USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 12 MET CE :methyl 160:sc= -0.164 (180deg=-0.611) USER MOD Set 1.2: A 68 THR OG1 : rot 138:sc= 1.29 USER MOD Set 2.1: A 37 THR OG1 : rot -112:sc= 0.372 USER MOD Set 2.2: A 69 THR OG1 : rot 24:sc= 0.63 USER MOD Set 3.1: A 19 GLN : amide:sc= 3.44 K(o=5.5,f=-13!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -129:sc= 2.06 (180deg=-0.438) USER MOD Single : A 13 TYR OH : rot 166:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00888 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 93:sc= 1.2 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00216 USER MOD Single : A 35 ASN : amide:sc= -0.374 K(o=-0.37,f=-3.5!) USER MOD Single : A 38 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 161:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0.033 USER MOD Single : A 50 SER OG : rot -120:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0051 USER MOD Single : A 67 SER OG : rot 24:sc= 0.0269 USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= -0.213 (180deg=-0.698) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -115:sc= -0.539 (180deg=-1.93) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.56) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= -0.0891 (180deg=-0.426) USER MOD Single : A 110 SER OG : rot -170:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.0932 X(o=0.093,f=0) USER MOD Single : A 127 TYR OH : rot -174:sc= 1.08 USER MOD Single : A 128 TYR OH : rot 15:sc= -0.59 USER MOD Single : A 129 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 20.439 6.901 -2.038 1.00 0.00 N ATOM 110 CA GLY A 10 19.009 7.038 -2.204 1.00 0.00 C ATOM 111 C GLY A 10 18.387 7.131 -0.812 1.00 0.00 C ATOM 112 O GLY A 10 18.816 7.950 0.008 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.775 7.928 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.604 6.185 -2.748 1.00 0.00 H new ATOM 116 N ALA A 11 17.407 6.276 -0.532 1.00 0.00 N ATOM 117 CA ALA A 11 16.686 6.165 0.732 1.00 0.00 C ATOM 118 C ALA A 11 16.194 4.718 0.893 1.00 0.00 C ATOM 119 O ALA A 11 16.486 3.859 0.065 1.00 0.00 O ATOM 120 CB ALA A 11 15.508 7.161 0.732 1.00 0.00 C ATOM 0 H ALA A 11 17.076 5.602 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 11 17.337 6.408 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.965 7.083 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.889 8.176 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.836 6.929 -0.094 1.00 0.00 H new ATOM 126 N MET A 12 15.429 4.443 1.946 1.00 0.00 N ATOM 127 CA MET A 12 14.482 3.334 2.014 1.00 0.00 C ATOM 128 C MET A 12 13.087 3.931 1.830 1.00 0.00 C ATOM 129 O MET A 12 12.939 5.148 1.994 1.00 0.00 O ATOM 130 CB MET A 12 14.542 2.644 3.384 1.00 0.00 C ATOM 131 CG MET A 12 15.945 2.191 3.783 1.00 0.00 C ATOM 132 SD MET A 12 16.040 1.081 5.210 1.00 0.00 S ATOM 133 CE MET A 12 15.067 -0.336 4.623 1.00 0.00 C ATOM 0 H MET A 12 15.451 5.001 2.799 1.00 0.00 H new ATOM 0 HA MET A 12 14.719 2.595 1.249 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.161 3.328 4.142 1.00 0.00 H new ATOM 0 HB3 MET A 12 13.879 1.779 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.402 1.693 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 12 16.545 3.076 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.318 -1.219 5.211 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.005 -0.118 4.732 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.294 -0.523 3.573 1.00 0.00 H new ATOM 143 N TYR A 13 12.081 3.092 1.588 1.00 0.00 N ATOM 144 CA TYR A 13 10.674 3.461 1.615 1.00 0.00 C ATOM 145 C TYR A 13 9.919 2.394 2.415 1.00 0.00 C ATOM 146 O TYR A 13 10.352 1.240 2.491 1.00 0.00 O ATOM 147 CB TYR A 13 10.119 3.578 0.187 1.00 0.00 C ATOM 148 CG TYR A 13 10.654 4.708 -0.684 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.428 6.046 -0.309 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.253 4.431 -1.933 1.00 0.00 C ATOM 151 CE1 TYR A 13 10.786 7.096 -1.174 1.00 0.00 C ATOM 152 CE2 TYR A 13 11.594 5.475 -2.817 1.00 0.00 C ATOM 153 CZ TYR A 13 11.364 6.817 -2.434 1.00 0.00 C ATOM 154 OH TYR A 13 11.669 7.852 -3.266 1.00 0.00 O ATOM 0 H TYR A 13 12.231 2.109 1.362 1.00 0.00 H new ATOM 0 HA TYR A 13 10.548 4.434 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.312 2.636 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.037 3.689 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.978 6.267 0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.452 3.407 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.619 8.120 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.028 5.251 -3.780 1.00 0.00 H new ATOM 0 HH TYR A 13 12.254 7.533 -3.985 1.00 0.00 H new ATOM 164 N GLU A 14 8.790 2.776 3.006 1.00 0.00 N ATOM 165 CA GLU A 14 7.936 1.943 3.845 1.00 0.00 C ATOM 166 C GLU A 14 6.507 2.467 3.614 1.00 0.00 C ATOM 167 O GLU A 14 6.341 3.652 3.350 1.00 0.00 O ATOM 168 CB GLU A 14 8.479 2.074 5.285 1.00 0.00 C ATOM 169 CG GLU A 14 7.600 1.550 6.423 1.00 0.00 C ATOM 170 CD GLU A 14 8.264 1.678 7.806 1.00 0.00 C ATOM 171 OE1 GLU A 14 8.871 2.731 8.118 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.098 0.765 8.652 1.00 0.00 O ATOM 0 H GLU A 14 8.428 3.725 2.907 1.00 0.00 H new ATOM 0 HA GLU A 14 7.927 0.876 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.436 1.554 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.680 3.129 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.657 2.097 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.361 0.503 6.237 1.00 0.00 H new ATOM 179 N VAL A 15 5.480 1.620 3.620 1.00 0.00 N ATOM 180 CA VAL A 15 4.056 1.949 3.464 1.00 0.00 C ATOM 181 C VAL A 15 3.296 1.058 4.440 1.00 0.00 C ATOM 182 O VAL A 15 3.589 -0.134 4.559 1.00 0.00 O ATOM 183 CB VAL A 15 3.613 1.704 2.000 1.00 0.00 C ATOM 184 CG1 VAL A 15 3.631 0.225 1.586 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.216 2.280 1.731 1.00 0.00 C ATOM 0 H VAL A 15 5.625 0.618 3.742 1.00 0.00 H new ATOM 0 HA VAL A 15 3.856 2.999 3.680 1.00 0.00 H new ATOM 0 HB VAL A 15 4.355 2.224 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.309 0.134 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.642 -0.169 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.955 -0.341 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.937 2.090 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.493 1.805 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.224 3.355 1.913 1.00 0.00 H new ATOM 195 N THR A 16 2.363 1.617 5.189 1.00 0.00 N ATOM 196 CA THR A 16 1.526 0.858 6.106 1.00 0.00 C ATOM 197 C THR A 16 0.220 0.490 5.390 1.00 0.00 C ATOM 198 O THR A 16 -0.012 0.927 4.256 1.00 0.00 O ATOM 199 CB THR A 16 1.390 1.641 7.435 1.00 0.00 C ATOM 200 OG1 THR A 16 1.315 3.048 7.250 1.00 0.00 O ATOM 201 CG2 THR A 16 2.610 1.442 8.345 1.00 0.00 C ATOM 0 H THR A 16 2.162 2.617 5.180 1.00 0.00 H new ATOM 0 HA THR A 16 1.967 -0.096 6.395 1.00 0.00 H new ATOM 0 HB THR A 16 0.472 1.249 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.229 3.488 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.473 2.009 9.266 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.718 0.384 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.506 1.792 7.833 1.00 0.00 H new ATOM 209 N ILE A 17 -0.606 -0.356 6.002 1.00 0.00 N ATOM 210 CA ILE A 17 -2.014 -0.467 5.659 1.00 0.00 C ATOM 211 C ILE A 17 -2.775 -0.448 6.979 1.00 0.00 C ATOM 212 O ILE A 17 -2.290 -1.002 7.969 1.00 0.00 O ATOM 213 CB ILE A 17 -2.271 -1.752 4.827 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.660 -1.810 4.166 1.00 0.00 C ATOM 215 CG2 ILE A 17 -2.154 -3.032 5.661 1.00 0.00 C ATOM 216 CD1 ILE A 17 -3.845 -0.723 3.122 1.00 0.00 C ATOM 0 H ILE A 17 -0.313 -0.983 6.751 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.352 0.356 5.029 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.496 -1.699 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.798 -2.786 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.429 -1.710 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.344 -3.898 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.150 -3.102 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.885 -3.007 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.840 -0.805 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.734 0.255 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.094 -0.837 2.341 1.00 0.00 H new ATOM 228 N GLU A 18 -3.973 0.124 6.997 1.00 0.00 N ATOM 229 CA GLU A 18 -4.951 -0.116 8.043 1.00 0.00 C ATOM 230 C GLU A 18 -6.286 -0.302 7.332 1.00 0.00 C ATOM 231 O GLU A 18 -6.755 0.624 6.655 1.00 0.00 O ATOM 232 CB GLU A 18 -5.066 1.078 8.995 1.00 0.00 C ATOM 233 CG GLU A 18 -3.812 1.460 9.791 1.00 0.00 C ATOM 234 CD GLU A 18 -3.956 2.826 10.470 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.079 3.264 10.815 1.00 0.00 O ATOM 236 OE2 GLU A 18 -2.921 3.493 10.700 1.00 0.00 O ATOM 0 H GLU A 18 -4.293 0.773 6.278 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.659 -0.982 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.375 1.946 8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.867 0.869 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.616 0.699 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.950 1.476 9.124 1.00 0.00 H new ATOM 243 N GLN A 19 -6.889 -1.482 7.461 1.00 0.00 N ATOM 244 CA GLN A 19 -8.221 -1.761 6.953 1.00 0.00 C ATOM 245 C GLN A 19 -9.177 -1.840 8.134 1.00 0.00 C ATOM 246 O GLN A 19 -8.929 -2.585 9.087 1.00 0.00 O ATOM 247 CB GLN A 19 -8.236 -3.082 6.178 1.00 0.00 C ATOM 248 CG GLN A 19 -7.300 -3.067 4.969 1.00 0.00 C ATOM 249 CD GLN A 19 -7.644 -4.182 3.991 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.162 -3.947 2.903 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.393 -5.421 4.349 1.00 0.00 N ATOM 0 H GLN A 19 -6.456 -2.279 7.928 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.527 -0.967 6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.947 -3.894 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.252 -3.291 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.369 -2.103 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.269 -3.179 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.963 -5.613 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.629 -6.191 3.722 1.00 0.00 H new ATOM 260 N SER A 20 -10.288 -1.109 8.077 1.00 0.00 N ATOM 261 CA SER A 20 -11.345 -1.258 9.060 1.00 0.00 C ATOM 262 C SER A 20 -12.706 -0.965 8.456 1.00 0.00 C ATOM 263 O SER A 20 -12.803 -0.390 7.368 1.00 0.00 O ATOM 264 CB SER A 20 -11.064 -0.365 10.274 1.00 0.00 C ATOM 265 OG SER A 20 -10.943 1.007 9.921 1.00 0.00 O ATOM 0 H SER A 20 -10.474 -0.409 7.359 1.00 0.00 H new ATOM 0 HA SER A 20 -11.363 -2.295 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.868 -0.481 11.001 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.146 -0.695 10.760 1.00 0.00 H new ATOM 0 HG SER A 20 -10.766 1.537 10.726 1.00 0.00 H new ATOM 271 N GLY A 21 -13.747 -1.305 9.205 1.00 0.00 N ATOM 272 CA GLY A 21 -15.124 -1.299 8.760 1.00 0.00 C ATOM 273 C GLY A 21 -15.336 -2.554 7.932 1.00 0.00 C ATOM 274 O GLY A 21 -15.220 -3.666 8.453 1.00 0.00 O ATOM 0 H GLY A 21 -13.646 -1.603 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.803 -1.282 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.333 -0.408 8.168 1.00 0.00 H new ATOM 278 N ASP A 22 -15.600 -2.399 6.640 1.00 0.00 N ATOM 279 CA ASP A 22 -15.935 -3.508 5.758 1.00 0.00 C ATOM 280 C ASP A 22 -14.876 -3.677 4.681 1.00 0.00 C ATOM 281 O ASP A 22 -14.928 -3.069 3.617 1.00 0.00 O ATOM 282 CB ASP A 22 -17.330 -3.320 5.181 1.00 0.00 C ATOM 283 CG ASP A 22 -17.852 -4.647 4.636 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.131 -5.375 3.918 1.00 0.00 O ATOM 285 OD2 ASP A 22 -18.955 -5.075 5.055 1.00 0.00 O ATOM 