 3.890 9.500 2.954 1.00 0.00 C ATOM 947 C ALA A 61 3.430 10.472 1.865 1.00 0.00 C ATOM 948 O ALA A 61 4.183 10.776 0.941 1.00 0.00 O ATOM 949 CB ALA A 61 4.409 10.223 4.198 1.00 0.00 C ATOM 0 H ALA A 61 5.641 9.123 1.868 1.00 0.00 H new ATOM 0 HA ALA A 61 3.025 8.910 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.626 10.867 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.695 9.490 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.276 10.828 3.932 1.00 0.00 H new ATOM 955 N MET A 62 2.195 10.931 2.009 1.00 0.00 N ATOM 956 CA MET A 62 1.626 11.862 1.050 1.00 0.00 C ATOM 957 C MET A 62 1.609 13.286 1.610 1.00 0.00 C ATOM 958 O MET A 62 1.256 13.496 2.769 1.00 0.00 O ATOM 959 CB MET A 62 0.199 11.432 0.706 1.00 0.00 C ATOM 960 CG MET A 62 -0.388 12.312 -0.400 1.00 0.00 C ATOM 961 SD MET A 62 0.066 11.665 -2.000 1.00 0.00 S ATOM 962 CE MET A 62 -0.837 10.125 -1.979 1.00 0.00 C ATOM 0 H MET A 62 1.573 10.675 2.776 1.00 0.00 H new ATOM 0 HA MET A 62 2.245 11.852 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.197 10.390 0.386 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.428 11.494 1.596 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.473 12.350 -0.308 1.00 0.00 H new ATOM 0 HG3 MET A 62 -0.024 13.334 -0.295 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.650 9.581 -2.905 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.510 9.523 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.904 10.330 -1.888 1.00 0.00 H new ATOM 972 N ASP A 63 1.996 14.226 0.761 1.00 0.00 N ATOM 973 CA ASP A 63 2.029 15.624 1.157 1.00 0.00 C ATOM 974 C ASP A 63 0.699 16.286 0.790 1.00 0.00 C ATOM 975 O ASP A 63 -0.143 15.673 0.136 1.00 0.00 O ATOM 976 CB ASP A 63 3.147 16.375 0.431 1.00 0.00 C ATOM 977 CG ASP A 63 3.318 16.012 -1.046 1.00 0.00 C ATOM 978 OD1 ASP A 63 2.331 16.192 -1.792 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.430 15.562 -1.394 1.00 0.00 O ATOM 0 H ASP A 63 2.289 14.048 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 63 2.205 15.666 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.954 17.445 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.088 16.184 0.948 1.00 0.00 H new ATOM 984 N THR A 64 0.552 17.528 1.227 1.00 0.00 N ATOM 985 CA THR A 64 -0.661 18.279 0.954 1.00 0.00 C ATOM 986 C THR A 64 -0.805 18.530 -0.549 1.00 0.00 C ATOM 987 O THR A 64 -1.907 18.771 -1.039 1.00 0.00 O ATOM 988 CB THR A 64 -0.619 19.564 1.783 1.00 0.00 C ATOM 989 OG1 THR A 64 0.585 20.205 1.370 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.403 19.292 3.273 1.00 0.00 C ATOM 0 H THR A 64 1.253 18.033 1.769 1.00 0.00 H new ATOM 0 HA THR A 64 -1.548 17.717 1.245 1.00 0.00 H new ATOM 0 HB THR A 64 -1.549 20.115 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.690 21.049 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.381 20.237 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.217 18.675 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.544 18.770 3.414 1.00 0.00 H new ATOM 998 N ASP A 65 0.325 18.465 -1.238 1.00 0.00 N ATOM 999 CA ASP A 65 0.339 18.683 -2.675 1.00 0.00 C ATOM 1000 C ASP A 65 -0.239 17.453 -3.378 1.00 0.00 C ATOM 1001 O ASP A 65 -0.388 17.444 -4.599 1.00 0.00 O ATOM 1002 CB ASP A 65 1.765 18.894 -3.186 1.00 0.00 C ATOM 1003 CG ASP A 65 1.981 20.179 -3.987 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.274 21.208 -3.340 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.848 20.104 -5.228 1.00 0.00 O ATOM 0 H ASP A 65 1.237 18.265 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.255 19.572 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.444 18.897 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.041 18.044 -3.810 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.548 16.443 -2.577 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.105 15.211 -3.107 1.00 0.00 C ATOM 1012 C GLY A 66 -0.008 14.321 -3.696 1.00 0.00 C ATOM 1013 O GLY A 66 -0.297 13.281 -4.285 1.00 0.00 O ATOM 0 H GLY A 66 -0.423 16.454 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.628 14.674 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.842 15.442 -3.876 1.00 0.00 H new ATOM 1017 N LEU A 67 1.228 14.764 -3.516 1.00 0.00 N ATOM 1018 CA LEU A 67 2.369 14.021 -4.022 1.00 0.00 C ATOM 1019 C LEU A 67 2.872 13.066 -2.938 1.00 0.00 C ATOM 1020 O LEU A 67 2.469 13.167 -1.781 1.00 0.00 O ATOM 1021 CB LEU A 67 3.443 14.979 -4.544 1.00 0.00 C ATOM 1022 CG LEU A 67 3.210 15.548 -5.945 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.461 16.881 -5.877 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.527 15.669 -6.714 1.00 0.00 C ATOM 0 H LEU A 67 1.464 15.628 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 67 2.077 13.409 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.530 15.811 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.400 14.457 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 67 2.579 14.851 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.308 17.264 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.495 16.731 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.046 17.598 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.333 16.076 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.203 16.333 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.985 14.684 -6.809 1.00 0.00 H new ATOM 1036 N LEU A 68 3.746 12.160 -3.352 1.00 0.00 N ATOM 1037 CA LEU A 68 4.308 11.187 -2.431 1.00 0.00 C ATOM 1038 C LEU A 68 5.773 11.535 -2.159 1.00 0.00 C ATOM 1039 O LEU A 68 6.507 11.906 -3.074 1.00 0.00 O ATOM 1040 CB LEU A 68 4.102 9.766 -2.960 1.00 0.00 C ATOM 1041 CG LEU A 68 2.668 9.236 -2.918 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.486 8.068 -3.889 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.262 8.863 -1.491 1.00 0.00 C ATOM 0 H LEU A 68 4.079 12.079 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 68 3.788 11.225 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.452 9.730 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.735 9.090 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 68 2.000 10.033 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.458 7.710 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.706 8.401 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.165 7.260 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.238 8.489 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.931 8.090 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.327 9.744 -0.852 1.00 0.00 H new ATOM 1055 N TYR A 69 6.155 11.404 -0.897 1.00 0.00 N ATOM 1056 CA TYR A 69 7.519 11.701 -0.493 1.00 0.00 C ATOM 1057 C TYR A 69 7.951 10.811 0.674 1.00 0.00 C ATOM 1058 O TYR A 69 7.111 10.240 1.369 1.00 0.00 O ATOM 1059 CB TYR A 69 7.514 13.159 -0.032 1.00 0.00 C ATOM 1060 CG TYR A 69 6.866 13.378 1.337 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.482 12.899 2.476 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.667 14.053 1.432 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.872 13.105 3.764 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.057 14.259 2.720 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.689 13.774 3.823 1.00 0.00 C ATOM 1066 OH TYR A 69 5.113 13.968 5.039 1.00 0.00 O ATOM 0 H TYR A 69 5.544 11.096 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 69 8.210 11.526 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.541 13.522 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.987 13.761 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.421 12.370 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.186 14.427 0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.343 12.737 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.119 14.787 2.809 1.00 0.00 H new ATOM 0 HH TYR A 69 4.273 14.461 4.928 1.00 0.00 H new ATOM 1076 N GLY A 70 9.260 10.720 0.855 1.00 0.00 N ATOM 1077 CA GLY A 70 9.814 9.910 1.926 1.00 0.00 C ATOM 1078 C GLY A 70 10.004 10.738 3.198 1.00 0.00 C ATOM 1079 O GLY A 70 10.654 11.782 3.173 1.00 0.00 O ATOM 0 H GLY A 70 9.954 11.195 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.151 9.069 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.771 9.493 1.613 1.00 0.00 H new ATOM 1083 N SER A 71 9.424 10.241 4.282 1.00 0.00 N ATOM 1084 CA SER A 71 9.522 10.923 5.561 1.00 0.00 C ATOM 1085 C SER A 71 10.729 10.399 6.342 1.00 0.00 C ATOM 1086 O SER A 71 11.000 9.199 6.342 1.00 0.00 O ATOM 1087 CB SER A 71 8.242 10.743 6.380 1.00 0.00 C ATOM 1088 OG SER A 71 8.157 11.678 7.451 1.00 0.00 O ATOM 0 H SER A 71 8.885 9.375 4.300 1.00 0.00 H new ATOM 0 HA SER A 71 9.654 11.988 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.376 10.858 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.207 9.730 6.780 1.00 0.00 H new ATOM 0 HG SER A 71 8.246 11.206 8.305 1.00 0.00 H new ATOM 1094 N GLN A 72 11.421 11.325 6.990 1.00 0.00 N ATOM 1095 CA GLN A 72 12.593 10.972 7.773 1.00 0.00 C ATOM 1096 C GLN A 72 12.201 10.042 8.924 1.00 0.00 C ATOM 1097 O GLN A 72 12.946 9.125 9.266 1.00 0.00 O ATOM 1098 CB GLN A 72 13.301 12.223 8.296 1.00 0.00 C ATOM 1099 CG GLN A 72 14.796 11.966 8.490 1.00 0.00 C ATOM 1100 CD GLN A 72 15.632 13.033 7.780 