USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 560 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 388 CYS SG : rot -173:sc= -2.27! USER MOD Set 1.2: A 390 HIS : no HD1:sc= -5.7! C(o=-20!,f=-27!) USER MOD Set 1.3: A 392 MET CE :methyl 151:sc= -6.48! (180deg=-9.56!) USER MOD Set 1.4: A 408 CYS SG : rot -41:sc= -5.2! USER MOD Set 1.5: A 411 CYS SG : rot -125:sc= -0.374 USER MOD Set 2.1: A 373 CYS SG : rot -178:sc= 0.36 USER MOD Set 2.2: A 376 CYS SG : rot -122:sc= -8.9! USER MOD Set 2.3: A 379 ASN : amide:sc= -0.303 K(o=-59,f=-61) USER MOD Set 2.4: A 393 CYS SG : rot 98:sc= -27.3! USER MOD Set 2.5: A 395 SER OG : rot 140:sc= 0 USER MOD Set 2.6: A 396 CYS SG : rot 136:sc= -22.5! USER MOD Single : A 350 SER OG : rot -13:sc= 0.408 USER MOD Single : A 352 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-3!) USER MOD Single : A 354 LYS NZ :NH3+ -127:sc= 0.0821 (180deg=0) USER MOD Single : A 356 THR OG1 : rot -160:sc= -2.28 USER MOD Single : A 357 GLN :FLIP amide:sc= -1.92! C(o=-3.7!,f=-1.9!) USER MOD Single : A 359 GLN : amide:sc= -3.76! C(o=-3.8!,f=-7!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 66:sc= -0.0235 USER MOD Single : A 366 MET CE :methyl -119:sc= -0.0307 (180deg=-0.362) USER MOD Single : A 368 SER OG : rot 180:sc= -0.618 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -10.9! C(o=-11!,f=-16!) USER MOD Single : A 374 LYS NZ :NH3+ -139:sc= -2.67! (180deg=-4.61!) USER MOD Single : A 381 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0991) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot 124:sc= 0.0752 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.1!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 37:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.651 9.382 -1.500 1.00 50.41 N ATOM 64 CA SER A 350 -1.332 10.037 -0.396 1.00 22.44 C ATOM 65 C SER A 350 -2.740 10.456 -0.823 1.00 63.13 C ATOM 66 O SER A 350 -2.924 11.013 -1.905 1.00 21.25 O ATOM 67 CB SER A 350 -0.542 11.252 0.096 1.00 74.42 C ATOM 68 OG SER A 350 0.129 11.919 -0.970 1.00 20.53 O ATOM 0 HA SER A 350 -1.406 9.328 0.428 1.00 22.44 H new ATOM 0 HB2 SER A 350 -1.219 11.949 0.591 1.00 74.42 H new ATOM 0 HB3 SER A 350 0.187 10.933 0.841 1.00 74.42 H new ATOM 0 HG SER A 350 0.125 11.348 -1.767 1.00 20.53 H new ATOM 74 N ASP A 351 -3.697 10.172 0.047 1.00 11.24 N ATOM 75 CA ASP A 351 -5.083 10.513 -0.227 1.00 21.15 C ATOM 76 C ASP A 351 -5.359 11.937 0.261 1.00 35.51 C ATOM 77 O ASP A 351 -4.448 12.632 0.708 1.00 73.51 O ATOM 78 CB ASP A 351 -6.037 9.568 0.506 1.00 15.33 C ATOM 79 CG ASP A 351 -7.377 9.331 -0.194 1.00 10.40 C ATOM 80 OD1 ASP A 351 -8.421 9.847 0.233 1.00 21.53 O ATOM 81 OD2 ASP A 351 -7.321 8.572 -1.235 1.00 31.40 O ATOM 0 H ASP A 351 -3.541 9.709 0.943 1.00 11.24 H new ATOM 0 HA ASP A 351 -5.246 10.428 -1.301 1.00 21.15 H new ATOM 0 HB2 ASP A 351 -5.540 8.607 0.641 1.00 15.33 H new ATOM 0 HB3 ASP A 351 -6.230 9.970 1.501 1.00 15.33 H new ATOM 87 N HIS A 352 -6.621 12.328 0.159 1.00 50.23 N ATOM 88 CA HIS A 352 -7.029 13.656 0.584 1.00 51.43 C ATOM 89 C HIS A 352 -8.406 13.583 1.247 1.00 21.50 C ATOM 90 O HIS A 352 -9.240 