0 H ASP A 22 -15.587 -1.493 6.172 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.947 -4.433 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.003 -2.943 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.306 -2.575 4.386 1.00 0.00 H new ATOM 290 N PHE A 23 -13.870 -4.492 4.976 1.00 0.00 N ATOM 291 CA PHE A 23 -12.759 -4.732 4.068 1.00 0.00 C ATOM 292 C PHE A 23 -12.887 -6.078 3.350 1.00 0.00 C ATOM 293 O PHE A 23 -11.882 -6.625 2.906 1.00 0.00 O ATOM 294 CB PHE A 23 -11.438 -4.527 4.817 1.00 0.00 C ATOM 295 CG PHE A 23 -11.205 -5.407 6.033 1.00 0.00 C ATOM 296 CD1 PHE A 23 -10.595 -6.669 5.896 1.00 0.00 C ATOM 297 CD2 PHE A 23 -11.559 -4.942 7.315 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.332 -7.455 7.031 1.00 0.00 C ATOM 299 CE2 PHE A 23 -11.293 -5.726 8.451 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.672 -6.979 8.309 1.00 0.00 C ATOM 0 H PHE A 23 -13.803 -5.006 5.855 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.778 -4.002 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.619 -4.690 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.384 -3.486 5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.328 -7.034 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.037 -3.980 7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.869 -8.424 6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.566 -5.366 9.432 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.456 -7.576 9.182 1.00 0.00 H new ATOM 310 N ARG A 24 -14.098 -6.639 3.257 1.00 0.00 N ATOM 311 CA ARG A 24 -14.367 -7.999 2.830 1.00 0.00 C ATOM 312 C ARG A 24 -15.500 -8.072 1.794 1.00 0.00 C ATOM 313 O ARG A 24 -16.131 -9.120 1.632 1.00 0.00 O ATOM 314 CB ARG A 24 -14.563 -8.847 4.091 1.00 0.00 C ATOM 315 CG ARG A 24 -15.471 -8.299 5.189 1.00 0.00 C ATOM 316 CD ARG A 24 -16.945 -8.473 4.832 1.00 0.00 C ATOM 317 NE ARG A 24 -17.795 -7.604 5.633 1.00 0.00 N ATOM 318 CZ ARG A 24 -18.195 -7.752 6.891 1.00 0.00 C ATOM 319 NH1 ARG A 24 -17.858 -8.828 7.605 1.00 0.00 N ATOM 320 NH2 ARG A 24 -18.935 -6.774 7.395 1.00 0.00 N ATOM 0 H ARG A 24 -14.949 -6.127 3.490 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.524 -8.417 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.957 -9.816 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.581 -9.027 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.260 -8.812 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.256 -7.242 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.093 -8.254 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.237 -9.512 4.986 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.130 -6.764 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.282 -9.558 7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.177 -8.920 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.168 -5.963 6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.271 -6.832 8.356 1.00 0.00 H new ATOM 334 N SER A 25 -15.804 -6.949 1.138 1.00 0.00 N ATOM 335 CA SER A 25 -16.935 -6.783 0.225 1.00 0.00 C ATOM 336 C SER A 25 -16.568 -6.065 -1.077 1.00 0.00 C ATOM 337 O SER A 25 -17.444 -5.849 -1.910 1.00 0.00 O ATOM 338 CB SER A 25 -18.012 -5.955 0.928 1.00 0.00 C ATOM 339 OG SER A 25 -18.488 -6.611 2.087 1.00 0.00 O ATOM 0 H SER A 25 -15.248 -6.099 1.233 1.00 0.00 H new ATOM 0 HA SER A 25 -17.279 -7.784 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.606 -4.981 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.841 -5.775 0.243 1.00 0.00 H new ATOM 0 HG SER A 25 -17.980 -6.305 2.868 1.00 0.00 H new ATOM 345 N PHE A 26 -15.313 -5.648 -1.248 1.00 0.00 N ATOM 346 CA PHE A 26 -14.870 -4.800 -2.349 1.00 0.00 C ATOM 347 C PHE A 26 -13.815 -5.564 -3.150 1.00 0.00 C ATOM 348 O PHE A 26 -13.591 -6.747 -2.888 1.00 0.00 O ATOM 349 CB PHE A 26 -14.397 -3.445 -1.784 1.00 0.00 C ATOM 350 CG PHE A 26 -15.459 -2.671 -1.011 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.345 -1.809 -1.685 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.602 -2.838 0.379 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.407 -1.192 -1.002 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.648 -2.201 1.069 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.563 -1.397 0.376 1.00 0.00 C ATOM 0 H PHE A 26 -14.560 -5.898 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.676 -4.564 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.544 -3.618 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.044 -2.826 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.207 -1.620 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.903 -3.460 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.101 -0.561 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.747 -2.332 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.386 -0.937 0.902 1.00 0.00 H new ATOM 365 N ILE A 27 -13.194 -4.922 -4.141 1.00 0.00 N ATOM 366 CA ILE A 27 -12.172 -5.529 -4.982 1.00 0.00 C ATOM 367 C ILE A 27 -10.987 -4.566 -4.992 1.00 0.00 C ATOM 368 O ILE A 27 -10.859 -3.728 -5.887 1.00 0.00 O ATOM 369 CB ILE A 27 -12.721 -5.852 -6.392 1.00 0.00 C ATOM 370 CG1 ILE A 27 -14.001 -6.727 -6.381 1.00 0.00 C ATOM 371 CG2 ILE A 27 -11.631 -6.622 -7.165 1.00 0.00 C ATOM 372 CD1 ILE A 27 -15.310 -5.929 -6.364 1.00 0.00 C ATOM 0 H ILE A 27 -13.393 -3.951 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.849 -6.494 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.984 -4.901 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.994 -7.372 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.975 -7.378 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.994 -6.862 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.736 -6.005 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.392 -7.544 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.155 -6.617 -6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.344 -5.304 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.363 -5.298 -7.251 1.00 0.00 H new ATOM 384 N LYS A 28 -10.163 -4.608 -3.945 1.00 0.00 N ATOM 385 CA LYS A 28 -8.974 -3.761 -3.852 1.00 0.00 C ATOM 386 C LYS A 28 -7.834 -4.370 -4.656 1.00 0.00 C ATOM 387 O LYS A 28 -7.830 -5.566 -4.954 1.00 0.00 O ATOM 388 CB LYS A 28 -8.604 -3.509 -2.381 1.00 0.00 C ATOM 389 CG LYS A 28 -8.141 -4.773 -1.641 1.00 0.00 C ATOM 390 CD LYS A 28 -8.501 -4.759 -0.147 1.00 0.00 C ATOM 391 CE LYS A 28 -9.112 -6.104 0.254 1.00 0.00 C ATOM 392 NZ LYS A 28 -9.505 -6.143 1.668 1.00 0.00 N ATOM 0 H LYS A 28 -10.299 -5.224 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.186 -2.785 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.812 -2.761 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.467 -3.090 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.592 -5.648 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.061 -4.875 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.610 -4.562 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.206 -3.954 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.985 -6.303 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.393 -6.899 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.104 -6.991 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.148 -5.294 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.542 -6.171 1.739 1.00 0.00 H new ATOM 406 N SER A 29 -6.825 -3.565 -4.966 1.00 0.00 N ATOM 407 CA SER A 29 -5.584 -4.046 -5.566 1.00 0.00 C ATOM 408 C SER A 29 -4.421 -3.202 -5.029 1.00 0.00 C ATOM 409 O SER A 29 -4.645 -2.071 -4.582 1.00 0.00 O ATOM 410 CB SER A 29 -5.693 -3.987 -7.101 1.00 0.00 C ATOM 411 OG SER A 29 -6.891 -4.585 -7.588 1.00 0.00 O ATOM 0 H SER A 29 -6.843 -2.557 -4.808 1.00 0.00 H new ATOM 0 HA SER A 29 -5.400 -5.087 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.653 -2.947 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.834 -4.492 -7.542 1.00 0.00 H new ATOM 0 HG SER A 29 -6.914 -4.521 -8.566 1.00 0.00 H new ATOM 417 N VAL A 30 -3.189 -3.719 -5.077 1.00 0.00 N ATOM 418 CA VAL A 30 -1.976 -3.021 -4.664 1.00 0.00 C ATOM 419 C VAL A 30 -0.863 -3.411 -5.639 1.00 0.00 C ATOM 420 O VAL A 30 -0.361 -4.533 -5.582 1.00 0.00 O ATOM 421 CB VAL A 30 -1.613 -3.360 -3.197 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.331 -2.645 -2.760 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.695 -2.961 -2.186 1.00 0.00 C ATOM 0 H VAL A 30 -3.007 -4.664 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.124 -1.942 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.495 -4.444 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.104 -2.904 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.495 -2.954 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.470 -1.567 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.370 -3.229 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.863 -1.885 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.622 -3.484 -2.420 1.00 0.00 H new ATOM 433 N VAL A 31 -0.479 -2.507 -6.545 1.00 0.00 N ATOM 434 CA VAL A 31 0.831 -2.601 -7.197 1.00 0.00 C ATOM 435 C VAL A 31 1.917 -2.319 -6.150 1.00 0.00 C ATOM 436 O VAL A 31 1.701 -1.526 -5.226 1.00 0.00 O ATOM 437 CB VAL A 31 0.913 -1.670 -8.440 1.00 0.00 C ATOM 438 CG1 VAL A 31 0.419 -0.244 -8.183 1.00 0.00 C ATOM 439 CG2 VAL A 31 2.320 -1.549 -9.053 1.00 0.00 C ATOM 0 H VAL A 31 -1.047 -1.713 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 31 0.989 -3.607 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 31 0.250 -2.177 -9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.508 0.342 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.625 -0.271 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.021 0.214 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.286 -0.882 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.008 -1.147 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.664 -2.533 -9.370 1.00 0.00 H new ATOM 449 N VAL A 32 3.087 -2.938 -6.320 1.00 0.00 N ATOM 450 CA VAL A 32 4.289 -2.673 -5.549 1.00 0.00 C ATOM 451 C VAL A 32 5.490 -2.758 -6.492 1.00 0.00 C ATOM 452 O VAL A 32 5.537 -3.640 -7.354 1.00 0.00 O ATOM 453 CB VAL A 32 4.464 -3.695 -4.405 1.00 0.00 C ATOM 454 CG1 VAL A 32 5.387 -3.077 -3.353 1.00 0.00 C ATOM 455 CG2 VAL A 32 3.171 -4.140 -3.704 1.00 0.00 C ATOM 0 H VAL A 32 3.221 -3.662 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 32 4.211 -1.682 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 32 4.870 -4.593 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.527 -3.781 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.353 -2.850 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.940 -2.159 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.411 -4.857 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.678 -3.273 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.505 -4.607 -4.430 1.00 0.00 H new ATOM 465 N VAL A 33 6.487 -1.890 -6.308 1.00 0.00 N ATOM 466 CA VAL A 33 7.770 -1.954 -6.999 1.00 0.00 C ATOM 467 C VAL A 33 8.859 -1.659 -5.963 1.00 0.00 C ATOM 468 O VAL A 33 8.633 -0.907 -5.014 1.00 0.00 O ATOM 469 CB VAL A 33 7.793 -0.963 -8.187 1.00 0.00 C ATOM 470 CG1 VAL A 33 9.107 -1.082 -8.973 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.628 -1.195 -9.167 1.00 0.00 C ATOM 0 H VAL A 33 6.420 -1.106 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 33 7.943 -2.941 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 33 7.697 0.032 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.100 -0.376 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.946 -0.859 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.209 -2.096 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.689 -0.474 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.688 -2.206 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.681 -1.069 -8.642 1.00 