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.340 14.217 7.820 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.686 12.550 7.128 1.00 0.00 N ATOM 0 H GLN A 72 11.192 12.319 6.989 1.00 0.00 H new ATOM 0 HA GLN A 72 13.293 10.443 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.158 13.046 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.855 12.529 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.033 11.962 9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.053 10.980 8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.874 11.548 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.306 13.182 6.622 1.00 0.00 H new ATOM 1111 N THR A 73 11.034 10.312 9.489 1.00 0.00 N ATOM 1112 CA THR A 73 10.535 9.511 10.594 1.00 0.00 C ATOM 1113 C THR A 73 9.146 8.958 10.268 1.00 0.00 C ATOM 1114 O THR A 73 8.459 9.476 9.389 1.00 0.00 O ATOM 1115 CB THR A 73 10.563 10.376 11.856 1.00 0.00 C ATOM 1116 OG1 THR A 73 10.184 11.671 11.398 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.980 10.573 12.399 1.00 0.00 C ATOM 0 H THR A 73 10.419 11.074 9.203 1.00 0.00 H new ATOM 0 HA THR A 73 11.166 8.639 10.766 1.00 0.00 H new ATOM 0 HB THR A 73 9.940 9.918 12.624 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.175 12.295 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.944 11.194 13.294 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.413 9.604 12.647 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.595 11.062 11.643 1.00 0.00 H new ATOM 1125 N PRO A 74 8.764 7.886 11.013 1.00 0.00 N ATOM 1126 CA PRO A 74 7.470 7.258 10.811 1.00 0.00 C ATOM 1127 C PRO A 74 6.347 8.112 11.403 1.00 0.00 C ATOM 1128 O PRO A 74 6.174 8.159 12.620 1.00 0.00 O ATOM 1129 CB PRO A 74 7.588 5.893 11.470 1.00 0.00 C ATOM 1130 CG PRO A 74 8.776 5.988 12.414 1.00 0.00 C ATOM 1131 CD PRO A 74 9.552 7.246 12.062 1.00 0.00 C ATOM 0 HA PRO A 74 7.212 7.156 9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.677 5.641 12.013 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.742 5.112 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.438 6.025 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.412 5.108 12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.663 7.898 12.928 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.556 7.007 11.713 1.00 0.00 H new ATOM 1139 N ASN A 75 5.614 8.767 10.515 1.00 0.00 N ATOM 1140 CA ASN A 75 4.513 9.617 10.934 1.00 0.00 C ATOM 1141 C ASN A 75 3.197 9.034 10.416 1.00 0.00 C ATOM 1142 O ASN A 75 3.189 8.279 9.444 1.00 0.00 O ATOM 1143 CB ASN A 75 4.660 11.030 10.366 1.00 0.00 C ATOM 1144 CG ASN A 75 3.592 11.965 10.936 1.00 0.00 C ATOM 1145 OD1 ASN A 75 3.210 11.882 12.092 1.00 0.00 O ATOM 1146 ND2 ASN A 75 3.132 12.857 10.063 1.00 0.00 N ATOM 0 H ASN A 75 5.761 8.726 9.507 1.00 0.00 H new ATOM 0 HA ASN A 75 4.520 9.664 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.651 11.419 10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.579 10.999 9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.416 13.526 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.495 12.872 9.110 1.00 0.00 H new ATOM 1153 N GLU A 76 2.117 9.405 11.087 1.00 0.00 N ATOM 1154 CA GLU A 76 0.798 8.928 10.706 1.00 0.00 C ATOM 1155 C GLU A 76 0.595 9.079 9.197 1.00 0.00 C ATOM 1156 O GLU A 76 -0.103 8.277 8.578 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.296 9.662 11.483 1.00 0.00 C ATOM 1158 CG GLU A 76 -0.873 8.775 12.587 1.00 0.00 C ATOM 1159 CD GLU A 76 -0.350 9.199 13.961 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -0.210 10.425 14.162 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -0.100 8.287 14.779 1.00 0.00 O ATOM 0 H GLU A 76 2.128 10.031 11.893 1.00 0.00 H new ATOM 0 HA GLU A 76 0.728 7.870 10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.112 10.573 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.091 9.964 10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.961 8.834 12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.608 7.735 12.398 1.00 0.00 H new ATOM 1168 N GLU A 77 1.217 10.112 8.649 1.00 0.00 N ATOM 1169 CA GLU A 77 1.113 10.378 7.224 1.00 0.00 C ATOM 1170 C GLU A 77 1.634 9.184 6.421 1.00 0.00 C ATOM 1171 O GLU A 77 1.221 8.970 5.282 1.00 0.00 O ATOM 1172 CB GLU A 77 1.862 11.659 6.849 1.00 0.00 C ATOM 1173 CG GLU A 77 1.176 12.889 7.446 1.00 0.00 C ATOM 1174 CD GLU A 77 1.608 14.165 6.719 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.354 14.235 5.497 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.183 15.040 7.401 1.00 0.00 O ATOM 0 H GLU A 77 1.795 10.775 9.166 1.00 0.00 H new ATOM 0 HA GLU A 77 0.061 10.525 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.890 11.602 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.907 11.754 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.094 12.776 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.422 12.969 8.505 1.00 0.00 H new ATOM 1183 N CYS A 78 2.532 8.438 7.047 1.00 0.00 N ATOM 1184 CA CYS A 78 3.113 7.271 6.405 1.00 0.00 C ATOM 1185 C CYS A 78 2.120 6.113 6.524 1.00 0.00 C ATOM 1186 O CYS A 78 2.236 5.115 5.813 1.00 0.00 O ATOM 1187 CB CYS A 78 4.476 6.917 7.002 1.00 0.00 C ATOM 1188 SG CYS A 78 5.573 8.382 6.971 1.00 0.00 S ATOM 0 H CYS A 78 2.872 8.619 7.992 1.00 0.00 H new ATOM 0 HA CYS A 78 3.295 7.485 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.353 6.566 8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.929 6.102 6.438 1.00 0.00 H new ATOM 0 HG CYS A 78 5.036 9.341 7.666 1.00 0.00 H new ATOM 1194 N LEU A 79 1.166 6.284 7.427 1.00 0.00 N ATOM 1195 CA LEU A 79 0.154 5.265 7.649 1.00 0.00 C ATOM 1196 C LEU A 79 -0.984 5.457 6.643 1.00 0.00 C ATOM 1197 O LEU A 79 -1.614 6.512 6.607 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.307 5.275 9.108 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.079 4.040 9.576 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.603 2.785 8.841 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -0.991 3.882 11.095 1.00 0.00 C ATOM 0 H LEU A 79 1.072 7.113 8.014 1.00 0.00 H new ATOM 0 HA LEU A 79 0.569 4.272 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.570 5.394 9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.935 6.152 9.264 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.131 4.180 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.168 1.921 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.759 2.910 7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.458 2.629 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.548 2.997 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.053 3.774 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.415 4.763 11.578 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.212 4.419 5.852 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.263 4.459 4.849 1.00 0.00 C ATOM 1215 C PHE A 80 -3.317 3.383 5.115 1.00 0.00 C ATOM 1216 O PHE A 80 -3.085 2.462 5.897 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.601 4.185 3.497 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.807 5.369 2.942 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.188 5.928 3.681 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.096 5.863 1.708 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.925 7.027 3.166 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.359 6.962 1.192 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.636 7.520 1.932 1.00 0.00 C ATOM 0 H PHE A 80 -0.687 3.545 5.885 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.760 5.429 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.934 3.329 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.371 3.907 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.418 5.536 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.886 5.419 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.715 7.471 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.589 7.354 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.197 8.355 1.540 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.452 3.534 4.450 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.543 2.586 4.605 1.00 0.00 C ATOM 1235 C LEU A 81 -5.593 1.669 3.382 1.00 0.00 C ATOM 1236 O LEU A 81 -5.757 2.137 2.256 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.857 3.321 4.877 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.842 4.313 6.042 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -7.823 5.461 5.797 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -7.112 3.602 7.370 1.00 0.00 C ATOM 0 H LEU A 81 -4.641 4.299 3.802 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.375 1.950 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.144 3.857 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.633 2.579 5.067 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.845 4.750 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.793 6.152 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.545 5.989 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.832 5.061 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.096 4.329 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.089 3.121 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.343 