12.762 0.866 1.00 45.42 O ATOM 91 CB HIS A 352 -6.988 14.639 -0.589 1.00 22.53 C ATOM 92 CG HIS A 352 -5.621 15.226 -0.850 1.00 13.14 C ATOM 93 ND1 HIS A 352 -4.965 16.033 0.064 1.00 73.13 N ATOM 94 CD2 HIS A 352 -4.795 15.115 -1.929 1.00 24.12 C ATOM 95 CE1 HIS A 352 -3.798 16.386 -0.453 1.00 42.44 C ATOM 96 NE2 HIS A 352 -3.694 15.817 -1.688 1.00 71.14 N ATOM 0 H HIS A 352 -7.374 11.748 -0.212 1.00 50.23 H new ATOM 0 HA HIS A 352 -6.326 14.035 1.326 1.00 51.43 H new ATOM 0 HB2 HIS A 352 -7.331 14.129 -1.489 1.00 22.53 H new ATOM 0 HB3 HIS A 352 -7.690 15.450 -0.395 1.00 22.53 H new ATOM 0 HD1 HIS A 352 -5.320 16.309 0.980 1.00 73.13 H new ATOM 0 HD2 HIS A 352 -5.001 14.552 -2.827 1.00 24.12 H new ATOM 0 HE1 HIS A 352 -3.058 17.014 0.020 1.00 42.44 H new ATOM 104 N ILE A 353 -8.602 14.451 2.228 1.00 24.25 N ATOM 105 CA ILE A 353 -9.863 14.494 2.949 1.00 41.54 C ATOM 106 C ILE A 353 -10.358 15.941 3.014 1.00 21.33 C ATOM 107 O ILE A 353 -9.573 16.876 2.869 1.00 41.40 O ATOM 108 CB ILE A 353 -9.720 13.830 4.320 1.00 54.34 C ATOM 109 CG1 ILE A 353 -9.540 12.317 4.180 1.00 50.42 C ATOM 110 CG2 ILE A 353 -10.901 14.186 5.226 1.00 24.42 C ATOM 111 CD1 ILE A 353 -9.363 11.658 5.549 1.00 62.42 C ATOM 0 H ILE A 353 -7.909 15.130 2.541 1.00 24.25 H new ATOM 0 HA ILE A 353 -10.624 13.919 2.421 1.00 41.54 H new ATOM 0 HB ILE A 353 -8.820 14.218 4.796 1.00 54.34 H new ATOM 0 HG12 ILE A 353 -10.406 11.889 3.676 1.00 50.42 H new ATOM 0 HG13 ILE A 353 -8.672 12.107 3.556 1.00 50.42 H new ATOM 0 HG21 ILE A 353 -10.776 13.702 6.194 1.00 24.42 H new ATOM 0 HG22 ILE A 353 -10.942 15.267 5.363 1.00 24.42 H new ATOM 0 HG23 ILE A 353 -11.828 13.844 4.767 1.00 24.42 H new ATOM 0 HD11 ILE A 353 -9.237 10.583 5.422 1.00 62.42 H new ATOM 0 HD12 ILE A 353 -8.482 12.071 6.040 1.00 62.42 H new ATOM 0 HD13 ILE A 353 -10.244 11.850 6.162 1.00 62.42 H new ATOM 123 N LYS A 354 -11.657 16.078 3.233 1.00 13.43 N ATOM 124 CA LYS A 354 -12.266 17.395 3.320 1.00 33.21 C ATOM 125 C LYS A 354 -13.088 17.488 4.607 1.00 1.14 C ATOM 126 O LYS A 354 -13.847 16.576 4.931 1.00 53.12 O ATOM 127 CB LYS A 354 -13.070 17.698 2.054 1.00 33.31 C ATOM 128 CG LYS A 354 -13.623 19.124 2.084 1.00 42.24 C ATOM 129 CD LYS A 354 -12.503 20.150 1.896 1.00 72.25 C ATOM 130 CE LYS A 354 -13.059 21.480 1.383 1.00 64.14 C ATOM 131 NZ LYS A 354 -11.961 22.350 0.905 1.00 40.21 N ATOM 0 H LYS A 354 -12.305 15.299 3.353 1.00 13.43 H new ATOM 0 HA LYS A 354 -11.498 18.167 3.375 1.00 33.21 H new ATOM 0 HB2 LYS A 354 -12.436 17.568 1.177 1.00 33.31 H new ATOM 0 HB3 LYS A 354 -13.891 16.987 1.962 1.00 33.31 H new ATOM 0 HG2 LYS A 354 -14.368 19.246 1.298 1.00 42.24 H new ATOM 0 HG3 LYS A 354 -14.129 19.302 3.033 1.00 42.24 H new ATOM 0 HD2 LYS A 354 -11.987 20.308 2.843 1.00 72.25 H new ATOM 0 HD3 LYS A 354 -11.766 19.764 1.192 1.00 72.25 H new ATOM 0 HE2 LYS A 354 -13.765 21.298 0.573 1.00 64.14 H new ATOM 0 HE3 LYS A 354 -13.609 21.982 2.179 1.00 64.14 H new ATOM 0 HZ1 LYS A 354 -12.026 23.278 1.370 1.00 40.21 H new ATOM 0 HZ2 LYS A 354 -11.046 21.911 1.133 1.00 40.21 H new ATOM 0 HZ3 LYS A 354 -12.039 22.473 -0.125 1.00 40.21 H