0.00 H new ATOM 481 N ALA A 34 10.051 -2.237 -6.137 1.00 0.00 N ATOM 482 CA ALA A 34 11.208 -1.918 -5.319 1.00 0.00 C ATOM 483 C ALA A 34 12.453 -1.888 -6.196 1.00 0.00 C ATOM 484 O ALA A 34 13.053 -2.929 -6.457 1.00 0.00 O ATOM 485 CB ALA A 34 11.328 -2.902 -4.145 1.00 0.00 C ATOM 0 H ALA A 34 10.234 -2.940 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 34 11.092 -0.928 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.201 -2.647 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.432 -2.842 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.437 -3.916 -4.530 1.00 0.00 H new ATOM 491 N ASN A 35 12.821 -0.704 -6.688 1.00 0.00 N ATOM 492 CA ASN A 35 14.030 -0.545 -7.487 1.00 0.00 C ATOM 493 C ASN A 35 15.248 -0.730 -6.590 1.00 0.00 C ATOM 494 O ASN A 35 15.588 0.185 -5.839 1.00 0.00 O ATOM 495 CB ASN A 35 14.087 0.831 -8.172 1.00 0.00 C ATOM 496 CG ASN A 35 15.301 0.985 -9.086 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.206 0.149 -9.128 1.00 0.00 O ATOM 498 ND2 ASN A 35 15.346 2.029 -9.889 1.00 0.00 N ATOM 0 H ASN A 35 12.296 0.159 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 35 14.022 -1.300 -8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.178 0.980 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.109 1.611 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.125 2.140 -10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.602 2.726 -9.862 1.00 0.00 H new ATOM 505 N GLY A 36 15.916 -1.877 -6.691 1.00 0.00 N ATOM 506 CA GLY A 36 17.249 -2.088 -6.140 1.00 0.00 C ATOM 507 C GLY A 36 17.277 -2.938 -4.872 1.00 0.00 C ATOM 508 O GLY A 36 18.337 -3.043 -4.252 1.00 0.00 O ATOM 0 H GLY A 36 15.539 -2.697 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.871 -2.565 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.698 -1.118 -5.924 1.00 0.00 H new ATOM 512 N THR A 37 16.146 -3.519 -4.469 1.00 0.00 N ATOM 513 CA THR A 37 16.001 -4.254 -3.219 1.00 0.00 C ATOM 514 C THR A 37 14.746 -5.143 -3.302 1.00 0.00 C ATOM 515 O THR A 37 14.031 -5.110 -4.308 1.00 0.00 O ATOM 516 CB THR A 37 16.017 -3.241 -2.062 1.00 0.00 C ATOM 517 OG1 THR A 37 16.018 -3.859 -0.804 1.00 0.00 O ATOM 518 CG2 THR A 37 14.825 -2.302 -2.095 1.00 0.00 C ATOM 0 H THR A 37 15.287 -3.489 -5.018 1.00 0.00 H new ATOM 0 HA THR A 37 16.827 -4.940 -3.032 1.00 0.00 H new ATOM 0 HB THR A 37 16.942 -2.682 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.166 -3.683 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.885 -1.608 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.828 -1.743 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.904 -2.880 -2.021 1.00 0.00 H new ATOM 526 N GLN A 38 14.459 -5.940 -2.270 1.00 0.00 N ATOM 527 CA GLN A 38 13.213 -6.693 -2.138 1.00 0.00 C ATOM 528 C GLN A 38 12.284 -5.941 -1.190 1.00 0.00 C ATOM 529 O GLN A 38 12.675 -4.978 -0.525 1.00 0.00 O ATOM 530 CB GLN A 38 13.506 -8.116 -1.625 1.00 0.00 C ATOM 531 CG GLN A 38 13.867 -9.072 -2.773 1.00 0.00 C ATOM 532 CD GLN A 38 14.921 -10.127 -2.423 1.00 0.00 C ATOM 533 OE1 GLN A 38 15.445 -10.215 -1.305 1.00 0.00 O ATOM 534 NE2 GLN A 38 15.296 -10.927 -3.405 1.00 0.00 N ATOM 0 H GLN A 38 15.099 -6.082 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 38 12.726 -6.788 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.326 -8.082 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.634 -8.498 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.961 -9.580 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.228 -8.484 -3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.859 -10.847 -4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.023 -11.624 -3.245 1.00 0.00 H new ATOM 543 N LEU A 39 11.037 -6.393 -1.123 1.00 0.00 N ATOM 544 CA LEU A 39 10.112 -6.024 -0.070 1.00 0.00 C ATOM 545 C LEU A 39 10.331 -6.926 1.133 1.00 0.00 C ATOM 546 O LEU A 39 10.976 -7.968 1.029 1.00 0.00 O ATOM 547 CB LEU A 39 8.679 -6.225 -0.569 1.00 0.00 C ATOM 548 CG LEU A 39 7.812 -4.986 -0.377 1.00 0.00 C ATOM 549 CD1 LEU A 39 8.295 -3.823 -1.259 1.00 0.00 C ATOM 550 CD2 LEU A 39 6.377 -5.396 -0.698 1.00 0.00 C ATOM 0 H LEU A 39 10.640 -7.034 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 39 10.276 -4.983 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.700 -6.489 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.228 -7.065 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 39 7.876 -4.620 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.656 -2.955 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.323 -3.570 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.250 -4.118 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.717 -4.538 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.321 -5.751 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.067 -6.193 -0.022 1.00 0.00 H new ATOM 562 N LYS A 40 9.697 -6.576 2.245 1.00 0.00 N ATOM 563 CA LYS A 40 9.623 -7.383 3.446 1.00 0.00 C ATOM 564 C LYS A 40 8.186 -7.367 3.937 1.00 0.00 C ATOM 565 O LYS A 40 7.652 -6.292 4.221 1.00 0.00 O ATOM 566 CB LYS A 40 10.584 -6.817 4.481 1.00 0.00 C ATOM 567 CG LYS A 40 10.656 -7.695 5.736 1.00 0.00 C ATOM 568 CD LYS A 40 11.394 -6.903 6.811 1.00 0.00 C ATOM 569 CE LYS A 40 11.373 -7.615 8.161 1.00 0.00 C ATOM 570 NZ LYS A 40 11.310 -6.626 9.257 1.00 0.00 N ATOM 0 H LYS A 40 9.203 -5.688 2.334 1.00 0.00 H new ATOM 0 HA LYS A 40 9.913 -8.416 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.578 -6.728 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.267 -5.812 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.655 -7.961 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.178 -8.628 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.427 -6.745 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.938 -5.918 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.514 -8.284 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.265 -8.232 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.296 -7.121 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.143 -6.005 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.446 -6.055 9.160 1.00 0.00 H new ATOM 584 N ASP A 41 7.566 -8.536 4.020 1.00 0.00 N ATOM 585 CA ASP A 41 6.214 -8.711 4.544 1.00 0.00 C ATOM 586 C ASP A 41 6.217 -8.454 6.049 1.00 0.00 C ATOM 587 O ASP A 41 7.026 -9.056 6.754 1.00 0.00 O ATOM 588 CB ASP A 41 5.685 -10.133 4.293 1.00 0.00 C ATOM 589 CG ASP A 41 4.156 -10.103 4.248 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.547 -9.382 5.071 1.00 0.00 O ATOM 591 OD2 ASP A 41 3.548 -10.699 3.336 1.00 0.00 O ATOM 0 H ASP A 41 7.997 -9.410 3.719 1.00 0.00 H new ATOM 0 HA ASP A 41 5.565 -8.003 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.080 -10.520 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.024 -10.804 5.082 1.00 0.00 H new ATOM 596 N GLY A 42 5.325 -7.611 6.568 1.00 0.00 N ATOM 597 CA GLY A 42 5.187 -7.407 8.003 1.00 0.00 C ATOM 598 C GLY A 42 4.303 -8.454 8.675 1.00 0.00 C ATOM 599 O GLY A 42 4.224 -8.466 9.906 1.00 0.00 O ATOM 0 H GLY A 42 4.682 -7.054 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.175 -7.425 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.769 -6.417 8.185 1.00 0.00 H new ATOM 603 N ALA A 43 3.617 -9.311 7.914 1.00 0.00 N ATOM 604 CA ALA A 43 2.868 -10.430 8.463 1.00 0.00 C ATOM 605 C ALA A 43 3.843 -11.373 9.163 1.00 0.00 C ATOM 606 O ALA A 43 3.613 -11.772 10.301 1.00 0.00 O ATOM 607 CB ALA A 43 2.113 -11.160 7.347 1.00 0.00 C ATOM 0 H ALA A 43 3.569 -9.243 6.897 1.00 0.00 H new ATOM 0 HA ALA A 43 2.133 -10.069 9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.556 -11.996 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.421 -10.470 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.824 -11.534 6.611 1.00 0.00 H new ATOM 613 N THR A 44 4.954 -11.691 8.505 1.00 0.00 N ATOM 614 CA THR A 44 5.771 -12.853 8.816 1.00 0.00 C ATOM 615 C THR A 44 7.266 -12.538 8.754 1.00 0.00 C ATOM 616 O THR A 44 8.056 -13.263 9.357 1.00 0.00 O ATOM 617 CB THR A 44 5.379 -13.989 7.846 1.00 0.00 C ATOM 618 OG1 THR A 44 4.914 -13.462 6.611 1.00 0.00 O ATOM 619 CG2 THR A 44 4.269 -14.844 8.448 1.00 0.00 C ATOM 0 H THR A 44 5.315 -11.137 7.728 1.00 0.00 H new ATOM 0 HA THR A 44 5.582 -13.167 9.843 1.00 0.00 H new ATOM 0 HB THR A 44 6.269 -14.595 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.958 -14.157 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.005 -15.640 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.614 -15.281 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.394 -14.223 8.638 1.00 0.00 H new ATOM 627 N GLY A 45 7.671 -11.425 8.139 1.00 0.00 N ATOM 628 CA GLY A 45 9.062 -11.104 7.898 1.00 0.00 C ATOM 629 C GLY A 45 9.594 -11.993 6.783 1.00 0.00 C ATOM 630 O GLY A 45 10.493 -12.797 7.028 1.00 0.00 O ATOM 0 H GLY A 45 7.024 -10.716 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.163 -10.054 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.645 -11.252 8.807 1.00 0.00 H new ATOM 634 N GLU A 46 9.043 -11.864 5.576 1.00 0.00 N ATOM 635 CA GLU A 46 9.417 -12.660 4.404 1.00 0.00 C ATOM 636 C GLU A 46 9.833 -11.706 3.289 1.00 0.00 C ATOM 637 O GLU A 46 9.214 -10.652 3.135 1.00 0.00 O ATOM 638 CB GLU A 46 8.238 -13.544 3.956 1.00 0.00 C ATOM 639 CG GLU A 46 7.758 -14.428 5.109 1.00 0.00 C ATOM 640 CD GLU A 46 6.769 -15.510 4.676 1.00 0.00 C ATOM 641 OE1 GLU A 46 7.237 -16.562 4.176 1.00 0.00 O ATOM 642 OE2 GLU A 46 5.548 -15.357 4.889 1.00 0.00 O ATOM 0 H GLU A 46 8.306 -11.187 5.380 1.00 0.00 H new ATOM 0 HA GLU A 46 10.248 -13.321 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.418 -12.916 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.543 -14.167 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.621 -14.902 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.289 -13.800 5.867 1.00 0.00 H new ATOM 649 N SER A 47 10.879 -12.043 2.533 1.00 0.00 N ATOM 650 CA SER A 47 11.370 -11.183 1.464 1.00 0.00 C ATOM 651 C SER A 47 10.512 -11.370 0.221 1.00 0.00 C ATOM 652 O SER A 47 10.536 -12.439 -0.393 1.00 0.00 O ATOM 653 CB SER A 47 12.849 -11.420 1.154 1.00 0.00 C ATOM 654 OG SER A 47 13.276 -12.749 1.404 1.00 0.00 O ATOM 0 H SER A 47 11.403 -12.911 2.645 1.00 0.00 H new ATOM 0 HA SER A 47 11.291 -10.150 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.035 -11.178 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.451 -10.735 1.752 1.00 0.00 H new ATOM 0 HG SER A 47 14.227 -12.834 1.184 1.00 0.00 H new ATOM 660 N LEU A 48 9.751 -10.346 -0.158 1.00 0.00 N ATOM 661 CA LEU A 48 8.805 -10.458 -1.260 1.00 0.00 C ATOM 662 C LEU A 48 9.441 -9.914 -2.526 1.00 0.00 C ATOM 663 O LEU A 48 9.992 -8.805 -2.554 1.00 0.00 O ATOM 664 CB LEU A 48 7.454 -9.806 -0.963 1.00 0.00 C ATOM 665 CG LEU A 48 6.894 -10.150 0.428 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.532 -9.490 0.564 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.761 -11.662 0.647 1.00 0.00 C ATOM 0 H LEU A 48 9.773 -9.427 0.285 1.00 0.00 H new ATOM 0 HA LEU A 48 8.578 -11.515 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.557 -8.724 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.736 -10.117 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 48 7.589 -9.782 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.113 -9.719 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.639 -8.410 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.866 -9.866 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.362 -11.852 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.086 -12.080 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.741 -12.131 0.554 1.00 0.00 H new ATOM 679 N ALA A 49 9.384 -10.736 -3.567 1.00 0.00 N ATOM 680 CA ALA A 49 10.085 -10.551 -4.819 1.00 0.00 C ATOM 681 C ALA A 49 9.323 -9.551 -5.687 1.00 0.00 C ATOM 682 O ALA A 49 8.577 -9.924 -6.594 1.00 0.00 O ATOM 683 CB ALA A 49 10.235 -11.915 -5.494 1.00 0.00 C ATOM 0 H ALA A 49 8.821 -11.586 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 49 11.081 -10.140 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.762 -11.796 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.802 -12.582 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.248 -12.340 -5.678 1.00 0.00 H new ATOM 689 N SER A 50 9.492 -8.267 -5.395 1.00 0.00 N ATOM 690 CA SER A 50 8.965 -7.187 -6.195 1.00 0.00 C ATOM 691 C SER A 50 9.586 -7.193 -7.608 1.00 0.00 C ATOM 692 O SER A 50 10.634 -7.821 -7.805 1.00 0.00 O ATOM 693 CB SER A 50 9.298 -5.920 -5.416 1.00 0.00 C ATOM 694 OG SER A 50 8.488 -5.855 -4.261 1.00 0.00 O ATOM 0 H SER A 50 10.011 -7.949 -4.577 1.00 0.00 H new ATOM 0 HA SER A 50 7.891 -7.273 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.351 -5.918 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.132 -5.042 -6.040 1.00 0.00 H new ATOM 0 HG SER A 50 7.945 -5.040 -4.288 1.00 0.00 H new ATOM 700 N PRO A 51 8.993 -6.488 -8.589 1.00 0.00 N ATOM 701 CA PRO A 51 7.680 -5.851 -8.520 1.00 0.00 C ATOM 702 C PRO A 51 6.567 -6.909 -8.473 1.00 0.00 C ATOM 703 O PRO A 51 6.652 -7.951 -9.130 1.00 0.00 O ATOM 704 CB PRO A 51 7.602 -4.981 -9.776 1.00 0.00 C ATOM 705 CG PRO A 51 8.458 -5.732 -10.794 1.00 0.00 C ATOM 706 CD PRO A 51 9.558 -6.343 -9.924 1.00 0.00 C ATOM 0 HA PRO A 51 7.547 -5.253 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.574 -4.870 -10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.987 -3.978 -9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.885 -6.497 -11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.866 -5.063 -11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.874 -7.308 -10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.439 -5.702 -9.905 1.00 0.00 H new ATOM 714 N VAL A 52 5.534 -6.667 -7.668 1.00 0.00 N ATOM 715 CA VAL A 52 4.491 -7.638 -7.367 1.00 0.00 C ATOM 716 C VAL A 52 3.158 -6.921 -7.194 1.00 0.00 C ATOM 717 O VAL A 52 3.134 -5.767 -6.767 1.00 0.00 O ATOM 718 CB VAL A 52 4.925 -8.475 -6.152 1.00 0.00 C ATOM 719 CG1 VAL A 52 5.071 -7.651 -4.867 1.00 0.00 C ATOM 720 CG2 VAL A 52 3.978 -9.660 -5.921 1.00 0.00 C ATOM 0 H VAL A 52 5.399 -5.772 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 52 4.345 -8.338 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 52 5.916 -8.856 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.379 -8.303 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.822 -6.875 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.115 -7.188 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.314 -10.230 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.969 -9.290 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.978 -10.303 -6.801 1.00 0.00 H new ATOM 730 N ILE A 53 2.054 -7.590 -7.535 1.00 0.00 N ATOM 731 CA ILE A 53 0.723 -7.007 -7.554 1.00 0.00 C ATOM 732 C ILE A 53 -0.212 -7.854 -6.690 1.00 0.00 C ATOM 733 O ILE A 53 -0.725 -8.879 -7.148 1.00 0.00 O ATOM 734 CB ILE A 53 0.190 -6.852 -8.989 1.00 0.00 C ATOM 735 CG1 ILE A 53 1.200 -6.315 -10.019 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.068 -5.966 -8.950 1.00 0.00 C ATOM 737 CD1 ILE A 53 1.745 -4.911 -9.803 1.00 0.00 C ATOM 0 H ILE A 53 2.068 -8.572 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 53 0.772 -6.001 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.036 -7.858 -9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.045 -7.003 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.727 -6.345 -11.001 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.460 -5.845 -9.960 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.824 -6.436 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.812 -4.989 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.444 -4.665 -10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.922 -4.196 -9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.260 -4.864 -8.844 1.00 0.00 H new ATOM 749 N LEU A 54 -0.449 -7.444 -5.443 1.00 0.00 N ATOM 750 CA LEU A 54 -1.409 -8.128 -4.584 1.00 0.00 C ATOM 751 C LEU A 54 -2.824 -7.826 -5.064 1.00 0.00 C ATOM 752 O LEU A 54 -3.194 -6.656 -5.228 1.00 0.00 O ATOM 753 CB LEU A 54 -1.288 -7.682 -3.123 1.00 0.00 C ATOM 754 CG LEU A 54 0.019 -8.043 -2.398 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.155 -7.622 -0.936 1.00 0.00 C ATOM 756 CD2 LEU A 54 0.352 -9.538 -2.472 1.00 0.00 C ATOM 0 H LEU A 54 0.011 -6.644 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.196 -9.196 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.410 -6.599 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.118 -8.115 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 54 0.848 -7.526 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.751 -7.859 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.341 -6.549 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.999 -8.157 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.285 -9.730 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.451 -10.113 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.459 -9.836 -3.515 1.00 0.00 H new ATOM 768 N SER A 55 -3.639 -8.864 -5.213 1.00 0.00 N ATOM 769 CA SER A 55 -5.058 -8.776 -5.501 1.00 0.00 C ATOM 770 C SER A 55 -5.848 -8.671 -4.187 1.00 0.00 C ATOM 771 O SER A 55 -5.270 -8.597 -3.094 1.00 0.00 O ATOM 772 CB SER A 55 -5.458 -10.020 -6.297 1.00 0.00 C ATOM 773 OG SER A 55 -4.531 -10.310 -7.324 1.00 0.00 O ATOM 0 H SER A 55 -3.312 -9.827 -5.132 1.00 0.00 H new ATOM 0 HA SER A 55 -5.282 -7.887 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.532 -10.874 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.446 -9.870 -6.732 1.00 0.00 H new ATOM 0 HG SER A 55 -4.820 -11.111 -7.809 1.00 0.00 H new ATOM 779 N ASP A 56 -7.176 -8.643 -4.278 1.00 0.00 N ATOM 780 CA ASP A 56 -8.064 -8.385 -3.149 1.00 0.00 C ATOM 781 C ASP A 56 -7.917 -9.433 -2.050 1.00 0.00 C ATOM 782 O ASP A 56 -7.836 -9.075 -0.873 1.00 0.00 O ATOM 783 CB ASP A 56 -9.527 -8.318 -3.610 1.00 0.00 C ATOM 784 CG ASP A 56 -10.454 -7.997 -2.432 1.00 0.00 C ATOM 785 OD1 ASP A 56 -10.817 -8.924 -1.674 1.00 0.00 O ATOM 786 OD2 ASP A 56 -10.779 -6.806 -2.229 1.00 0.00 O ATOM 0 H ASP A 56 -7.673 -8.802 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.772 -7.421 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.635 -7.556 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.816 -9.269 -4.058 1.00 0.00 H new ATOM 791 N GLU A 57 -7.847 -10.714 -2.421 1.00 0.00 N ATOM 792 CA GLU A 57 -7.831 -11.810 -1.459 1.00 0.00 C ATOM 793 C GLU A 57 -6.532 -11.783 -0.668 1.00 0.00 C ATOM 794 O GLU A 57 -6.520 -12.050 0.535 1.00 0.00 O ATOM 795 CB GLU A 57 -7.914 -13.167 -2.161 1.00 0.00 C ATOM 796 CG GLU A 57 -9.250 -13.505 -2.821 1.00 0.00 C ATOM 797 CD GLU A 57 -9.354 -15.022 -2.987 1.00 0.00 C ATOM 798 OE1 GLU A 57 -8.458 -15.627 -3.627 1.00 0.00 O ATOM 799 OE2 GLU A 57 -10.289 -15.630 -2.422 1.00 0.00 O ATOM 0 H GLU A 57 -7.800 -11.016 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.693 -11.681 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.136 -13.207 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.686 -13.944 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.075 -13.136 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.325 -13.014 -3.791 1.00 0.00 H new ATOM 806 N GLU A 58 -5.430 -11.468 -1.347 1.00 0.00 N ATOM 807 CA GLU A 58 -4.119 -11.449 -0.729 1.00 0.00 C ATOM 808 C GLU A 58 -4.103 -10.372 0.367 1.00 0.00 C ATOM 809 O GLU A 58 -3.453 -10.536 1.398 1.00 0.00 O ATOM 810 CB GLU A 58 -3.012 -11.213 -1.776 1.00 0.00 C ATOM 811 CG GLU A 58 -3.274 -11.658 -3.230 1.00 0.00 C ATOM 812 CD GLU A 58 -3.663 -13.130 -3.401 1.00 0.00 C ATOM 813 OE1 GLU A 58 -2.813 -14.013 -3.132 1.00 0.00 O ATOM 814 OE2 GLU A 58 -4.812 -13.406 -3.828 1.00 0.00 O ATOM 0 H GLU A 58 -5.428 -11.221 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.916 -12.420 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.789 -10.146 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.113 -11.722 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.069 -11.038 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.378 -11.465 -3.819 1.00 0.00 H new ATOM 821 N LEU A 59 -4.851 -9.277 0.182 1.00 0.00 N ATOM 822 CA LEU A 59 -5.023 -8.191 1.133 1.00 0.00 C ATOM 823 C LEU A 59 -5.948 -8.501 2.321 1.00 0.00 C ATOM 824 O LEU A 59 -6.447 -7.568 2.945 1.00 0.00 O ATOM 825 CB LEU A 59 -5.523 -6.985 0.319 1.00 0.00 C ATOM 826 CG LEU A 59 -4.583 -5.783 0.307 1.00 0.00 C ATOM 827 CD1 LEU A 59 -4.670 -4.975 1.609 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.126 -6.124 -0.025 1.00 0.00 C ATOM 0 H LEU A 59 -5.375 -9.125 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.067 -7.996 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.693 -7.305 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.487 -6.670 0.719 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.940 -5.162 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.985 -4.129 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.688 -4.610 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.399 -5.612 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.527 -5.213 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.738 -6.824 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.075 -6.578 -1.015 1.00 0.00 H new ATOM 840 N ALA A 60 -6.209 -9.760 2.669 1.00 0.00 N ATOM 841 CA ALA A 60 -7.123 -10.150 3.750 1.00 0.00 C ATOM 842 C ALA A 60 -6.595 -9.884 5.181 1.00 0.00 C ATOM 843 O ALA A 60 -7.095 -10.483 6.135 1.00 0.00 O ATOM 844 CB ALA A 60 -7.516 -11.617 3.533 1.00 0.00 C ATOM 0 H ALA A 60 -5.783 -10.558 2.198 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.001 -9.506 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.196 -11.932 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.010 -11.722 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.622 -12.240 3.553 1.00 0.00 H new ATOM 850 N VAL A 61 -5.600 -9.011 5.372 1.00 0.00 N ATOM 851 CA VAL A 61 -5.068 -8.667 6.693 1.00 0.00 C ATOM 852 C VAL A 61 -5.708 -7.397 7.241 1.00 0.00 C ATOM 853 O VAL A 61 -6.095 -6.505 6.490 1.00 0.00 O ATOM 854 CB VAL A 61 -3.539 -8.512 6.660 1.00 0.00 C ATOM 855 CG1 VAL A 61 -2.890 -9.872 6.430 1.00 0.00 C ATOM 856 CG2 VAL A 61 -3.008 -7.479 5.651 1.00 0.00 C ATOM 0 H VAL A 61 -5.138 -8.520 4.607 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.318 -9.493 7.359 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.261 -8.113 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.806 -9.759 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.167 -10.549 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.232 -10.282 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.920 -7.444 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.313 -7.764 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.415 -6.496 5.889 1.00 0.00 H new ATOM 866 N GLU A 62 -5.744 -7.258 8.565 1.00 0.00 N ATOM 867 CA GLU A 62 -6.244 -6.038 9.186 1.00 0.00 C ATOM 868 C GLU A 62 -5.228 -4.888 9.088 1.00 0.00 C ATOM 869 O GLU A 62 -5.606 -3.740 8.843 1.00 0.00 O ATOM 870 CB GLU A 62 -6.698 -6.339 10.621 1.00 0.00 C ATOM 871 CG GLU A 62 -5.563 -6.512 11.633 1.00 0.00 C ATOM 872 CD GLU A 62 -6.022 -7.022 13.003 1.00 0.00 C ATOM 873 OE1 GLU A 62 -7.026 -6.515 13.559 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.328 -7.922 13.538 1.00 0.00 O ATOM 0 H GLU A 62 -5.434 -7.973 9.224 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.117 -5.686 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.346 -5.530 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.300 -7.248 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.829 -7.207 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.057 -5.555 11.764 1.00 0.00 H new ATOM 881 N LYS A 63 -3.936 -5.176 9.302 1.00 0.00 N ATOM 882 CA LYS A 63 -2.911 -4.153 9.522 1.00 0.00 C ATOM 883 C LYS A 63 -1.555 -4.817 9.344 1.00 0.00 C ATOM 884 O LYS A 63 -1.158 -5.613 10.200 1.00 0.00 O ATOM 885 CB LYS A 63 -3.066 -3.549 10.939 1.00 0.00 C ATOM 886 CG LYS A 63 -2.491 -2.132 11.097 1.00 0.00 C ATOM 887 CD LYS A 63 -0.964 -2.013 11.004 1.00 0.00 C ATOM 888 CE LYS A 63 -0.534 -0.538 11.031 1.00 0.00 C ATOM 889 NZ LYS A 63 -0.154 -0.061 12.374 1.00 0.00 N ATOM 0 H LYS A 63 -3.574 -6.129 9.327 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.012 -3.334 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.125 -3.528 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.576 -4.208 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.933 -1.494 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.808 -1.738 12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.501 -2.548 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.612 -2.483 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.309 -0.401 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.350 0.077 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.125 0.940 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.963 -0.161 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.645 -0.625 12.729 1.00 0.00 H new ATOM 903 N VAL A 64 -0.867 -4.524 8.244 1.00 0.00 N ATOM 904 CA VAL A 64 0.455 -5.078 7.939 1.00 0.00 C ATOM 905 C VAL A 64 1.385 -4.007 7.354 1.00 0.00 C ATOM 906 O VAL A 64 1.091 -3.324 6.380 1.00 0.00 O ATOM 907 CB VAL A 64 0.387 -6.364 7.095 1.00 0.00 C ATOM 908 CG1 VAL A 64 1.797 -6.860 6.774 1.00 0.00 C ATOM 909 CG2 VAL A 64 -0.276 -7.500 7.891 1.00 0.00 C ATOM 0 H VAL A 64 -1.214 -3.886 7.527 1.00 0.00 H new ATOM 0 HA VAL A 64 0.900 -5.393 8.883 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.177 -6.124 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.736 -7.770 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.333 -6.094 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.329 -7.070 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.315 -8.400 7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.304 -7.700 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.288 -7.207 8.169 1.00 0.00 H new ATOM 919 N THR A 65 2.480 -3.745 8.044 1.00 0.00 N ATOM 920 CA THR A 65 3.586 -2.863 7.683 1.00 0.00 C ATOM 921 C THR A 65 4.361 -3.483 6.511 1.00 0.00 C ATOM 922 O THR A 65 4.808 -4.624 6.618 1.00 0.00 O ATOM 923 CB THR A 65 4.442 -2.781 8.962 1.00 0.00 C ATOM 924 OG1 THR A 65 3.631 -2.461 10.087 1.00 0.00 O ATOM 925 CG2 THR A 65 5.627 -1.826 8.965 1.00 0.00 C ATOM 0 H THR A 65 2.636 -4.181 8.953 1.00 0.00 H new ATOM 0 HA THR A 65 3.272 -1.872 7.357 1.00 0.00 H new ATOM 0 HB THR A 65 4.875 -3.780 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.190 -2.415 10.891 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.133 -1.877 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.323 -2.107 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.275 -0.809 8.793 1.00 0.00 H new ATOM 933 N LEU A 66 4.555 -2.767 5.398 1.00 0.00 N ATOM 934 CA LEU A 66 5.449 -3.175 4.313 1.00 0.00 C ATOM 935 C LEU A 66 6.610 -2.188 4.255 1.00 0.00 C ATOM 936 O LEU A 66 6.424 -0.981 4.423 1.00 0.00 O ATOM 937 CB LEU A 66 4.717 -3.234 2.956 1.00 0.00 C ATOM 938 CG LEU A 66 3.919 -4.521 2.655 1.00 0.00 C ATOM 939 CD1 LEU A 66 4.808 -5.764 2.677 1.00 0.00 C ATOM 940 CD2 LEU A 66 2.728 -4.729 3.587 1.00 0.00 C ATOM 0 H LEU A 66 4.089 -1.877 5.225 1.00 0.00 H new ATOM 0 HA LEU A 66 5.816 -4.182 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.032 -2.388 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.455 -3.098 2.165 1.00 0.00 H new ATOM 0 HG LEU A 66 3.528 -4.379 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.206 -6.646 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.590 -5.665 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.263 -5.869 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.213 -5.651 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.079 -4.796 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.040 -3.889 3.492 1.00 0.00 H new ATOM 952 N SER A 67 7.813 -2.693 4.006 1.00 0.00 N ATOM 953 CA SER A 67 9.028 -1.912 3.832 1.00 0.00 C ATOM 954 C SER A 67 9.949 -2.686 2.894 1.00 0.00 C ATOM 955 O SER A 67 9.605 -3.782 2.444 1.00 0.00 O ATOM 956 CB SER A 67 9.674 -1.653 5.201 1.00 0.00 C ATOM 957 OG SER A 67 10.710 -0.688 5.131 1.00 0.00 O ATOM 0 H SER A 67 7.973 -3.696 3.917 1.00 0.00 H new ATOM 0 HA SER A 67 8.817 -0.938 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.911 -1.314 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.076 -2.587 5.594 1.00 0.00 H new ATOM 0 HG SER A 67 10.565 -0.108 4.355 1.00 0.00 H new ATOM 963 N THR A 68 11.103 -2.115 2.580 1.00 0.00 N ATOM 964 CA THR A 68 12.120 -2.767 1.782 1.00 0.00 C ATOM 965 C THR A 68 13.049 -3.594 2.671 1.00 0.00 C ATOM 966 O THR A 68 13.103 -3.402 3.891 1.00 0.00 O ATOM 967 CB THR A 68 12.882 -1.699 0.989 1.00 0.00 C ATOM 968 OG1 THR A 68 13.404 -0.671 1.809 1.00 0.00 O ATOM 969 CG2 THR A 68 11.956 -1.038 -0.027 1.00 0.00 C ATOM 0 H THR A 68 11.358 -1.174 2.878 1.00 0.00 H new ATOM 0 HA THR A 68 11.660 -3.460 1.078 1.00 0.00 H new ATOM 0 HB THR A 68 13.708 -2.220 0.505 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.311 -0.447 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.508 -0.281 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.576 -1.791 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.121 -0.568 0.493 1.00 0.00 H new ATOM 977 N THR A 69 13.838 -4.478 2.063 1.00 0.00 N ATOM 978 CA THR A 69 14.978 -5.096 2.727 1.00 0.00 C ATOM 979 C THR A 69 16.199 -4.160 2.732 1.00 0.00 C ATOM 980 O THR A 69 17.160 -4.404 3.471 1.00 0.00 O ATOM 981 CB THR A 69 15.289 -6.454 2.070 1.00 0.00 C ATOM 982 OG1 THR A 69 15.404 -6.325 0.668 1.00 0.00 O ATOM 983 CG2 THR A 69 14.191 -7.478 2.372 1.00 0.00 C ATOM 0 H THR A 69 13.703 -4.784 1.099 1.00 0.00 H new ATOM 0 HA THR A 69 14.725 -5.275 3.772 1.00 0.00 H new ATOM 0 HB THR A 69 16.236 -6.798 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.645 -5.402 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.437 -8.427 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.114 -7.622 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.239 -7.115 1.986 1.00 0.00 H new ATOM 991 N GLY A 70 16.208 -3.078 1.945 1.00 0.00 N ATOM 992 CA GLY A 70 17.408 -2.297 1.678 1.00 0.00 C ATOM 993 C GLY A 70 17.121 -0.943 1.033 1.00 0.00 C ATOM 994 O GLY A 70 15.976 -0.489 0.982 1.00 0.00 O ATOM 0 H GLY A 70 15.375 -2.723 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.945 -2.139 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.067 -2.869 1.025 1.00 0.00 H new ATOM 998 N LYS A 71 18.184 -0.264 0.589 1.00 0.00 N ATOM 999 CA LYS A 71 18.113 1.023 -0.109 1.00 0.00 C ATOM 1000 C LYS A 71 17.357 0.836 -1.426 1.00 0.00 C ATOM 1001 O LYS A 71 17.687 -0.080 -2.181 1.00 0.00 O ATOM 1002 CB LYS A 71 19.543 1.546 -0.357 1.00 0.00 C ATOM 1003 CG LYS A 71 19.624 3.047 -0.696 1.00 0.00 C ATOM 1004 CD LYS A 71 20.789 3.381 -1.653 1.00 0.00 C ATOM 1005 CE LYS A 71 20.216 3.598 -3.055 1.00 0.00 C ATOM 1006 NZ LYS A 71 21.209 3.503 -4.154 1.00 0.00 N ATOM 0 H LYS A 71 19.139 -0.602 0.708 1.00 0.00 H new ATOM 0 HA LYS A 71 17.579 1.756 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.146 1.354 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.988 0.977 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.685 3.364 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.741 3.617 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.313 4.275 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.517 2.570 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.431 2.863 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.746 4.581 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.883 4.066 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.126 3.867 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.314 2.509 -4.442 1.00 0.00 H new ATOM 1020 N ALA A 72 16.395 1.706 -1.727 1.00 0.00 N ATOM 1021 CA ALA A 72 15.527 1.608 -2.888 1.00 0.00 C ATOM 1022 C ALA A 72 15.405 2.937 -3.613 1.00 0.00 C ATOM 1023 O ALA A 72 15.629 3.988 -3.011 1.00 0.00 O ATOM 1024 CB ALA A 72 14.129 1.203 -2.448 1.00 0.00 C ATOM 0 H ALA A 72 16.196 2.522 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 72 15.967 0.868 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.480 1.130 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.171 0.237 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.732 1.951 -1.762 1.00 0.00 H new ATOM 1030 N ILE A 73 14.980 2.897 -4.879 1.00 0.00 N ATOM 1031 CA ILE A 73 14.789 4.089 -5.703 1.00 0.00 C ATOM 1032 C ILE A 73 13.382 4.088 -6.328 1.00 0.00 C ATOM 1033 O ILE A 73 13.168 4.820 -7.282 1.00 0.00 O ATOM 1034 CB ILE A 73 15.878 4.191 -6.807 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.190 3.445 -6.514 1.00 0.00 C ATOM 1036 CG2 ILE A 73 16.233 5.670 -7.063 1.00 0.00 C ATOM 1037 CD1 ILE A 73 17.994 3.917 -5.299 1.00 0.00 C ATOM 0 H ILE A 73 14.757 2.027 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 73 14.885 4.963 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 73 15.426 3.710 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.958 2.389 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.828 3.521 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.997 5.732 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 73 15.342 6.207 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 73 16.611 6.118 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.895 3.312 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.272 4.963 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 73 17.388 3.813 -4.399 1.00 0.00 H new ATOM 1049 N GLU A 74 12.436 3.255 -5.872 1.00 0.00 N ATOM 1050 CA GLU A 74 11.030 3.341 -6.281 1.00 0.00 C ATOM 1051 C GLU A 74 10.115 2.873 -5.161 1.00 0.00 C ATOM 1052 O GLU A 74 10.557 2.097 -4.312 1.00 0.00 O ATOM 1053 CB GLU A 74 10.736 2.505 -7.541 1.00 0.00 C ATOM 1054 CG GLU A 74 11.108 3.272 -8.814 1.00 0.00 C ATOM 1055 CD GLU A 74 10.347 2.852 -10.068 1.00 0.00 C ATOM 1056 OE1 GLU A 74 9.424 2.020 -10.021 1.00 0.00 O ATOM 1057 OE2 GLU A 74 10.669 3.434 -11.132 1.00 0.00 O ATOM 0 H GLU A 74 12.626 2.503 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 74 10.839 4.390 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.296 1.571 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.679 2.242 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.937 4.335 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.175 3.147 -8.996 1.00 0.00 H new ATOM 1064 N PHE A 75 8.847 3.303 -5.197 1.00 0.00 N ATOM 1065 CA PHE A 75 7.744 2.742 -4.417 1.00 0.00 C ATOM 1066 C PHE A 75 6.432 3.185 -5.080 1.00 0.00 C ATOM 1067 O PHE A 75 6.014 4.329 -4.902 1.00 0.00 O ATOM 1068 CB PHE A 75 7.852 3.177 -2.929 1.00 0.00 C ATOM 1069 CG PHE A 75 7.720 2.075 -1.877 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.398 0.853 -2.063 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.044 2.289 -0.653 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.504 -0.089 -1.025 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.129 1.327 0.367 1.00 0.00 C ATOM 1074 CZ PHE A 75 7.900 0.164 0.214 1.00 0.00 C ATOM 0 H PHE A 75 8.554 4.078 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 75 7.779 1.653 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.815 3.668 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.082 3.924 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.845 0.636 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.465 3.188 