2.849 7.542 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.449 0.378 3.643 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.476 -0.609 2.578 1.00 0.00 C ATOM 1254 C GLU A 82 -6.761 -1.436 2.652 1.00 0.00 C ATOM 1255 O GLU A 82 -7.271 -1.701 3.739 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.241 -1.511 2.634 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.411 -2.731 1.727 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.279 -3.797 2.400 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.058 -4.029 3.608 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.143 -4.355 1.691 1.00 0.00 O ATOM 0 H GLU A 82 -5.313 -0.007 4.578 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.459 -0.084 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.360 -0.946 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.071 -1.837 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.867 -2.427 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.434 -3.150 1.488 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.249 -1.818 1.481 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.466 -2.609 1.399 1.00 0.00 C ATOM 1269 C ARG A 83 -8.511 -3.379 0.078 1.00 0.00 C ATOM 1270 O ARG A 83 -7.872 -2.985 -0.896 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.707 -1.722 1.507 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.524 -2.070 2.754 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.916 -2.578 2.373 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.736 -2.765 3.591 1.00 0.00 N ATOM 1275 CZ ARG A 83 -12.568 -3.766 4.464 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -11.607 -4.678 4.261 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -13.360 -3.856 5.542 1.00 0.00 N ATOM 0 H ARG A 83 -6.824 -1.595 0.581 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.462 -3.311 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.407 -0.675 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.325 -1.845 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.002 -2.830 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.616 -1.190 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.401 -1.868 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.833 -3.521 1.832 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.476 -2.088 3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.004 -4.609 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.479 -5.441 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.091 -3.162 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.232 -4.619 6.207 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.271 -4.465 0.088 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.407 -5.294 -1.097 1.00 0.00 C ATOM 1293 C LEU A 84 -10.628 -4.835 -1.897 1.00 0.00 C ATOM 1294 O LEU A 84 -11.749 -4.855 -1.392 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.445 -6.774 -0.714 1.00 0.00 C ATOM 1296 CG LEU A 84 -8.990 -7.759 -1.793 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -8.586 -9.100 -1.178 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -10.062 -7.923 -2.873 1.00 0.00 C ATOM 0 H LEU A 84 -9.799 -4.789 0.898 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.538 -5.178 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.819 -6.917 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.465 -7.028 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.104 -7.348 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.267 -9.781 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.765 -8.946 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.438 -9.530 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.713 -8.628 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.979 -8.300 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.258 -6.958 -3.341 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.368 -4.432 -3.133 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.431 -3.969 -4.008 1.00 0.00 C ATOM 1312 C GLU A 85 -11.736 -5.021 -5.075 1.00 0.00 C ATOM 1313 O GLU A 85 -10.884 -5.847 -5.400 1.00 0.00 O ATOM 1314 CB GLU A 85 -11.069 -2.627 -4.648 1.00 0.00 C ATOM 1315 CG GLU A 85 -9.779 -2.740 -5.464 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.058 -3.316 -6.854 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.577 -2.548 -7.693 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -9.747 -4.511 -7.046 1.00 0.00 O ATOM 0 H GLU A 85 -9.437 -4.417 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.329 -3.818 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.883 -2.296 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.948 -1.871 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.318 -1.757 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.067 -3.377 -4.939 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.955 -4.957 -5.593 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.383 -5.895 -6.617 1.00 0.00 C ATOM 1327 C GLU A 86 -12.573 -5.687 -7.898 1.00 0.00 C ATOM 1328 O GLU A 86 -12.886 -4.807 -8.699 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.883 -5.763 -6.889 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.697 -6.548 -5.858 1.00 0.00 C ATOM 1331 CD GLU A 86 -17.192 -6.257 -6.005 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -17.664 -6.278 -7.163 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.830 -6.020 -4.957 1.00 0.00 O ATOM 0 H GLU A 86 -13.659 -4.270 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.201 -6.907 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.170 -4.712 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.108 -6.129 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.516 -7.616 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.368 -6.285 -4.853 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.548 -6.512 -8.053 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.691 -6.429 -9.223 1.00 0.00 C ATOM 1342 C ASN A 87 -9.305 -6.978 -8.876 1.00 0.00 C ATOM 1343 O ASN A 87 -8.290 -6.410 -9.276 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.523 -4.979 -9.683 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.355 -4.702 -10.937 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -12.323 -3.960 -10.920 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.925 -5.339 -12.022 1.00 0.00 N ATOM 0 H ASN A 87 -11.292 -7.241 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.155 -7.009 -10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.827 -4.303 -8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.471 -4.778 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.413 -5.221 -12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.107 -5.946 -11.966 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.308 -8.075 -8.134 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.064 -8.707 -7.727 1.00 0.00 C ATOM 1356 C HIS A 88 -6.974 -7.644 -7.578 1.00 0.00 C ATOM 1357 O HIS A 88 -5.860 -7.818 -8.070 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.676 -9.821 -8.702 1.00 0.00 C ATOM 1359 CG HIS A 88 -6.880 -10.938 -8.073 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.605 -10.756 -7.564 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -7.189 -12.252 -7.874 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.177 -11.915 -7.084 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.160 -12.840 -7.278 1.00 0.00 N ATOM 0 H HIS A 88 -10.152 -8.543 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.195 -9.183 -6.755 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.583 -10.237 -9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.096 -9.390 -9.518 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -5.084 -9.879 -7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.115 -12.732 -8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.218 -12.095 -6.621 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.333 -6.566 -6.897 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.399 -5.475 -6.676 1.00 0.00 C ATOM 1373 C TYR A 89 -6.621 -4.831 -5.306 1.00 0.00 C ATOM 1374 O TYR A 89 -7.665 -5.029 -4.685 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.693 -4.441 -7.765 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.999 -4.727 -9.098 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.707 -5.210 -9.114 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.666 -4.502 -10.285 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.054 -5.480 -10.369 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.013 -4.772 -11.540 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.739 -5.247 -11.520 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.122 -5.501 -12.705 1.00 0.00 O ATOM 0 H TYR A 89 -8.258 -6.425 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.372 -5.838 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.770 -4.398 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.385 -3.457 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.185 -5.386 -8.185 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.677 -4.124 -10.273 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.043 -5.859 -10.395 