new ATOM 144 N VAL A 355 -12.908 18.599 5.307 1.00 30.42 N ATOM 145 CA VAL A 355 -13.623 18.823 6.552 1.00 72.10 C ATOM 146 C VAL A 355 -14.880 19.650 6.271 1.00 24.24 C ATOM 147 O VAL A 355 -15.004 20.255 5.208 1.00 72.23 O ATOM 148 CB VAL A 355 -12.695 19.475 7.579 1.00 51.34 C ATOM 149 CG1 VAL A 355 -13.486 19.998 8.779 1.00 35.53 C ATOM 150 CG2 VAL A 355 -11.601 18.503 8.024 1.00 44.42 C ATOM 0 H VAL A 355 -12.277 19.353 5.035 1.00 30.42 H new ATOM 0 HA VAL A 355 -13.947 17.875 6.983 1.00 72.10 H new ATOM 0 HB VAL A 355 -12.212 20.327 7.101 1.00 51.34 H new ATOM 0 HG11 VAL A 355 -12.802 20.456 9.494 1.00 35.53 H new ATOM 0 HG12 VAL A 355 -14.210 20.740 8.442 1.00 35.53 H new ATOM 0 HG13 VAL A 355 -14.010 19.171 9.258 1.00 35.53 H new ATOM 0 HG21 VAL A 355 -10.955 18.991 8.754 1.00 44.42 H new ATOM 0 HG22 VAL A 355 -12.058 17.623 8.476 1.00 44.42 H new ATOM 0 HG23 VAL A 355 -11.009 18.201 7.160 1.00 44.42 H new ATOM 160 N THR A 356 -15.779 19.649 7.244 1.00 11.11 N ATOM 161 CA THR A 356 -17.021 20.392 7.115 1.00 34.32 C ATOM 162 C THR A 356 -17.200 21.342 8.301 1.00 42.45 C ATOM 163 O THR A 356 -16.619 21.131 9.364 1.00 63.33 O ATOM 164 CB THR A 356 -18.162 19.383 6.968 1.00 32.13 C ATOM 165 OG1 THR A 356 -18.069 18.580 8.142 1.00 41.01 O ATOM 166 CG2 THR A 356 -17.928 18.396 5.822 1.00 3.54 C ATOM 0 H THR A 356 -15.672 19.146 8.125 1.00 11.11 H new ATOM 0 HA THR A 356 -17.012 21.027 6.229 1.00 34.32 H new ATOM 0 HB THR A 356 -19.098 19.916 6.802 1.00 32.13 H new ATOM 0 HG1 THR A 356 -18.536 17.731 7.996 1.00 41.01 H new ATOM 0 HG21 THR A 356 -18.767 17.703 5.762 1.00 3.54 H new ATOM 0 HG22 THR A 356 -17.841 18.943 4.883 1.00 3.54 H new ATOM 0 HG23 THR A 356 -17.009 17.839 6.004 1.00 3.54 H new ATOM 174 N GLN A 357 -18.006 22.370 8.078 1.00 71.13 N ATOM 175 CA GLN A 357 -18.268 23.354 9.114 1.00 34.11 C ATOM 176 C GLN A 357 -18.758 22.664 10.389 1.00 54.30 C ATOM 177 O GLN A 357 -18.289 22.970 11.484 1.00 12.31 O ATOM 178 CB GLN A 357 -19.277 24.400 8.635 1.00 63.15 C ATOM 179 CG GLN A 357 -18.602 25.441 7.739 1.00 13.42 C ATOM 180 CD GLN A 357 -19.304 26.796 7.850 1.00 54.34 C ATOM 181 OE1 GLN A 357 -20.625 26.712 7.986 1.00 72.33 O flip ATOM 182 NE2 GLN A 357 -18.688 27.849 7.813 1.00 23.14 N flip ATOM 0 H GLN A 357 -18.486 22.542 7.195 1.00 71.13 H new ATOM 0 HA GLN A 357 -17.336 23.873 9.339 1.00 34.11 H new ATOM 0 HB2 GLN A 357 -20.082 23.910 8.087 1.00 63.15 H new ATOM 0 HB3 GLN A 357 -19.731 24.894 9.494 1.00 63.15 H new ATOM 0 HG2 GLN A 357 -17.555 25.546 8.022 1.00 13.42 H new ATOM 0 HG3 GLN A 357 -18.620 25.102 6.703 1.00 13.42 H new ATOM 0 HE21 GLN A 357 -17.674 27.843 7.707 1.00 23.14 H new ATOM 0 HE22 GLN A 357 -19.188 28.735 7.888 1.00 23.14 H new ATOM 191 N GLU A 358 -19.696 21.746 10.204 1.00 2.42 N ATOM 192 CA GLU A 358 -20.254 21.011 11.326 1.00 75.10 C ATOM 193 C GLU A 358 -19.141 20.564 12.275 1.00 2.12 C ATOM 194 O GLU A 358 -19.357 20.447 13.480 1.00 14.04 O ATOM 195 CB GLU A 358 -21.076 19.814 10.842 1.00 2.14 C ATOM 196 CG GLU A 358 -20.233 18.892 9.959 1.00 31.20 C ATOM 197 CD GLU A 358 -20.908 17.529 9.789 1.00 44.01 C ATOM 198 OE1 