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.051 -1.007 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.589 1.486 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.026 -0.524 1.037 1.00 0.00 H new ATOM 1084 N ALA A 76 5.808 2.321 -5.884 1.00 0.00 N ATOM 1085 CA ALA A 76 4.524 2.556 -6.546 1.00 0.00 C ATOM 1086 C ALA A 76 3.360 2.066 -5.675 1.00 0.00 C ATOM 1087 O ALA A 76 3.487 1.003 -5.069 1.00 0.00 O ATOM 1088 CB ALA A 76 4.517 1.805 -7.881 1.00 0.00 C ATOM 0 H ALA A 76 6.199 1.404 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 76 4.398 3.626 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.566 1.971 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.330 2.171 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.651 0.739 -7.699 1.00 0.00 H new ATOM 1094 N VAL A 77 2.223 2.771 -5.641 1.00 0.00 N ATOM 1095 CA VAL A 77 1.008 2.354 -4.936 1.00 0.00 C ATOM 1096 C VAL A 77 -0.204 2.834 -5.742 1.00 0.00 C ATOM 1097 O VAL A 77 -0.522 4.019 -5.745 1.00 0.00 O ATOM 1098 CB VAL A 77 0.951 2.908 -3.488 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -0.186 2.252 -2.687 1.00 0.00 C ATOM 1100 CG2 VAL A 77 2.242 2.688 -2.697 1.00 0.00 C ATOM 0 H VAL A 77 2.121 3.669 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 77 1.006 1.267 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 77 0.788 3.979 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.201 2.660 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.139 2.455 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.024 1.175 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.129 3.101 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.449 1.620 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.068 3.186 -3.204 1.00 0.00 H new ATOM 1110 N SER A 78 -0.924 1.929 -6.399 1.00 0.00 N ATOM 1111 CA SER A 78 -2.216 2.226 -7.014 1.00 0.00 C ATOM 1112 C SER A 78 -3.163 1.047 -6.814 1.00 0.00 C ATOM 1113 O SER A 78 -2.707 -0.045 -6.452 1.00 0.00 O ATOM 1114 CB SER A 78 -2.072 2.492 -8.517 1.00 0.00 C ATOM 1115 OG SER A 78 -1.155 3.521 -8.826 1.00 0.00 O ATOM 0 H SER A 78 -0.626 0.961 -6.521 1.00 0.00 H new ATOM 0 HA SER A 78 -2.614 3.121 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.754 1.574 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.048 2.752 -8.926 1.00 0.00 H new ATOM 0 HG SER A 78 -1.110 3.638 -9.798 1.00 0.00 H new ATOM 1121 N GLY A 79 -4.458 1.244 -7.066 1.00 0.00 N ATOM 1122 CA GLY A 79 -5.427 0.162 -7.173 1.00 0.00 C ATOM 1123 C GLY A 79 -6.835 0.677 -6.925 1.00 0.00 C ATOM 1124 O GLY A 79 -7.664 0.680 -7.837 1.00 0.00 O ATOM 0 H GLY A 79 -4.864 2.170 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.368 -0.289 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.188 -0.620 -6.452 1.00 0.00 H new ATOM 1128 N GLY A 80 -7.095 1.136 -5.698 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.402 1.646 -5.304 1.00 0.00 C ATOM 1130 C GLY A 80 -9.445 0.535 -5.172 1.00 0.00 C ATOM 1131 O GLY A 80 -9.189 -0.625 -5.512 1.00 0.00 O ATOM 0 H GLY A 80 -6.401 1.163 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.313 2.172 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.742 2.374 -6.040 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.648 0.908 -4.739 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.868 0.112 -4.806 1.00 0.00 C ATOM 1137 C VAL A 81 -12.945 0.982 -5.449 1.00 0.00 C ATOM 1138 O VAL A 81 -12.872 2.214 -5.399 1.00 0.00 O ATOM 1139 CB VAL A 81 -12.317 -0.373 -3.404 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -11.512 -1.588 -2.961 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -12.188 0.669 -2.289 1.00 0.00 C ATOM 0 H VAL A 81 -10.804 1.820 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.691 -0.786 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 81 -13.374 -0.602 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.848 -1.907 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.657 -2.400 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.454 -1.328 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.526 0.237 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.146 0.974 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.800 1.538 -2.530 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.068 -2.369 4.036 1.00 0.00 N ATOM 1267 CA GLU A 91 -20.741 -1.342 5.012 1.00 0.00 C ATOM 1268 C GLU A 91 -19.588 -0.465 4.494 1.00 0.00 C ATOM 1269 O GLU A 91 -18.903 -0.852 3.542 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.374 -2.014 6.343 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.512 -1.910 7.350 1.00 0.00 C ATOM 1272 CD GLU A 91 -20.987 -2.081 8.772 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -20.171 -1.249 9.238 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -21.428 -3.016 9.482 1.00 0.00 O ATOM 0 HA GLU A 91 -21.603 -0.694 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.135 -3.063 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.479 -1.547 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -22.004 -0.942 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -22.262 -2.672 7.139 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.345 0.705 5.113 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.233 1.563 4.741 1.00 0.00 C ATOM 1283 C PRO A 92 -16.895 1.033 5.250 1.00 0.00 C ATOM 1284 O PRO A 92 -16.830 0.170 6.131 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.568 2.915 5.376 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.331 2.534 6.639 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.135 1.321 6.175 1.00 0.00 C ATOM 0 HA PRO A 92 -18.117 1.622 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.668 3.484 5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.173 3.532 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.660 2.287 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.976 3.342 6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.299 0.623 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.117 1.619 5.809 1.00 0.00 H new ATOM 1295 N MET A 93 -15.801 1.601 4.735 1.00 0.00 N ATOM 1296 CA MET A 93 -14.456 1.246 5.149 1.00 0.00 C ATOM 1297 C MET A 93 -13.512 2.438 5.030 1.00 0.00 C ATOM 1298 O MET A 93 -13.879 3.494 4.500 1.00 0.00 O ATOM 1299 CB MET A 93 -13.963 0.042 4.332 1.00 0.00 C ATOM 1300 CG MET A 93 -13.600 0.367 2.874 1.00 0.00 C ATOM 1301 SD MET A 93 -11.826 0.344 2.476 1.00 0.00 S ATOM 1302 CE MET A 93 -11.436 -1.364 2.952 1.00 0.00 C ATOM 0 H MET A 93 -15.832 2.323 4.015 1.00 0.00 H new ATOM 0 HA MET A 93 -14.471 0.961 6.201 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.088 -0.382 4.825 1.00 0.00 H new ATOM 0 HB3 MET A 93 -14.736 -0.726 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.108 -0.347 2.225 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.994 1.354 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.746 -1.358 3.796 1.00 0.00 H new ATOM 0 HE2 MET A 93 -12.353 -1.881 3.236 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.974 -1.880 2.110 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.281 2.245 5.501 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.182 3.183 5.374 1.00 0.00 C ATOM 1314 C GLN A 94 -9.935 2.421 4.956 1.00 0.00 C ATOM 1315 O GLN A 94 -9.814 1.214 5.194 1.00 0.00 O ATOM 1316 CB GLN A 94 -10.957 3.921 6.702 1.00 0.00 C ATOM 1317 CG GLN A 94 -11.933 5.093 6.801 1.00 0.00 C ATOM 1318 CD GLN A 94 -11.859 5.800 8.146 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -10.849 6.406 8.512 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -12.929 5.764 8.917 1.00 0.00 N ATOM 0 H GLN A 94 -12.018 1.395 6.000 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.416 3.930 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.104 3.239 7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.930 4.282 6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -11.720 5.808 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.948 4.731 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.762 5.262 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.923 6.239 9.820 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.013 3.154 4.339 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.761 2.652 3.813 1.00 0.00 C ATOM 1331 C TRP A 95 -6.703 3.707 4.097 1.00 0.00 C ATOM 1332 O TRP A 95 -6.506 4.654 3.328 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.905 2.331 2.317 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.673 0.905 1.933 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.177 -0.188 2.547 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -6.867 0.402 0.831 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -7.765 -1.323 1.877 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -6.956 -1.018 0.808 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -6.070 1.015 -0.155 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -6.296 -1.792 -0.154 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -5.420 0.248 -1.137 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -5.551 -1.149 -1.149 1.00 0.00 C ATOM 0 H TRP A 95 -9.129 4.156 4.189 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.466 1.717 4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.908 2.615 1.999 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -7.205 2.956 1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.805 -0.176 3.426 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.029 -2.272 2.143 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.957 2.089 -0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.361 -2.870 -0.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.816 0.737 -1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.076 -1.729 -1.927 1.00 0.00 H new ATOM 1353 N VAL A 96 -6.056 3.576 5.249 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.869 4.354 5.552 1.00 0.00 C ATOM 1355 C VAL A 96 -3.717 3.619 4.875 1.00 0.00 C ATOM 1356 O VAL A 96 -3.698 2.385 4.914 1.00 0.00 O ATOM 1357 CB VAL A 96 -4.675 4.472 7.074 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -3.667 5.579 7.391 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -5.997 4.764 7.804 1.00 0.00 C ATOM 0 H VAL A 96 -6.338 2.934 5.990 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.938 5.378 5.186 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.300 3.511 7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.537 5.654 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.710 5.344 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.035 6.529 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.812 4.839 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.413 5.704 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.704 3.956 7.614 1.00 0.00 H new ATOM 1369 N VAL A 97 -2.807 4.350 4.227 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.643 3.824 3.548 1.00 0.00 C ATOM 1371 C VAL A 97 -0.482 4.821 3.716 1.00 0.00 C ATOM 1372 O VAL A 97 0.090 5.316 2.744 1.00 0.00 O ATOM 1373 CB VAL A 97 -2.004 3.567 2.074 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.827 2.296 1.852 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -2.735 4.739 1.402 1.00 0.00 C ATOM 0 H VAL A 97 -2.873 5.366 4.164 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.322 2.874 3.975 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.028 3.442 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.042 2.183 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.263 1.431 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.763 2.367 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.956 4.484 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.666 4.940 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.103 5.626 1.430 1.00 0.00 H new ATOM 1385 N THR A 98 -0.153 5.183 4.957 1.00 0.00 N ATOM 1386 CA THR