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.524 -4.601 -12.476 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.731 -5.289 -13.443 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.623 -4.075 -4.874 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.696 -3.401 -3.588 1.00 0.00 C ATOM 1394 C ASN A 90 -5.496 -1.898 -3.793 1.00 0.00 C ATOM 1395 O ASN A 90 -4.945 -1.474 -4.807 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.602 -3.900 -2.642 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.606 -5.427 -2.556 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.640 -6.131 -3.552 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.570 -5.899 -1.313 1.00 0.00 N ATOM 0 H ASN A 90 -4.759 -3.914 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.673 -3.611 -3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.629 -3.554 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.753 -3.476 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.570 -6.906 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.543 -5.254 -0.523 1.00 0.00 H new ATOM 1406 N THR A 91 -5.954 -1.134 -2.812 1.00 0.00 N ATOM 1407 CA THR A 91 -5.832 0.313 -2.872 1.00 0.00 C ATOM 1408 C THR A 91 -5.240 0.852 -1.569 1.00 0.00 C ATOM 1409 O THR A 91 -5.307 0.193 -0.533 1.00 0.00 O ATOM 1410 CB THR A 91 -7.211 0.891 -3.197 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.119 0.020 -2.528 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.574 0.742 -4.676 1.00 0.00 C ATOM 0 H THR A 91 -6.410 -1.489 -1.972 1.00 0.00 H new ATOM 0 HA THR A 91 -5.142 0.619 -3.658 1.00 0.00 H new ATOM 0 HB THR A 91 -7.237 1.945 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.038 0.323 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.562 1.168 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.838 1.266 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.581 -0.314 -4.944 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.673 2.046 -1.663 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.069 2.681 -0.505 1.00 0.00 C ATOM 1422 C TYR A 92 -4.434 4.166 -0.440 1.00 0.00 C ATOM 1423 O TYR A 92 -4.361 4.871 -1.446 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.556 2.549 -0.692 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.076 1.108 -0.878 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.290 0.176 0.117 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.428 0.741 -2.040 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.838 -1.180 -0.058 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.976 -0.615 -2.215 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.203 -1.509 -1.215 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.776 -2.789 -1.380 1.00 0.00 O ATOM 0 H TYR A 92 -4.619 2.590 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.420 2.213 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.255 3.136 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.054 2.979 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.796 0.464 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.260 1.471 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.000 -1.919 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.468 -0.915 -3.120 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.562 -2.944 -2.324 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.821 4.596 0.752 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.198 5.984 0.960 1.00 0.00 C ATOM 1443 C ILE A 93 -4.566 6.490 2.258 1.00 0.00 C ATOM 1444 O ILE A 93 -4.311 5.710 3.174 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.720 6.137 0.916 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.269 5.765 -0.462 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.141 7.546 1.340 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.762 5.436 -0.387 1.00 0.00 C ATOM 0 H ILE A 93 -4.882 4.008 1.583 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.814 6.609 0.154 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.155 5.441 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.109 6.590 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.723 4.907 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.227 7.629 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.800 7.737 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.696 8.277 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.127 5.175 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.916 4.595 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.308 6.304 -0.016 1.00 0.00 H new ATOM 1460 N SER A 94 -4.331 7.793 2.295 1.00 0.00 N ATOM 1461 CA SER A 94 -3.733 8.413 3.465 1.00 0.00 C ATOM 1462 C SER A 94 -4.753 8.473 4.604 1.00 0.00 C ATOM 1463 O SER A 94 -5.925 8.768 4.378 1.00 0.00 O ATOM 1464 CB SER A 94 -3.216 9.816 3.142 1.00 0.00 C ATOM 1465 OG SER A 94 -1.906 10.034 3.657 1.00 0.00 O ATOM 0 H SER A 94 -4.544 8.437 1.533 1.00 0.00 H new ATOM 0 HA SER A 94 -2.884 7.805 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.209 9.960 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.897 10.558 3.558 1.00 0.00 H new ATOM 0 HG SER A 94 -1.611 10.940 3.428 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.269 8.187 5.804 1.00 0.00 N ATOM 1472 CA LYS A 95 -5.124 8.204 6.979 1.00 0.00 C ATOM 1473 C LYS A 95 -5.509 9.649 7.304 1.00 0.00 C ATOM 1474 O LYS A 95 -6.691 9.986 7.345 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.452 7.471 8.142 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.277 7.603 9.423 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.573 6.925 10.601 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.585 6.257 11.534 1.00 0.00 C ATOM 1479 NZ LYS A 95 -4.991 6.037 12.871 1.00 0.00 N ATOM 0 H LYS A 95 -3.296 7.942 5.988 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.050 7.663 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.330 6.417 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.454 7.877 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.438 8.657 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.259 7.155 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.869 6.180 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.993 7.662 11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.474 6.882 11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.905 5.305 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.691 5.583 13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.156 5.423 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.707 6.950 13.279 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.488 10.464 7.526 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.704 11.865 7.845 1.00 0.00 C ATOM 1495 C LYS A 96 -5.531 12.515 6.734 1.00 0.00 C ATOM 1496 O LYS A 96 -6.222 13.506 6.968 1.00 0.00 O ATOM 1497 CB LYS A 96 -3.371 12.566 8.110 1.00 0.00 C ATOM 1498 CG LYS A 96 -3.298 13.080 9.549 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.929 13.699 9.841 1.00 0.00 C ATOM 1500 CE LYS A 96 -2.059 14.897 10.784 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.727 15.469 11.082 1.00 0.00 N ATOM 0 H LYS A 96 -3.509 10.181 7.491 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.277 11.962 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.549 11.874 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.249 13.398 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.079 13.822 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.486 12.260 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.275 12.950 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.462 14.015 8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.695 15.657 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.544 14.588 11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.833 16.281 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.132 14.746 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.278 15.783 10.198 1.00 0.00 H new ATOM 1515 N HIS A 97 -5.434 11.931 5.549 1.00 0.00 N ATOM 1516 CA HIS A 97 -6.164 12.441 4.401 1.00 0.00 C ATOM 1517 C HIS A 97 -7.038 11.331 3.814 1.00 0.00 C ATOM 1518 O HIS A 97 -6.996 11.073 2.612 1.00 0.00 O ATOM 1519 CB HIS A 97 -5.207 13.048 3.374 1.00 0.00 C ATOM 1520 CG HIS A 97 -4.044 13.794 3.983 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -3.652 15.050 3.555 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -3.194 13.449 4.992 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -2.611 15.434 4.280 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -2.329 14.439 5.170 1.00 0.00 N ATOM 0 H HIS A 97 -4.861 11.109 5.359 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.825 13.248 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.821 12.252 2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.765 13.728 2.731 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.090 15.589 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.221 12.526 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.080 16.369 4.183 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.809 10.703 4.690 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.691 9.627 4.273 1.00 0.00 C ATOM 1534 C ALA A 98 -9.995 10.220 