GLU A 358 -21.290 17.162 8.668 1.00 53.41 O ATOM 199 OE2 GLU A 358 -21.028 16.841 10.873 1.00 23.14 O ATOM 0 H GLU A 358 -20.083 21.495 9.294 1.00 2.42 H new ATOM 0 HA GLU A 358 -20.925 21.674 11.872 1.00 75.10 H new ATOM 0 HB2 GLU A 358 -21.454 19.257 11.699 1.00 2.14 H new ATOM 0 HB3 GLU A 358 -21.943 20.166 10.283 1.00 2.14 H new ATOM 0 HG2 GLU A 358 -20.085 19.353 8.982 1.00 31.20 H new ATOM 0 HG3 GLU A 358 -19.246 18.760 10.402 1.00 31.20 H new ATOM 207 N GLN A 359 -17.973 20.327 11.696 1.00 31.50 N ATOM 208 CA GLN A 359 -16.825 19.895 12.475 1.00 12.14 C ATOM 209 C GLN A 359 -16.119 21.103 13.094 1.00 14.33 C ATOM 210 O GLN A 359 -16.117 21.268 14.313 1.00 12.13 O ATOM 211 CB GLN A 359 -15.858 19.075 11.619 1.00 33.34 C ATOM 212 CG GLN A 359 -16.584 17.919 10.927 1.00 11.30 C ATOM 213 CD GLN A 359 -15.589 16.966 10.262 1.00 3.32 C ATOM 214 OE1 GLN A 359 -14.383 17.137 10.335 1.00 42.43 O ATOM 215 NE2 GLN A 359 -16.159 15.956 9.612 1.00 22.32 N ATOM 0 H GLN A 359 -17.797 20.426 10.696 1.00 31.50 H new ATOM 0 HA GLN A 359 -17.179 19.252 13.281 1.00 12.14 H new ATOM 0 HB2 GLN A 359 -15.394 19.718 10.871 1.00 33.34 H new ATOM 0 HB3 GLN A 359 -15.056 18.683 12.244 1.00 33.34 H new ATOM 0 HG2 GLN A 359 -17.184 17.374 11.655 1.00 11.30 H new ATOM 0 HG3 GLN A 359 -17.272 18.313 10.179 1.00 11.30 H new ATOM 0 HE21 GLN A 359 -17.175 15.872 9.590 1.00 22.32 H new ATOM 0 HE22 GLN A 359 -15.580 15.265 9.135 1.00 22.32 H new ATOM 224 N TYR A 360 -15.538 21.917 12.226 1.00 45.40 N ATOM 225 CA TYR A 360 -14.830 23.106 12.672 1.00 30.41 C ATOM 226 C TYR A 360 -15.555 23.768 13.845 1.00 34.44 C ATOM 227 O TYR A 360 -14.919 24.259 14.776 1.00 24.52 O ATOM 228 CB TYR A 360 -14.828 24.067 11.482 1.00 64.33 C ATOM 229 CG TYR A 360 -13.686 25.085 11.506 1.00 20.14 C ATOM 230 CD1 TYR A 360 -12.386 24.660 11.692 1.00 32.11 C ATOM 231 CD2 TYR A 360 -13.956 26.429 11.343 1.00 60.41 C ATOM 232 CE1 TYR A 360 -11.312 25.618 11.715 1.00 3.33 C ATOM 233 CE2 TYR A 360 -12.881 27.387 11.366 1.00 34.11 C ATOM 234 CZ TYR A 360 -11.612 26.934 11.551 1.00 13.53 C ATOM 235 OH TYR A 360 -10.598 27.840 11.573 1.00 25.42 O ATOM 0 H TYR A 360 -15.543 21.777 11.216 1.00 45.40 H new ATOM 0 HA TYR A 360 -13.824 22.851 13.005 1.00 30.41 H new ATOM 0 HB2 TYR A 360 -14.766 23.488 10.561 1.00 64.33 H new ATOM 0 HB3 TYR A 360 -15.777 24.602 11.459 1.00 64.33 H new ATOM 0 HD1 TYR A 360 -12.175 23.609 11.820 1.00 32.11 H new ATOM 0 HD2 TYR A 360 -14.973 26.762 11.198 1.00 60.41 H new ATOM 0 HE1 TYR A 360 -10.290 25.299 11.859 1.00 3.33 H new ATOM 0 HE2 TYR A 360 -13.078 28.441 11.239 1.00 34.11 H new ATOM 0 HH TYR A 360 -10.961 28.741 11.442 1.00 25.42 H new ATOM 245 N GLU A 361 -16.878 23.760 13.763 1.00 63.55 N ATOM 246 CA GLU A 361 -17.697 24.353 14.806 1.00 45.11 C ATOM 247 C GLU A 361 -17.503 23.602 16.124 1.00 31.45 C ATOM 248 O GLU A 361 -17.213 24.210 17.153 1.00 13.33 O ATOM 249 CB GLU A 361 -19.171 24.376 14.399 1.00 32.01 C ATOM 250 CG GLU A 361 -19.423 25.420 13.309 1.00 33.13 C ATOM 251 CD GLU A 361 -20.862 25.936 13.367 1.00 55.11 C ATOM 252 OE1 GLU A 361 -21.124 27.087 12.986 1.00 30.13 O