A 98 0.900 6.173 5.198 1.00 0.00 C ATOM 1387 C THR A 98 2.220 5.582 4.740 1.00 0.00 C ATOM 1388 O THR A 98 2.488 4.408 5.031 1.00 0.00 O ATOM 1389 CB THR A 98 1.019 6.474 6.692 1.00 0.00 C ATOM 1390 OG1 THR A 98 -0.264 6.788 7.199 1.00 0.00 O ATOM 1391 CG2 THR A 98 1.978 7.630 7.002 1.00 0.00 C ATOM 0 H THR A 98 -0.592 4.813 5.800 1.00 0.00 H new ATOM 0 HA THR A 98 0.658 7.089 4.659 1.00 0.00 H new ATOM 0 HB THR A 98 1.430 5.584 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.199 6.981 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.017 7.792 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.975 7.384 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.625 8.537 6.511 1.00 0.00 H new ATOM 1399 N VAL A 99 3.067 6.395 4.112 1.00 0.00 N ATOM 1400 CA VAL A 99 4.401 5.984 3.775 1.00 0.00 C ATOM 1401 C VAL A 99 5.389 6.615 4.738 1.00 0.00 C ATOM 1402 O VAL A 99 5.235 7.739 5.211 1.00 0.00 O ATOM 1403 CB VAL A 99 4.725 6.336 2.318 1.00 0.00 C ATOM 1404 CG1 VAL A 99 3.999 5.403 1.338 1.00 0.00 C ATOM 1405 CG2 VAL A 99 4.396 7.781 2.011 1.00 0.00 C ATOM 0 H VAL A 99 2.837 7.348 3.830 1.00 0.00 H new ATOM 0 HA VAL A 99 4.478 4.901 3.869 1.00 0.00 H new ATOM 0 HB VAL A 99 5.798 6.196 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.252 5.682 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.307 4.373 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.922 5.491 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.638 7.996 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.334 7.956 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.979 8.433 2.661 1.00 0.00 H new ATOM 1415 N TYR A 100 6.509 5.938 4.872 1.00 0.00 N ATOM 1416 CA TYR A 100 7.723 6.389 5.509 1.00 0.00 C ATOM 1417 C TYR A 100 8.881 6.184 4.526 1.00 0.00 C ATOM 1418 O TYR A 100 8.704 5.683 3.416 1.00 0.00 O ATOM 1419 CB TYR A 100 7.889 5.682 6.852 1.00 0.00 C ATOM 1420 CG TYR A 100 6.779 6.032 7.818 1.00 0.00 C ATOM 1421 CD1 TYR A 100 6.807 7.240 8.543 1.00 0.00 C ATOM 1422 CD2 TYR A 100 5.674 5.168 7.933 1.00 0.00 C ATOM 1423 CE1 TYR A 100 5.741 7.570 9.399 1.00 0.00 C ATOM 1424 CE2 TYR A 100 4.609 5.498 8.783 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.636 6.700 9.526 1.00 0.00 C ATOM 1426 OH TYR A 100 3.613 6.999 10.374 1.00 0.00 O ATOM 0 H TYR A 100 6.599 4.988 4.511 1.00 0.00 H new ATOM 0 HA TYR A 100 7.696 7.452 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.906 4.604 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.849 5.955 7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.646 7.912 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.646 4.249 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.768 8.492 9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.764 4.831 8.870 1.00 0.00 H new ATOM 0 HH TYR A 100 2.937 6.291 10.334 1.00 0.00 H new ATOM 1436 N LYS A 101 10.043 6.684 4.902 1.00 0.00 N ATOM 1437 CA LYS A 101 11.311 6.733 4.216 1.00 0.00 C ATOM 1438 C LYS A 101 12.291 5.985 5.127 1.00 0.00 C ATOM 1439 O LYS A 101 11.853 5.290 6.049 1.00 0.00 O ATOM 1440 CB LYS A 101 11.588 8.232 3.985 1.00 0.00 C ATOM 1441 CG LYS A 101 12.668 8.534 2.939 1.00 0.00 C ATOM 1442 CD LYS A 101 12.334 9.839 2.193 1.00 0.00 C ATOM 1443 CE LYS A 101 13.520 10.625 1.613 1.00 0.00 C ATOM 1444 NZ LYS A 101 13.138 12.030 1.329 1.00 0.00 N ATOM 0 H LYS A 101 10.124 7.122 5.819 1.00 0.00 H new ATOM 0 HA LYS A 101 11.375 6.255 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.660 8.715 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.884 8.682 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.640 8.622 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.739 7.709 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.653 9.599 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.794 10.493 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.353 10.606 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.865 10.146 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.956 12.540 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.359 12.045 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.831 12.491 2.209 1.00 0.00 H new ATOM 1458 N ASN A 102 13.605 6.160 4.955 1.00 0.00 N ATOM 1459 CA ASN A 102 14.587 5.733 5.960 1.00 0.00 C ATOM 1460 C ASN A 102 14.442 6.613 7.229 1.00 0.00 C ATOM 1461 O ASN A 102 15.241 7.514 7.482 1.00 0.00 O ATOM 1462 CB ASN A 102 16.026 5.629 5.405 1.00 0.00 C ATOM 1463 CG ASN A 102 16.859 6.897 5.296 1.00 0.00 C ATOM 1464 OD1 ASN A 102 17.865 7.053 5.981 1.00 0.00 O ATOM 1465 ND2 ASN A 102 16.530 7.801 4.386 1.00 0.00 N ATOM 0 H ASN A 102 14.015 6.595 4.128 1.00 0.00 H new ATOM 0 HA ASN A 102 14.368 4.706 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.573 4.927 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 102 15.966 5.186 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 102 17.113 8.628 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.694 7.671 3.817 1.00 0.00 H new ATOM 1472 N GLY A 103 13.374 6.414 8.007 1.00 0.00 N ATOM 1473 CA GLY A 103 13.074 7.120 9.253 1.00 0.00 C ATOM 1474 C GLY A 103 12.514 8.540 9.078 1.00 0.00 C ATOM 1475 O GLY A 103 12.736 9.384 9.943 1.00 0.00 O ATOM 0 H GLY A 103 12.662 5.723 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.356 6.530 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.985 7.176 9.849 1.00 0.00 H new ATOM 1479 N LYS A 104 11.799 8.842 7.988 1.00 0.00 N ATOM 1480 CA LYS A 104 10.978 10.059 7.860 1.00 0.00 C ATOM 1481 C LYS A 104 9.642 9.669 7.240 1.00 0.00 C ATOM 1482 O LYS A 104 9.479 8.513 6.867 1.00 0.00 O ATOM 1483 CB LYS A 104 11.638 11.204 7.060 1.00 0.00 C ATOM 1484 CG LYS A 104 13.125 11.499 7.324 1.00 0.00 C ATOM 1485 CD LYS A 104 13.997 10.636 6.406 1.00 0.00 C ATOM 1486 CE LYS A 104 15.490 10.999 6.406 1.00 0.00 C ATOM 1487 NZ LYS A 104 16.175 10.771 7.695 1.00 0.00 N ATOM 0 H LYS A 104 11.772 8.246 7.161 1.00 0.00 H new ATOM 0 HA LYS A 104 10.849 10.467 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.524 10.981 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.075 12.117 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.332 12.555 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.366 11.295 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.891 9.593 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.618 10.717 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.993 10.417 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.596 12.049 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.176 11.041 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.724 11.346 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.108 9.765 7.950 1.00 0.00 H new ATOM 1501 N GLU A 105 8.741 10.624 7.064 1.00 0.00 N ATOM 1502 CA GLU A 105 7.479 10.531 6.319 1.00 0.00 C ATOM 1503 C GLU A 105 7.546 11.580 5.208 1.00 0.00 C ATOM 1504 O GLU A 105 8.040 12.688 5.450 1.00 0.00 O ATOM 1505 CB GLU A 105 6.283 10.797 7.259 1.00 0.00 C ATOM 1506 CG GLU A 105 4.892 10.752 6.591 1.00 0.00 C ATOM 1507 CD GLU A 105 3.868 11.648 7.294 1.00 0.00 C ATOM 1508 OE1 GLU A 105 3.307 11.229 8.336 1.00 0.00 O ATOM 1509 OE2 GLU A 105 3.641 12.780 6.803 1.00 0.00 O ATOM 0 H GLU A 105 8.875 11.553 7.463 1.00 0.00 H new ATOM 0 HA GLU A 105 7.340 9.535 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.305 10.062 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.415 11.777 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.984 11.060 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.528 9.725 6.588 1.00 0.00 H new ATOM 1516 N ILE A 106 7.049 11.253 4.014 1.00 0.00 N ATOM 1517 CA ILE A 106 6.943 12.151 2.869 1.00 0.00 C ATOM 1518 C ILE A 106 5.486 12.376 2.457 1.00 0.00 C ATOM 1519 O ILE A 106 5.198 13.447 1.917 1.00 0.00 O ATOM 1520 CB ILE A 106 7.818 11.659 1.689 1.00 0.00 C ATOM 1521 CG1 ILE A 106 7.200 10.475 0.903 1.00 0.00 C ATOM 1522 CG2 ILE A 106 9.259 11.418 2.173 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.193 9.523 0.226 1.00 0.00 C ATOM 0 H ILE A 106 6.696 10.317 3.813 1.00 0.00 H new ATOM 0 HA ILE A 106 7.332 13.123 3.173 1.00 0.00 H new ATOM 0 HB ILE A 106 7.854 12.451 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.581 9.895 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.537 10.880 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.870 11.072 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.672 12.348 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.257 10.663 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.646 8.736 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.798 10.078 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.842 9.078 0.980 1.00 0.00 H new ATOM 1535 N GLU A 107 4.576 11.422 2.715 1.00 0.00 N ATOM 1536 CA GLU A 107 3.191 11.518 2.252 1.00 0.00 C ATOM 1537 C GLU A 107 2.276 10.788 3.245 1.00 0.00 C ATOM 1538 O GLU A 107 2.651 9.738 3.777 1.00 0.00 O ATOM 1539 CB GLU A 107 3.100 10.894 0.840 1.00 0.00 C ATOM 1540 CG GLU A 107 2.196 11.632 -0.153 1.00 0.00 C ATOM 1541 CD GLU A 107 2.674 13.066 -0.395 1.00 0.00 C ATOM 1542 OE1 GLU A 107 3.585 13.283 -1.227 1.00 0.00 O ATOM 1543 OE2 GLU A 107 2.124 13.975 0.268 1.00 0.00 O ATOM 0 H GLU A 107 4.781 10.574 3.244 1.00 0.00 H new ATOM 0 HA GLU A 107 2.870 12.558 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.104 10.842 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.742 9.869 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.176 11.091 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.175 11.648 0.227 1.00 0.00 H new ATOM 1550 N LYS A 108 1.066 11.309 3.482 1.00 0.00 N ATOM 1551 CA LYS A 108 0.151 10.799 4.511 1.00 0.00 C ATOM 1552 C LYS A 108 -1.278 10.742 3.971 1.00 0.00 C ATOM 1553 O LYS A 108 -2.226 11.172 4.629 1.00 0.00 O ATOM 1554 CB LYS A 108 0.299 11.653 5.785 1.00 0.00 C ATOM 1555 CG LYS A 108 -0.148 10.917 7.060 1.00 0.00 C ATOM 1556 CD LYS A 108 0.125 11.742 8.326 1.00 0.00 C ATOM 1557 CE LYS A 108 0.295 10.810 9.535 1.00 0.00 C ATOM 1558 NZ LYS A 108 0.637 11.549 10.768 1.00 0.00 N ATOM 0 H LYS A 108 0.691 12.102 2.961 1.00 0.00 H new ATOM 0 HA LYS A 108 0.407 9.774 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.341 11.956 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.288 12.565 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.213 10.694 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.374 9.963 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.024 12.343 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.698 12.434 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.627 10.251 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.077 10.081 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.742 10.879 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.531 12.062 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.121 12.227 10.988 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.434 10.257 2.738 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.748 10.084 2.131 1.00 0.00 C ATOM 1574 C LYS A 109 -3.489 8.949 2.851 1.00 0.00 C ATOM 1575 O LYS A 109 -2.877 7.937 3.212 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.587 9.822 0.622 1.00 0.00 C ATOM 1577 CG LYS A 109 -3.909 10.078 -0.118 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.937 9.521 -1.550 1.00 0.00 C ATOM 1579 CE LYS A 109 -3.564 10.512 -2.653 1.00 0.00 C ATOM 1580 NZ LYS A 109 -4.481 11.669 -2.680 1.00 0.00 N ATOM 0 H LYS A 109 -0.658 9.976 2.139 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.346 10.989 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.807 10.467 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.266 8.793 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.725 9.633 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.093 11.152 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.255 