3.737 1.00 0.00 C ATOM 1535 O ALA A 98 -10.556 9.718 2.764 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.924 8.674 5.447 1.00 0.00 C ATOM 0 H ALA A 98 -7.841 10.919 5.686 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.237 9.049 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.586 7.866 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.971 8.257 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.382 9.219 6.273 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.440 11.281 4.395 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.668 11.948 3.996 1.00 0.00 C ATOM 1544 C GLU A 99 -11.438 12.767 2.724 1.00 0.00 C ATOM 1545 O GLU A 99 -12.391 13.149 2.047 1.00 0.00 O ATOM 1546 CB GLU A 99 -12.205 12.829 5.126 1.00 0.00 C ATOM 1547 CG GLU A 99 -13.207 12.062 5.990 1.00 0.00 C ATOM 1548 CD GLU A 99 -14.122 13.023 6.753 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -13.570 13.858 7.501 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -15.352 12.901 6.570 1.00 0.00 O ATOM 0 H GLU A 99 -9.972 11.695 5.201 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.420 11.188 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.378 13.177 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.684 13.714 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.807 11.405 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.672 11.426 6.696 1.00 0.00 H new ATOM 1557 N LYS A 100 -10.168 13.011 2.438 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.801 13.778 1.259 1.00 0.00 C ATOM 1559 C LYS A 100 -9.893 12.880 0.024 1.00 0.00 C ATOM 1560 O LYS A 100 -9.751 13.352 -1.103 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.428 14.426 1.447 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.410 15.323 2.687 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.438 16.490 2.504 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.956 17.019 3.857 1.00 0.00 C ATOM 1565 NZ LYS A 100 -6.122 18.227 3.674 1.00 0.00 N ATOM 0 H LYS A 100 -9.380 12.692 3.002 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.498 14.602 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.667 13.652 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.176 15.014 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.412 15.706 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.121 14.738 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.583 16.166 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.926 17.291 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.813 17.254 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.382 16.248 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.803 18.573 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.295 17.992 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.681 18.966 3.202 1.00 0.00 H new ATOM 1579 N ASN A 101 -10.131 11.602 0.277 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.244 10.634 -0.801 1.00 0.00 C ATOM 1581 C ASN A 101 -9.063 10.803 -1.759 1.00 0.00 C ATOM 1582 O ASN A 101 -9.248 11.154 -2.923 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.533 10.845 -1.598 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.598 11.536 -0.745 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -13.132 10.979 0.200 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.877 12.779 -1.130 1.00 0.00 N ATOM 0 H ASN A 101 -10.249 11.214 1.213 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.252 9.637 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.324 11.447 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.910 9.884 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.575 13.325 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.393 13.186 -1.930 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.874 10.545 -1.233 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.663 10.664 -2.026 1.00 0.00 C ATOM 1595 C TRP A 102 -6.082 9.262 -2.215 1.00 0.00 C ATOM 1596 O TRP A 102 -5.951 8.505 -1.254 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.677 11.638 -1.378 1.00 0.00 C ATOM 1598 CG TRP A 102 -6.137 13.097 -1.400 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.265 13.598 -1.920 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.429 14.230 -0.855 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.336 14.966 -1.751 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -6.184 15.362 -1.082 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -4.191 14.296 -0.191 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.786 16.643 -0.679 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.808 15.583 0.205 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.557 16.733 -0.016 1.00 0.00 C ATOM 0 H TRP A 102 -7.724 10.254 -0.267 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.884 11.084 -3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.511 11.336 -0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.718 11.563 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.024 13.006 -2.410 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.094 15.574 -2.060 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.584 13.423 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.395 17.514 -0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.864 15.690 0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.192 17.691 0.322 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.747 8.958 -3.461 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.183 7.659 -3.788 1.00 0.00 C ATOM 1619 C PHE A 103 -3.738 7.796 -4.273 1.00 0.00 C ATOM 1620 O PHE A 103 -3.376 8.803 -4.880 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.034 7.073 -4.917 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.491 6.817 -4.528 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.850 5.625 -3.981 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -8.428 7.782 -4.730 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.203 5.387 -3.621 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.781 7.544 -4.370 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.140 6.352 -3.823 1.00 0.00 C ATOM 0 H PHE A 103 -5.855 9.588 -4.255 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.183 7.020 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.010 7.754 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.586 6.135 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.106 4.859 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.143 8.729 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.488 4.440 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.525 8.310 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.169 6.172 -3.549 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.952 6.769 -3.987 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.555 6.762 -4.386 1.00 0.00 C ATOM 1639 C VAL A 104 -1.465 6.698 -5.912 1.00 0.00 C ATOM 1640 O VAL A 104 -1.238 7.714 -6.567 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.819 5.612 -3.696 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.626 5.510 -4.189 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.869 5.764 -2.174 1.00 0.00 C ATOM 0 H VAL A 104 -3.256 5.936 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.063 7.682 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.328 4.684 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.126 4.685 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.632 5.333 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.151 6.440 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.339 4.934 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.397 6.703 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.907 5.763 -1.842 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.648 5.494 -6.434 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.591 5.285 -7.871 1.00 0.00 C ATOM 1655 C GLY A 105 -0.288 5.836 -8.454 1.00 0.00 C ATOM 1656 O GLY A 105 0.425 6.586 -7.789 1.00 0.00 O ATOM 0 H GLY A 105 -1.836 4.653 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.670 4.220 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.442 5.773 -8.347 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.017 5.443 -9.689 1.00 0.00 N ATOM 1661 CA LEU A 106 1.188 5.888 -10.369 1.00 0.00 C ATOM 1662 C LEU A 106 0.856 6.207 -11.829 1.00 0.00 C ATOM 1663 O LEU A 106 0.160 5.440 -12.492 1.00 0.00 O ATOM 1664 CB LEU A 106 2.308 4.859 -10.204 1.00 0.00 C ATOM 1665 CG LEU A 106 2.942 4.776 -8.814 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.696 3.457 -8.633 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.836 5.988 -8.545 1.00 0.00 C ATOM 0 H LEU A 106 -0.611 4.821 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 106 1.562 6.807 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.912 3.876 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.092 5.086 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 106 2.143 4.795 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.137 3.424 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.004 2.623 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.485 3.383 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.274 