ATOM 253 OE2 GLU A 361 -21.726 25.094 13.826 1.00 4.40 O ATOM 0 H GLU A 361 -17.403 23.352 12.990 1.00 63.55 H new ATOM 0 HA GLU A 361 -17.378 25.385 14.949 1.00 45.11 H new ATOM 0 HB2 GLU A 361 -19.468 23.391 14.039 1.00 32.01 H new ATOM 0 HB3 GLU A 361 -19.789 24.597 15.269 1.00 32.01 H new ATOM 0 HG2 GLU A 361 -18.729 26.252 13.430 1.00 33.13 H new ATOM 0 HG3 GLU A 361 -19.229 24.983 12.330 1.00 33.13 H new ATOM 261 N LEU A 362 -17.671 22.289 16.051 1.00 13.40 N ATOM 262 CA LEU A 362 -17.519 21.448 17.226 1.00 2.41 C ATOM 263 C LEU A 362 -16.086 21.567 17.751 1.00 55.43 C ATOM 264 O LEU A 362 -15.821 21.476 18.950 1.00 50.13 O ATOM 265 CB LEU A 362 -17.943 20.012 16.915 1.00 25.53 C ATOM 266 CG LEU A 362 -18.411 19.177 18.109 1.00 0.22 C ATOM 267 CD1 LEU A 362 -19.922 19.306 18.309 1.00 12.31 C ATOM 268 CD2 LEU A 362 -17.975 17.718 17.963 1.00 23.03 C ATOM 0 H LEU A 362 -17.911 21.787 15.196 1.00 13.40 H new ATOM 0 HA LEU A 362 -18.180 21.785 18.024 1.00 2.41 H new ATOM 0 HB2 LEU A 362 -18.748 20.043 16.181 1.00 25.53 H new ATOM 0 HB3 LEU A 362 -17.103 19.500 16.446 1.00 25.53 H new ATOM 0 HG LEU A 362 -17.932 19.567 19.007 1.00 0.22 H new ATOM 0 HD11 LEU A 362 -20.229 18.703 19.164 1.00 12.31 H new ATOM 0 HD12 LEU A 362 -20.177 20.350 18.491 1.00 12.31 H new ATOM 0 HD13 LEU A 362 -20.438 18.957 17.415 1.00 12.31 H new ATOM 0 HD21 LEU A 362 -18.320 17.147 18.825 1.00 23.03 H new ATOM 0 HD22 LEU A 362 -18.406 17.299 17.054 1.00 23.03 H new ATOM 0 HD23 LEU A 362 -16.888 17.667 17.906 1.00 23.03 H new ATOM 304 N CYS A 364 -14.326 24.261 17.208 1.00 25.03 N ATOM 305 CA CYS A 364 -14.112 25.667 17.505 1.00 11.31 C ATOM 306 C CYS A 364 -14.257 25.867 19.015 1.00 22.21 C ATOM 307 O CYS A 364 -13.749 26.841 19.568 1.00 42.45 O ATOM 308 CB CYS A 364 -15.069 26.563 16.717 1.00 52.44 C ATOM 309 SG CYS A 364 -14.315 27.028 15.115 1.00 33.02 S ATOM 0 HA CYS A 364 -13.108 25.958 17.196 1.00 11.31 H new ATOM 0 HB2 CYS A 364 -16.011 26.042 16.547 1.00 52.44 H new ATOM 0 HB3 CYS A 364 -15.299 27.459 17.294 1.00 52.44 H new ATOM 0 HG CYS A 364 -14.184 25.969 14.373 1.00 33.02 H new ATOM 315 N GLU A 365 -14.952 24.928 19.640 1.00 53.11 N ATOM 316 CA GLU A 365 -15.170 24.989 21.075 1.00 33.42 C ATOM 317 C GLU A 365 -13.893 24.601 21.823 1.00 71.41 C ATOM 318 O GLU A 365 -13.437 25.332 22.700 1.00 22.24 O ATOM 319 CB GLU A 365 -16.341 24.096 21.490 1.00 33.41 C ATOM 320 CG GLU A 365 -17.554 24.326 20.586 1.00 63.34 C ATOM 321 CD GLU A 365 -18.071 25.760 20.716 1.00 23.11 C ATOM 322 OE1 GLU A 365 -19.045 26.004 21.443 1.00 21.14 O ATOM 323 OE2 GLU A 365 -17.422 26.638 20.029 1.00 4.03 O ATOM 0 H GLU A 365 -15.371 24.121 19.179 1.00 53.11 H new ATOM 0 HA GLU A 365 -15.426 26.015 21.341 1.00 33.42 H new ATOM 0 HB2 GLU A 365 -16.040 23.050 21.441 1.00 33.41 H new ATOM 0 HB3 GLU A 365 -16.611 24.302 22.526 1.00 33.41 H new ATOM 0 HG2 GLU A 365 -17.283 24.126 19.549 1.00 63.34 H new ATOM 0 HG3 GLU A 365 -18.346 23.625 20.849 1.00 63.34 H new ATOM 331 N MET A 366 -13.352 23.451 21.448 1.00 32.30 N ATOM 332 CA MET A 366 -12.137 22.957 22.072 1.00 24.32 C ATOM 333 C MET A 366 -10.939 23.839 