8.672 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.938 9.140 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.543 10.860 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.586 10.007 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.452 12.113 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.450 11.349 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.188 12.361 -1.961 1.00 0.00 H new ATOM 1594 N SER A 110 -4.798 9.105 3.033 1.00 0.00 N ATOM 1595 CA SER A 110 -5.735 8.080 3.471 1.00 0.00 C ATOM 1596 C SER A 110 -7.016 8.228 2.639 1.00 0.00 C ATOM 1597 O SER A 110 -7.275 9.300 2.076 1.00 0.00 O ATOM 1598 CB SER A 110 -5.991 8.250 4.976 1.00 0.00 C ATOM 1599 OG SER A 110 -6.895 7.276 5.455 1.00 0.00 O ATOM 0 H SER A 110 -5.256 10.001 2.869 1.00 0.00 H new ATOM 0 HA SER A 110 -5.340 7.075 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.049 8.173 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.390 9.246 5.169 1.00 0.00 H new ATOM 0 HG SER A 110 -7.162 7.500 6.371 1.00 0.00 H new ATOM 1605 N LEU A 111 -7.835 7.175 2.577 1.00 0.00 N ATOM 1606 CA LEU A 111 -9.061 7.086 1.787 1.00 0.00 C ATOM 1607 C LEU A 111 -10.204 6.704 2.730 1.00 0.00 C ATOM 1608 O LEU A 111 -10.005 5.918 3.662 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.928 6.044 0.657 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.651 6.133 -0.202 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -7.621 5.008 -1.230 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -7.473 7.453 -0.963 1.00 0.00 C ATOM 0 H LEU A 111 -7.650 6.321 3.103 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.259 8.048 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.974 5.049 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.791 6.140 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.837 6.057 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.713 5.086 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.637 4.046 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.492 5.087 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.547 7.420 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.315 7.599 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.430 8.279 -0.253 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.401 7.235 2.482 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.586 7.075 3.321 1.00 0.00 C ATOM 1626 C VAL A 112 -13.760 6.773 2.393 1.00 0.00 C ATOM 1627 O VAL A 112 -13.996 7.533 1.450 1.00 0.00 O ATOM 1628 CB VAL A 112 -12.837 8.365 4.138 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -14.097 8.257 5.011 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -11.655 8.766 5.041 1.00 0.00 C ATOM 0 H VAL A 112 -11.578 7.811 1.659 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.455 6.262 4.035 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.969 9.140 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.235 9.184 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.966 8.082 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.985 7.428 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.904 9.679 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.453 7.966 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.770 8.938 4.428 1.00 0.00 H new ATOM 1640 N PHE A 113 -14.491 5.690 2.648 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.693 5.319 1.914 1.00 0.00 C ATOM 1642 C PHE A 113 -16.895 5.347 2.868 1.00 0.00 C ATOM 1643 O PHE A 113 -16.715 5.467 4.084 1.00 0.00 O ATOM 1644 CB PHE A 113 -15.454 3.958 1.251 1.00 0.00 C ATOM 1645 CG PHE A 113 -14.691 4.019 -0.062 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -13.330 4.375 -0.078 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -15.338 3.714 -1.278 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -12.637 4.463 -1.297 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -14.643 3.800 -2.496 1.00 0.00 C ATOM 1650 CZ PHE A 113 -13.294 4.186 -2.509 1.00 0.00 C ATOM 0 H PHE A 113 -14.256 5.031 3.390 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.921 6.027 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -14.906 3.322 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -16.418 3.480 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.816 4.581 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -16.375 3.412 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.594 4.745 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -15.147 3.569 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.763 4.270 -3.446 1.00 0.00 H new ATOM 1796 N ASP A 123 -8.652 6.709 -7.460 1.00 0.00 N ATOM 1797 CA ASP A 123 -8.834 6.561 -6.006 1.00 0.00 C ATOM 1798 C ASP A 123 -7.508 6.420 -5.262 1.00 0.00 C ATOM 1799 O ASP A 123 -7.339 6.977 -4.179 1.00 0.00 O ATOM 1800 CB ASP A 123 -9.711 5.342 -5.672 1.00 0.00 C ATOM 1801 CG ASP A 123 -10.623 5.671 -4.501 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -11.552 6.494 -4.676 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -10.372 5.180 -3.381 1.00 0.00 O ATOM 0 HA ASP A 123 -9.326 7.476 -5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -10.306 5.061 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.082 4.486 -5.426 1.00 0.00 H new ATOM 1808 N LEU A 124 -6.562 5.682 -5.851 1.00 0.00 N ATOM 1809 CA LEU A 124 -5.203 5.568 -5.358 1.00 0.00 C ATOM 1810 C LEU A 124 -4.309 5.510 -6.579 1.00 0.00 C ATOM 1811 O LEU A 124 -4.393 4.551 -7.350 1.00 0.00 O ATOM 1812 CB LEU A 124 -5.025 4.321 -4.475 1.00 0.00 C ATOM 1813 CG LEU A 124 -4.246 4.649 -3.189 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -4.233 3.401 -2.307 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -2.806 5.098 -3.444 1.00 0.00 C ATOM 0 H LEU A 124 -6.731 5.141 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.948 6.419 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.003 3.914 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.497 3.549 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.750 5.486 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.685 3.610 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.257 3.118 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.748 2.584 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.318 5.312 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.264 4.306 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.809 5.997 -4.061 1.00 0.00 H new ATOM 1827 N ASN A 125 -3.505 6.549 -6.773 1.00 0.00 N ATOM 1828 CA ASN A 125 -2.629 6.708 -7.921 1.00 0.00 C ATOM 1829 C ASN A 125 -1.352 7.393 -7.428 1.00 0.00 C ATOM 1830 O ASN A 125 -1.158 8.592 -7.653 1.00 0.00 O ATOM 1831 CB ASN A 125 -3.383 7.499 -9.007 1.00 0.00 C ATOM 1832 CG ASN A 125 -2.714 7.372 -10.363 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -3.271 6.757 -11.268 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.527 7.917 -10.541 1.00 0.00 N ATOM 0 H ASN A 125 -3.445 7.326 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 125 -2.341 5.760 -8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -4.409 7.138 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.432 8.550 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.056 7.831 -11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.079 8.424 -9.778 1.00 0.00 H new ATOM 1841 N LEU A 126 -0.544 6.678 -6.649 1.00 0.00 N ATOM 1842 CA LEU A 126 0.682 7.142 -6.002 1.00 0.00 C ATOM 1843 C LEU A 126 1.852 6.456 -6.705 1.00 0.00 C ATOM 1844 O LEU A 126 1.777 5.268 -7.033 1.00 0.00 O ATOM 1845 CB LEU A 126 0.660 6.765 -4.500 1.00 0.00 C ATOM 1846 CG LEU A 126 0.694 7.942 -3.514 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -0.562 8.804 -3.642 1.00 0.00 C ATOM 1848 CD2 LEU A 126 0.768 7.405 -2.079 1.00 0.00 C ATOM 0 H LEU A 126 -0.739 5.699 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 126 0.775 8.226 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.238 6.179 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.514 6.119 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 126 1.569 8.550 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.511 9.630 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.630 9.200 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.443 8.198 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.792 8.240 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.106 6.787 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.671 6.806 -1.961 1.00 0.00 H new ATOM 1860 N TYR A 127 2.941 7.178 -6.937 1.00 0.00 N ATOM 1861 CA TYR A 127 4.188 6.584 -7.402 1.00 0.00 C ATOM 1862 C TYR A 127 5.343 7.456 -6.947 1.00 0.00 C ATOM 1863 O TYR A 127 5.274 8.675 -7.123 1.00 0.00 O ATOM 1864 CB TYR A 127 4.164 6.444 -8.932 1.00 0.00 C ATOM 1865 CG TYR A 127 5.519 6.184 -9.556 1.00 0.00 C ATOM 1866 CD1 TYR A 127 6.339 7.264 -9.933 1.00 0.00 C ATOM 1867 CD2 TYR A 127 5.970 4.867 -9.748 1.00 0.00 C ATOM 1868 CE1 TYR A 127 7.598 7.033 -10.507 1.00 0.00 C ATOM 1869 CE2 TYR A 127 7.228 4.628 -10.323 1.00 0.00 C ATOM 1870 CZ TYR A 127 8.045 5.712 -10.708 1.00 0.00 C ATOM 1871 OH TYR A 127 9.191 5.516 -11.410 1.00 0.00 O ATOM 0 H TYR A 127 2.985 8.189 -6.809 1.00 0.00 H new ATOM 0 HA TYR A 127 4.311 5.586 -6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 127 3.491 5.629 -9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 127 3.748 7.355 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 127 5.997 8.277 -9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 127 5.347 4.036 -9.452 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.223 7.866 -10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 127 7.571 3.614 -10.471 1.00 0.00 H new ATOM 0 HH TYR A 127 9.331 4.556 -11.546 1.00 0.00 H new ATOM 1881 N TYR A 128 6.410 6.844 -6.435 1.00 0.00 N ATOM 1882 CA TYR A 128 7.670 7.497 -6.119 1.00 0.00 C ATOM 1883 C TYR A 128 8.781 6.854 -6.933 1.00 0.00 C ATOM 1884 O TYR A 128 8.763 5.637 -7.141 1.00 0.00 O ATOM 1885 CB TYR A 128 8.000 7.335 -4.625 1.00 0.00 C ATOM 1886 CG TYR A 128 6.940 7.781 -3.635 1.00 0.00 C ATOM 1887 CD1 TYR A 128 6.005 8.794 -3.936 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.856 7.102 -2.410 1.00 0.00 C ATOM 1889 CE1 TYR A 128 4.920 9.034 -3.075 1.00 0.00 C ATOM 1890 CE2 TYR A 128 5.800 7.369 -1.528 1.00 0.00 C ATOM 1891 CZ TYR A 128 4.808 8.313 -1.870 1.00 0.00 C ATOM 1892 OH TYR A 128 3.707 8.472 -1.095 1.00 0.00 O ATOM 0 H TYR A 128 6.416 5.846 -6.223 1.00 0.00 H new ATOM 0 HA TYR A 128 7.585 8.558 -6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.218 6.284 -4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.914 7.892 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 128 6.123 9.387 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.607 6.372 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.174 9.770 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.745 6.850 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 128 3.004 8.917 -1.613 1.00 0.00 H new ATOM 1902 N ASN A 129 9.783 7.664 -7.281 1.00 0.00 N ATOM 1903 CA ASN A 129 11.140 7.203 -7.529 1.00 0.00 C ATOM 1904 C ASN A 129 12.034 8.024 -6.636 1.00 0.00 C ATOM 1905 O ASN A 129 12.068 9.261 -6.794 1.00 0.00 O ATOM 1906 CB ASN A 129 11.573 7.194 -9.006 1.00 0.00 C ATOM 1907 CG ASN A 129 11.911 8.553 -9.602 1.00 0.00 C ATOM 1908 OD1 ASN A 129 13.063 8.860 -9.903 1.00 0.00 O ATOM 1909 ND2 ASN A 129 10.897 9.372 -9.826 1.00 0.00 N ATOM 0 H ASN A 129 9.668 8.671 -7.399 1.00 0.00 H new ATOM 0 HA ASN A 129 11.212 6.143 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 129 12.444 6.547 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 129 10.774 6.747 -9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.062 10.281 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.950 9.094 -9.567 1.00 0.00 H new