5.904 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.631 6.026 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.241 6.899 -8.603 1.00 0.00 H new ATOM 1679 N LYS A 107 1.371 7.339 -12.285 1.00 0.00 N ATOM 1680 CA LYS A 107 1.138 7.768 -13.654 1.00 0.00 C ATOM 1681 C LYS A 107 1.850 6.811 -14.612 1.00 0.00 C ATOM 1682 O LYS A 107 2.888 6.245 -14.272 1.00 0.00 O ATOM 1683 CB LYS A 107 1.544 9.233 -13.832 1.00 0.00 C ATOM 1684 CG LYS A 107 1.087 9.767 -15.191 1.00 0.00 C ATOM 1685 CD LYS A 107 0.227 11.021 -15.026 1.00 0.00 C ATOM 1686 CE LYS A 107 -1.212 10.761 -15.474 1.00 0.00 C ATOM 1687 NZ LYS A 107 -2.168 11.409 -14.548 1.00 0.00 N ATOM 0 H LYS A 107 1.948 7.972 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 107 0.075 7.725 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.107 9.835 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.626 9.327 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.957 9.997 -15.807 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.519 8.999 -15.715 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.235 11.338 -13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.652 11.837 -15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.359 11.143 -16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.400 9.688 -15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.136 11.113 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.950 11.128 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.091 12.442 -14.636 1.00 0.00 H new ATOM 1701 N LYS A 108 1.263 6.660 -15.790 1.00 0.00 N ATOM 1702 CA LYS A 108 1.829 5.781 -16.800 1.00 0.00 C ATOM 1703 C LYS A 108 3.177 6.340 -17.259 1.00 0.00 C ATOM 1704 O LYS A 108 3.919 5.670 -17.976 1.00 0.00 O ATOM 1705 CB LYS A 108 0.832 5.565 -17.941 1.00 0.00 C ATOM 1706 CG LYS A 108 0.725 4.082 -18.302 1.00 0.00 C ATOM 1707 CD LYS A 108 -0.162 3.880 -19.532 1.00 0.00 C ATOM 1708 CE LYS A 108 0.537 4.375 -20.800 1.00 0.00 C ATOM 1709 NZ LYS A 108 0.670 3.275 -21.781 1.00 0.00 N ATOM 0 H LYS A 108 0.402 7.131 -16.068 1.00 0.00 H new ATOM 0 HA LYS A 108 2.019 4.793 -16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.148 5.944 -17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.146 6.134 -18.816 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.719 3.679 -18.496 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.315 3.527 -17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.409 2.823 -19.637 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.102 4.415 -19.398 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.031 5.195 -21.239 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.522 4.768 -20.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.146 3.628 -22.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.231 2.505 -21.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.274 2.919 -22.033 1.00 0.00 H new ATOM 1723 N ASN A 109 3.454 7.561 -16.826 1.00 0.00 N ATOM 1724 CA ASN A 109 4.700 8.217 -17.183 1.00 0.00 C ATOM 1725 C ASN A 109 5.796 7.787 -16.206 1.00 0.00 C ATOM 1726 O ASN A 109 6.953 8.179 -16.353 1.00 0.00 O ATOM 1727 CB ASN A 109 4.565 9.739 -17.102 1.00 0.00 C ATOM 1728 CG ASN A 109 5.409 10.422 -18.179 1.00 0.00 C ATOM 1729 OD1 ASN A 109 5.303 10.139 -19.361 1.00 0.00 O ATOM 1730 ND2 ASN A 109 6.253 11.336 -17.706 1.00 0.00 N ATOM 0 H ASN A 109 2.837 8.113 -16.231 1.00 0.00 H new ATOM 0 HA ASN A 109 4.950 7.931 -18.205 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.519 10.022 -17.221 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.878 10.084 -16.116 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.861 11.848 -18.345 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.292 11.525 -16.704 1.00 0.00 H new ATOM 1737 N GLY A 110 5.394 6.987 -15.229 1.00 0.00 N ATOM 1738 CA GLY A 110 6.327 6.500 -14.228 1.00 0.00 C ATOM 1739 C GLY A 110 6.475 7.504 -13.083 1.00 0.00 C ATOM 1740 O GLY A 110 7.575 7.707 -12.569 1.00 0.00 O ATOM 0 H GLY A 110 4.434 6.664 -15.110 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.979 5.544 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.299 6.321 -14.688 1.00 0.00 H new ATOM 1744 N SER A 111 5.353 8.105 -12.716 1.00 0.00 N ATOM 1745 CA SER A 111 5.344 9.082 -11.641 1.00 0.00 C ATOM 1746 C SER A 111 4.148 8.836 -10.719 1.00 0.00 C ATOM 1747 O SER A 111 3.248 8.067 -11.056 1.00 0.00 O ATOM 1748 CB SER A 111 5.304 10.508 -12.193 1.00 0.00 C ATOM 1749 OG SER A 111 6.494 10.839 -12.905 1.00 0.00 O ATOM 0 H SER A 111 4.443 7.934 -13.144 1.00 0.00 H new ATOM 0 HA SER A 111 6.265 8.968 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.444 10.617 -12.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.166 11.211 -11.372 1.00 0.00 H new ATOM 0 HG SER A 111 6.429 11.757 -13.243 1.00 0.00 H new ATOM 1755 N CYS A 112 4.176 9.503 -9.575 1.00 0.00 N ATOM 1756 CA CYS A 112 3.105 9.366 -8.602 1.00 0.00 C ATOM 1757 C CYS A 112 1.965 10.302 -9.009 1.00 0.00 C ATOM 1758 O CYS A 112 2.201 11.454 -9.369 1.00 0.00 O ATOM 1759 CB CYS A 112 3.594 9.646 -7.180 1.00 0.00 C ATOM 1760 SG CYS A 112 4.355 11.308 -7.095 1.00 0.00 S ATOM 0 H CYS A 112 4.923 10.140 -9.300 1.00 0.00 H new ATOM 0 HA CYS A 112 2.745 8.337 -8.595 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.760 9.583 -6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.319 8.889 -6.880 1.00 0.00 H new ATOM 0 HG CYS A 112 3.808 12.082 -7.985 1.00 0.00 H new ATOM 1766 N LYS A 113 0.753 9.772 -8.937 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.424 10.546 -9.293 1.00 0.00 C ATOM 1768 C LYS A 113 -0.944 11.275 -8.052 1.00 0.00 C ATOM 1769 O LYS A 113 -1.219 10.649 -7.030 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.469 9.653 -9.965 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.768 10.422 -10.217 1.00 0.00 C ATOM 1772 CD LYS A 113 -3.878 9.483 -10.693 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.057 9.570 -12.210 1.00 0.00 C ATOM 1774 NZ LYS A 113 -3.233 8.544 -12.888 1.00 0.00 N ATOM 0 H LYS A 113 0.561 8.816 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.170 11.309 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.077 9.276 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.671 8.787 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.080 10.925 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.597 11.197 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.638 8.458 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.814 9.740 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.107 9.430 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.773 10.563 -12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.353 8.627 -13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.232 8.685 -12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.535 7.597 -12.580 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.064 12.588 -8.183 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.546 13.408 -7.086 1.00 0.00 C ATOM 1790 C ARG A 114 -2.698 12.706 -6.364 1.00 0.00 C ATOM 1791 O ARG A 114 -3.414 11.905 -6.963 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.024 14.773 -7.587 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.921 15.824 -7.450 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.194 16.033 -8.780 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.885 17.073 -9.575 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.905 18.374 -9.255 1.00 0.00 C ATOM 1797 NH1 ARG A 114 -0.274 18.802 -8.153 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.557 19.246 -10.035 1.00 0.00 N ATOM 0 H ARG A 114 -0.835 13.104 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.716 13.557 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.329 14.695 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.901 15.085 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.352 16.767 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.208 15.511 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.839 16.329 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.163 15.097 -9.338 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.377 16.781 -10.419 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.221 18.138 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.289 19.792 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.039 18.920 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.572 20.236 -9.791 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.841 13.032 -5.088 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.893 12.442 -4.278 1.00 0.00 C ATOM 1814 C GLY A 115 -5.263 13.002 -4.667 1.00 0.00 C ATOM 1815 O GLY A 115 -6.175 12.246 -5.000 1.00 0.00 O ATOM 0 H GLY A 115 -2.246 13.697 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.890 11.359 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.700 12.641 -3.224 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.367 14.357 -4.610 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.610 15.026 -4.952 1.00 0.00 C ATOM 1821 C PRO A 116 -6.828 15.039 -6.467 1.00 0.00 C ATOM 1822 O PRO A 116 -7.345 16.010 -7.016 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.482 16.420 -4.360 