21.714 1.00 21.03 C ATOM 334 O MET A 366 -9.891 23.758 22.353 1.00 63.21 O ATOM 335 CB MET A 366 -11.871 21.523 21.609 1.00 31.22 C ATOM 336 CG MET A 366 -11.477 21.488 20.131 1.00 11.11 C ATOM 337 SD MET A 366 -11.229 19.801 19.605 1.00 71.41 S ATOM 338 CE MET A 366 -12.926 19.255 19.502 1.00 3.51 C ATOM 0 H MET A 366 -13.733 22.847 20.720 1.00 32.30 H new ATOM 0 HA MET A 366 -12.272 22.980 23.153 1.00 24.32 H new ATOM 0 HB2 MET A 366 -11.076 21.084 22.211 1.00 31.22 H new ATOM 0 HB3 MET A 366 -12.762 20.915 21.766 1.00 31.22 H new ATOM 0 HG2 MET A 366 -12.255 21.955 19.528 1.00 11.11 H new ATOM 0 HG3 MET A 366 -10.565 22.064 19.976 1.00 11.11 H new ATOM 0 HE1 MET A 366 -13.085 18.430 20.196 1.00 3.51 H new ATOM 0 HE2 MET A 366 -13.590 20.080 19.761 1.00 3.51 H new ATOM 0 HE3 MET A 366 -13.140 18.922 18.486 1.00 3.51 H new ATOM 348 N GLY A 367 -11.134 24.662 20.694 1.00 34.33 N ATOM 349 CA GLY A 367 -10.083 25.558 20.244 1.00 54.22 C ATOM 350 C GLY A 367 -9.008 24.796 19.467 1.00 22.23 C ATOM 351 O GLY A 367 -7.827 25.130 19.545 1.00 43.55 O ATOM 0 H GLY A 367 -12.005 24.727 20.166 1.00 34.33 H new ATOM 0 HA2 GLY A 367 -10.510 26.337 19.612 1.00 54.22 H new ATOM 0 HA3 GLY A 367 -9.632 26.056 21.103 1.00 54.22 H new ATOM 355 N SER A 368 -9.455 23.785 18.737 1.00 52.24 N ATOM 356 CA SER A 368 -8.546 22.973 17.947 1.00 62.43 C ATOM 357 C SER A 368 -9.129 22.741 16.551 1.00 30.44 C ATOM 358 O SER A 368 -10.203 23.248 16.231 1.00 21.23 O ATOM 359 CB SER A 368 -8.265 21.635 18.634 1.00 64.24 C ATOM 360 OG SER A 368 -8.281 21.750 20.054 1.00 42.11 O ATOM 0 H SER A 368 -10.435 23.510 18.676 1.00 52.24 H new ATOM 0 HA SER A 368 -7.601 23.509 17.854 1.00 62.43 H new ATOM 0 HB2 SER A 368 -9.010 20.903 18.321 1.00 64.24 H new ATOM 0 HB3 SER A 368 -7.294 21.259 18.312 1.00 64.24 H new ATOM 0 HG SER A 368 -8.099 20.875 20.455 1.00 42.11 H new ATOM 366 N THR A 369 -8.395 21.974 15.758 1.00 33.23 N ATOM 367 CA THR A 369 -8.826 21.668 14.405 1.00 52.34 C ATOM 368 C THR A 369 -9.055 20.164 14.245 1.00 51.15 C ATOM 369 O THR A 369 -8.561 19.369 15.043 1.00 72.05 O ATOM 370 CB THR A 369 -7.782 22.230 13.438 1.00 51.41 C ATOM 371 OG1 THR A 369 -7.381 23.460 14.036 1.00 30.25 O ATOM 372 CG2 THR A 369 -8.390 22.649 12.098 1.00 52.41 C ATOM 0 H THR A 369 -7.505 21.555 16.027 1.00 33.23 H new ATOM 0 HA THR A 369 -9.784 22.136 14.180 1.00 52.34 H new ATOM 0 HB THR A 369 -7.007 21.483 13.267 1.00 51.41 H new ATOM 0 HG1 THR A 369 -6.703 23.891 13.475 1.00 30.25 H new ATOM 0 HG21 THR A 369 -7.606 23.041 11.449 1.00 52.41 H new ATOM 0 HG22 THR A 369 -8.856 21.785 11.624 1.00 52.41 H new ATOM 0 HG23 THR A 369 -9.142 23.420 12.265 1.00 52.41 H new ATOM 380 N PHE A 370 -9.804 19.819 13.208 1.00 52.13 N ATOM 381 CA PHE A 370 -10.105 18.424 12.933 1.00 44.34 C ATOM 382 C PHE A 370 -8.827 17.637 12.634 1.00 72.12 C ATOM 383 O PHE A 370 -8.413 16.795 13.429 1.00 63.44 O ATOM 384 CB PHE A 370 -11.007 18.396 11.698 1.00 54.43 C ATOM 385 CG PHE A 370 -11.283 16.991 11.160 1.00 61.40 C ATOM 386 CD1 PHE A 370 -12.311 16.258 11.667 1.00 43.13 C ATOM 387 CD2 PHE A 370 -10.500 16.474 10.175 1.00 30.44 C ATOM 388 CE1 PHE A 370 -12.566 14.954 11.168 1.00 74.43 C ATOM 389 CE2 PHE A 370 -10.756 15.169 9.676 1.00 23.15 C ATOM 390 CZ PHE A 370 -11.784 14.436 10.183 1.00 5.52 C ATOM 0 H PHE A 370 -10.211 20.481 12.548 1.00 52.13 H new ATOM 0 HA PHE A 370 -10.587 17.969 13.799 1.00 44.34 H new ATOM 0 HB2 PHE A 370 -11.956 18.873 11.943 1.00 54.43 H new ATOM 0 HB3 PHE A 370 -10.545 18.991 10.910 1.00 54.43 H new ATOM 0 HD1 PHE A 370 -12.933 16.668 12.449 1.00 43.13 H new ATOM 0 HD2 PHE A 370 -9.684 17.056 9.772 1.00 30.44 H new ATOM 0 HE1 PHE A 370 -13.382 14.372 11.571 1.00 74.43 H new ATOM 0 HE2 PHE A 370 -10.134 14.759 8.894 1.00 23.15 H new ATOM 0 HZ PHE A 370 -11.979 13.444 9.804 1.00 5.52 H new ATOM 400 N GLN A 371 -8.239 17.939 11.486 1.00 61.13 N ATOM 401 CA GLN A 371 -7.017 17.270 11.072 1.00 31.11 C ATOM 402 C GLN A 371 -6.035 17.187 12.242 1.00 0.13 C ATOM 403 O GLN A 371 -5.187 16.297 12.284 1.00 32.10 O ATOM 404 CB GLN A 371 -6.383 17.978 9.873 1.00 11.13 C ATOM 405 CG GLN A 371 -6.358 19.494 10.082 1.00 25.43 C ATOM 406 CD GLN A 371 -7.541 20.164 9.382 1.00 73.31 C ATOM 407 OE1 GLN A 371 -7.596 20.275 8.168 1.00 23.11 O ATOM 408 NE2 GLN A 371 -8.483 20.602 10.212 1.00 53.41 N ATOM 0 H GLN A 371 -8.586 18.638 10.829 1.00 61.13 H new ATOM 0 HA GLN A 371 -7.269 16.256 10.761 1.00 31.11 H new ATOM 0 HB2 GLN A 371 -5.367 17.611 9.725 1.00 11.13 H new ATOM 0 HB3 GLN A 371 -6.943 17.741 8.968 1.00 11.13 H new ATOM 0 HG2 GLN A 371 -6.388 19.718 11.148 1.00 25.43 H new ATOM 0 HG3 GLN A 371 -5.424 19.902 9.696 1.00 25.43 H new ATOM 0 HE21 GLN A 371 -8.374 20.477 11.218 1.00 53.41 H new ATOM 0 HE22 GLN A 371 -9.314 21.063 9.842 1.00 53.41 H new ATOM 417 N LEU A 372 -6.182 18.127 13.164 1.00 10.14 N ATOM 418 CA LEU A 372 -5.318 18.172 14.332 1.00 34.31 C ATOM 419 C LEU A 372 -5.509 16.893 15.151 1.00 43.22 C ATOM 420 O LEU A 372 -6.625 16.460 15.437 1.00 45.24 O ATOM 421 CB LEU A 372 -5.562 19.455 15.130 1.00 65.53 C ATOM 422 CG LEU A 372 -4.327 20.086 15.777 1.00 52.13 C ATOM 423 CD1 LEU A 372 -4.729 21.086 16.863 1.00 44.02 C ATOM 424 CD2 LEU A 372 -3.377 19.012 16.310 1.00 71.35 C ATOM 0 H LEU A 372 -6.887 18.864 13.126 1.00 10.14 H new ATOM 0 HA LEU A 372 -4.271 18.206 14.031 1.00 34.31 H new ATOM 0 HB2 LEU A 372 -6.017 20.191 14.467 1.00 65.53 H new ATOM 0 HB3 LEU A 372 -6.289 19.240 15.913 1.00 65.53 H new ATOM 0 HG LEU A 372 -3.786 20.642 15.011 1.00 52.13 H new ATOM 0 HD11 LEU A 372 -3.833 21.520 17.307 1.00 44.02 H new ATOM 0 HD12 LEU A 372 -5.336 21.877 16.423 1.00 44.02 H new ATOM 0 HD13 LEU A 372 -5.305 20.574 17.634 1.00 44.02 H new ATOM 0 HD21 LEU A 372 -2.508 19.488 16.764 1.00 71.35 H new ATOM 0 HD22 LEU A 372 -3.892 18.409 17.057 1.00 71.35 H new ATOM 0 HD23 LEU A 372 -3.053 18.373 15.489 1.00 71.35 H new ATOM 436 N CYS A 373 -4.383 16.293 15.525 1.00 0.02 N ATOM 437 CA CYS A 373 -4.395 15.064 16.310 1.00 53.53 C ATOM 438 C CYS A 373 -4.917 15.324 17.720 1.00 73.11 C ATOM 439 O CYS A 373 -4.373 16.180 18.415 1.00 1.21 O ATOM 440 CB CYS A 373 -2.990 14.463 16.377 1.00 13.10 C ATOM 441 SG CYS A 373 -2.962 12.680 16.753 1.00 53.52 S ATOM 0 H CYS A 