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.998 16.634 -4.113 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.309 15.283 -4.220 1.00 0.00 C ATOM 0 HA PRO A 116 -7.486 14.515 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.876 17.172 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.048 16.504 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.586 17.332 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.834 17.069 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.509 15.304 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.858 14.992 -3.271 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.422 13.947 -7.100 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.566 13.820 -8.540 1.00 0.00 C ATOM 1835 C ARG A 117 -6.931 12.382 -8.912 1.00 0.00 C ATOM 1836 O ARG A 117 -6.781 11.977 -10.063 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.273 14.213 -9.259 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.999 15.711 -9.115 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.003 16.403 -10.479 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.818 17.861 -10.307 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.796 18.706 -9.954 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -7.034 18.243 -9.734 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.537 20.014 -9.822 1.00 0.00 N ATOM 0 H ARG A 117 -5.994 13.143 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.363 14.494 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.438 13.646 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.346 13.953 -10.315 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.755 16.162 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.035 15.863 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.207 15.998 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.943 16.206 -10.993 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.888 18.247 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -7.232 17.247 -9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.779 18.886 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.595 20.367 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.282 20.657 -9.553 1.00 0.00 H new ATOM 1857 N THR A 118 -7.406 11.649 -7.915 1.00 0.00 N ATOM 1858 CA THR A 118 -7.794 10.265 -8.123 1.00 0.00 C ATOM 1859 C THR A 118 -9.283 10.078 -7.824 1.00 0.00 C ATOM 1860 O THR A 118 -9.917 10.955 -7.239 1.00 0.00 O ATOM 1861 CB THR A 118 -6.886 9.384 -7.262 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.704 10.138 -6.066 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.476 9.256 -7.840 1.00 0.00 C ATOM 0 H THR A 118 -7.531 11.988 -6.961 1.00 0.00 H new ATOM 0 HA THR A 118 -7.664 9.970 -9.164 1.00 0.00 H new ATOM 0 HB THR A 118 -7.329 8.393 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.999 10.804 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.873 8.621 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.529 8.812 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.019 10.243 -7.907 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.798 8.929 -8.238 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.200 8.616 -8.021 1.00 0.00 C ATOM 1873 C HIS A 119 -11.455 7.146 -8.358 1.00 0.00 C ATOM 1874 O HIS A 119 -10.615 6.491 -8.973 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.098 9.570 -8.811 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.766 10.627 -7.965 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.409 10.338 -6.774 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.883 11.974 -8.149 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.889 11.467 -6.273 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.562 12.479 -7.127 1.00 0.00 N ATOM 0 H HIS A 119 -9.269 8.204 -8.723 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.451 8.761 -6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.502 10.059 -9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.866 8.990 -9.322 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.490 12.534 -8.985 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.442 11.568 -5.351 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.800 13.463 -7.001 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.619 6.670 -7.942 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.996 5.289 -8.191 1.00 0.00 C ATOM 1890 C TYR A 120 -13.351 5.076 -9.664 1.00 0.00 C ATOM 1891 O TYR A 120 -14.090 5.866 -10.249 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.239 5.030 -7.337 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.624 3.553 -7.231 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.688 2.623 -6.828 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.908 3.151 -7.540 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -14.051 1.233 -6.728 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.271 1.761 -7.440 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.324 0.870 -7.040 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.667 -0.442 -6.946 1.00 0.00 O ATOM 0 H TYR A 120 -13.314 7.217 -7.434 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.174 4.616 -7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.067 5.423 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.078 5.584 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.683 2.937 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.640 3.879 -7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.328 0.495 -6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.272 1.433 -7.677 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.607 -0.553 -7.198 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.808 4.003 -10.221 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.058 3.676 -11.615 1.00 0.00 C ATOM 1911 C GLY A 121 -11.758 3.677 -12.420 1.00 0.00 C ATOM 1912 O GLY A 121 -11.656 3.000 -13.442 1.00 0.00 O ATOM 0 H GLY A 121 -12.196 3.349 -9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.531 2.696 -11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.755 4.397 -12.042 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.796 4.445 -11.930 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.506 4.543 -12.591 1.00 0.00 C ATOM 1918 C GLN A 122 -8.671 3.292 -12.314 1.00 0.00 C ATOM 1919 O GLN A 122 -8.800 2.676 -11.257 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.761 5.807 -12.156 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.519 7.065 -12.585 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.677 8.320 -12.346 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.859 8.714 -13.161 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.923 8.923 -11.186 1.00 0.00 N ATOM 0 H GLN A 122 -10.884 5.006 -11.082 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.675 4.612 -13.666 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.636 5.805 -11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.762 5.813 -12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.781 6.994 -13.641 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.454 7.138 -12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.622 8.539 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.413 9.769 -10.933 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.832 2.952 -13.282 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.976 1.785 -13.155 1.00 0.00 C ATOM 1935 C LYS A 123 -5.624 2.210 -12.578 1.00 0.00 C ATOM 1936 O LYS A 123 -4.610 1.556 -12.817 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.869 1.051 -14.494 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.735 -0.458 -14.282 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.124 -1.132 -15.511 1.00 0.00 C ATOM 1940 CE LYS A 123 -6.582 -2.588 -15.624 1.00 0.00 C ATOM 1941 NZ LYS A 123 -6.009 -3.220 -16.833 1.00 0.00 N ATOM 0 H LYS A 123 -7.727 3.465 -14.158 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.410 1.068 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.751 1.260 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.007 1.422 -15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.112 -0.652 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.715 -0.888 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.411 -0.586 -16.410 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.036 -1.093 -15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.275 -3.142 -14.737 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.670 -2.631 -15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.330 -4.207 -16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -6.323 -2.701 -17.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.971 -3.196 -16.778 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.654 3.302 -11.829 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.443 3.822 -11.215 1.00 0.00 C ATOM 1957 C ALA A 124 -4.407 3.411 -9.742 1.00 0.00 C ATOM 1958 O ALA A 124 -3.388 2.925 -9.254 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.389 5.340 -11.399 1.00 0.00 C ATOM 0 H ALA A 124 -6.497 3.841 -11.633 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.558 3.404 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.481 5.730 -10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.388 5.578 -12.463 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.260 5.795 -10.927 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.531 3.623 -9.073 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.641 3.281 -7.665 1.00 0.00 C ATOM 1967 C ILE A 125 -5.365 1.787 -7.485 1.00 0.00 C ATOM 1968 O ILE A 125 -4.756 1.379 -6.498 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.994 3.728 -7.109 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.108 2.774 -7.544 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.295 5.177 -7.498 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.466 3.238 -7.012 1.00 0.00 C ATOM 0 H ILE A 125 -6.374 4.028 -9.480 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.891 3.817 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.945 3.690 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.139 2.718 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.894 1.769 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.263 5.470 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.520 5.830 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.317 5.265 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.240 2.543 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.439 3.270 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.687 4.233 -7.398 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.828 1.011 -8.455 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.639 -0.429 -8.415 1.00 0.00 C ATOM 1986 C LEU A 126 -4.149 -0.740 -8.266 1.00 0.00 C ATOM 1987 O LEU A 126 -3.328 -0.247 -9.038 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.285 -1.088 -9.636 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.751 -0.733 -9.892 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.244 -1.350 -11.203 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.628 -1.137 -8.704 1.00 0.00 C ATOM 0 H LEU A 126 -6.333 1.353 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.142 -0.855 -7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.706 -0.817 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.208 -2.169 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.827 0.349 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.289 -1.082 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.644 -0.973 -12.031 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.151 -2.435 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.665 -0.874 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.552 -2.213 -8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.293 -0.613 -7.809 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.844 -1.555 -7.267 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.467 -1.938 -7.006 1.00 0.00 C ATOM 2005 C PHE A 127 -2.366 -3.425 -6.663 1.00 0.00 C ATOM 2006 O PHE A 127 -3.270 -3.986 -6.046 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.994 -1.116 -5.805 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.162 0.112 -6.180 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.274 0.044 -7.208 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -1.310 1.272 -5.485 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.498 1.184 -7.556 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.538 2.411 -5.833 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.350 2.343 -6.861 1.00 0.00 C ATOM 0 H PHE A 127 -4.528 -1.961 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.857 -1.755 -7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.864 -0.792 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.403 -1.756 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.156 -0.877 -7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.015 1.326 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.203 1.130 -8.373 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.656 3.332 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.938 3.210 -7.125 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.258 -4.022 -7.077 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.028 -5.434 -6.822 1.00 0.00 C ATOM 2025 C LEU A 128 0.392 -5.625 -6.283 1.00 0.00 C ATOM 2026 O LEU A 128 1.367 -5.372 -6.989 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.327 -6.261 -8.073 1.00 0.00 C ATOM 2028 CG LEU A 128 -1.944 -7.640 -7.834 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.074 -7.564 -6.805 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.408 -8.269 -9.149 1.00 0.00 C ATOM 0 H LEU A 128 -0.509 -3.553 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.713 -5.799 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.001 -5.689 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.398 -6.392 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.174 -8.291 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.496 -8.558 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.681 -7.189 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.851 -6.891 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.843 -9.249 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -3.156 -7.628 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.556 -8.379 -9.820 1.00 0.00 H new ATOM 2042 N PRO A 129 0.465 -6.081 -5.004 1.00 0.00 N ATOM 2043 CA PRO A 129 1.748 -6.309 -4.363 1.00 0.00 C ATOM 2044 C PRO A 129 2.407 -7.585 -4.892 1.00 0.00 C ATOM 2045 O PRO A 129 1.947 -8.689 -4.607 1.00 0.00 O ATOM 2046 CB PRO A 129 1.440 -6.373 -2.876 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.053 -6.644 -2.771 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.669 -6.391 -4.138 1.00 0.00 C ATOM 0 HA PRO A 129 2.469 -5.519 -4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.015 -7.162 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.703 -5.438 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.233 -7.672 -2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.507 -5.996 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.213 -7.266 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.380 -5.565 -4.105 1.00 0.00 H new ATOM 2056 N LEU A 130 3.473 -7.389 -5.654 1.00 0.00 N ATOM 2057 CA LEU A 130 4.200 -8.510 -6.226 1.00 0.00 C ATOM 2058 C LEU A 130 5.320 -8.927 -5.271 1.00 0.00 C ATOM 2059 O LEU A 130 6.066 -8.082 -4.777 1.00 0.00 O ATOM 2060 CB LEU A 130 4.688 -8.169 -7.635 1.00 0.00 C ATOM 2061 CG LEU A 130 3.627 -8.195 -8.737 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.762 -9.453 -8.637 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.784 -6.918 -8.717 1.00 0.00 C ATOM 0 H LEU A 130 3.851 -6.471 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 130 3.542 -9.372 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.136 -7.175 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.479 -8.869 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 130 4.137 -8.230 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.016 -9.446 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.392 -10.337 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.261 -9.474 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.038 -6.962 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.284 -6.827 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.429 -6.054 -8.874 1.00 0.00 H new ATOM 2075 N PRO A 131 5.406 -10.263 -5.034 1.00 0.00 N ATOM 2076 CA PRO A 131 6.423 -10.802 -4.147 1.00 0.00 C ATOM 2077 C PRO A 131 7.796 -10.799 -4.821 1.00 0.00 C ATOM 2078 O PRO A 131 8.071 -11.634 -5.682 1.00 0.00 O ATOM 2079 CB PRO A 131 5.938 -12.199 -3.794 1.00 0.00 C ATOM 2080 CG PRO A 131 4.913 -12.564 -4.856 1.00 0.00 C ATOM 2081 CD PRO A 131 4.540 -11.293 -5.601 1.00 0.00 C ATOM 0 HA PRO A 131 6.556 -10.202 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.764 -12.910 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.494 -12.219 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.323 -13.303 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.031 -13.010 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.702 -11.401 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.488 -11.046 -5.461 1.00 0.00 H new ATOM 2089 N VAL A 132 8.622 -9.850 -4.405 1.00 0.00 N ATOM 2090 CA VAL A 132 9.960 -9.727 -4.958 1.00 0.00 C ATOM 2091 C VAL A 132 10.890 -10.720 -4.257 1.00 0.00 C ATOM 2092 O VAL A 132 12.043 -10.881 -4.653 1.00 0.00 O ATOM 2093 CB VAL A 132 10.440 -8.279 -4.849 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.798 -7.927 -3.404 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.623 -8.021 -5.785 1.00 0.00 C ATOM 0 H VAL A 132 8.390 -9.159 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 132 9.959 -9.976 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 132 9.620 -7.631 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 132 11.136 -6.892 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.920 -8.052 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.594 -8.586 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.945 -6.984 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.448 -8.683 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.321 -8.212 -6.815 1.00 0.00 H new