373 -3.451 16.638 15.297 1.00 0.02 H new ATOM 0 HA CYS A 373 -5.063 14.356 15.819 1.00 53.53 H new ATOM 0 HB2 CYS A 373 -2.489 14.630 15.424 1.00 13.10 H new ATOM 0 HB3 CYS A 373 -2.415 14.993 17.137 1.00 13.10 H new ATOM 0 HG CYS A 373 -1.730 12.273 16.833 1.00 53.52 H new ATOM 446 N LYS A 374 -5.949 14.588 18.106 1.00 14.43 N ATOM 447 CA LYS A 374 -6.530 14.750 19.428 1.00 32.25 C ATOM 448 C LYS A 374 -5.841 13.793 20.404 1.00 40.42 C ATOM 449 O LYS A 374 -6.371 13.506 21.476 1.00 72.33 O ATOM 450 CB LYS A 374 -8.050 14.580 19.371 1.00 64.34 C ATOM 451 CG LYS A 374 -8.602 15.040 18.020 1.00 2.31 C ATOM 452 CD LYS A 374 -8.169 16.475 17.711 1.00 23.11 C ATOM 453 CE LYS A 374 -8.591 17.428 18.831 1.00 54.35 C ATOM 454 NZ LYS A 374 -9.812 16.930 19.503 1.00 61.51 N ATOM 0 H LYS A 374 -6.398 13.878 17.527 1.00 14.43 H new ATOM 0 HA LYS A 374 -6.359 15.761 19.797 1.00 32.25 H new ATOM 0 HB2 LYS A 374 -8.309 13.534 19.537 1.00 64.34 H new ATOM 0 HB3 LYS A 374 -8.514 15.155 20.172 1.00 64.34 H new ATOM 0 HG2 LYS A 374 -8.250 14.373 17.233 1.00 2.31 H new ATOM 0 HG3 LYS A 374 -9.690 14.978 18.028 1.00 2.31 H new ATOM 0 HD2 LYS A 374 -7.087 16.513 17.585 1.00 23.11 H new ATOM 0 HD3 LYS A 374 -8.611 16.797 16.768 1.00 23.11 H new ATOM 0 HE2 LYS A 374 -7.784 17.526 19.557 1.00 54.35 H new ATOM 0 HE3 LYS A 374 -8.774 18.422 18.422 1.00 54.35 H new ATOM 0 HZ1 LYS A 374 -10.451 17.727 19.697 1.00 61.51 H new ATOM 0 HZ2 LYS A 374 -10.292 16.243 18.887 1.00 61.51 H new ATOM 0 HZ3 LYS A 374 -9.552 16.469 20.398 1.00 61.51 H new ATOM 467 N ILE A 375 -4.669 13.327 19.997 1.00 14.20 N ATOM 468 CA ILE A 375 -3.902 12.409 20.822 1.00 51.24 C ATOM 469 C ILE A 375 -2.662 13.127 21.358 1.00 11.01 C ATOM 470 O ILE A 375 -2.131 12.758 22.404 1.00 24.21 O ATOM 471 CB ILE A 375 -3.584 11.130 20.045 1.00 33.43 C ATOM 472 CG1 ILE A 375 -4.866 10.458 19.548 1.00 64.35 C ATOM 473 CG2 ILE A 375 -2.727 10.179 20.883 1.00 23.20 C ATOM 474 CD1 ILE A 375 -4.545 9.208 18.725 1.00 35.10 C ATOM 0 H ILE A 375 -4.232 13.568 19.107 1.00 14.20 H new ATOM 0 HA ILE A 375 -4.487 12.093 21.686 1.00 51.24 H new ATOM 0 HB ILE A 375 -3.000 11.400 19.165 1.00 33.43 H new ATOM 0 HG12 ILE A 375 -5.492 10.187 20.398 1.00 64.35 H new ATOM 0 HG13 ILE A 375 -5.438 11.160 18.942 1.00 64.35 H new ATOM 0 HG21 ILE A 375 -2.515 9.278 20.308 1.00 23.20 H new ATOM 0 HG22 ILE A 375 -1.790 10.670 21.146 1.00 23.20 H new ATOM 0 HG23 ILE A 375 -3.264 9.911 21.793 1.00 23.20 H new ATOM 0 HD11 ILE A 375 -5.473 8.749 18.384 1.00 35.10 H new ATOM 0 HD12 ILE A 375 -3.939 9.486 17.863 1.00 35.10 H new ATOM 0 HD13 ILE A 375 -3.994 8.498 19.342 1.00 35.10 H new ATOM 486 N CYS A 376 -2.237 14.140 20.617 1.00 31.03 N ATOM 487 CA CYS A 376 -1.070 14.913 21.005 1.00 24.14 C ATOM 488 C CYS A 376 -1.419 16.398 20.895 1.00 4.52 C ATOM 489 O CYS A 376 -1.165 17.170 21.819 1.00 21.54 O ATOM 490 CB CYS A 376 0.155 14.550 20.163 1.00 53.25 C ATOM 491 SG CYS A 376 -0.147 14.489 18.359 1.00 65.44 S ATOM 0 H CYS A 376 -2.680 14.443 19.750 1.00 31.03 H new ATOM 0 HA CYS A 376 -0.802 14.679 22.035 1.00 24.14 H new ATOM 0 HB2 CYS A 376 0.943 15.276 20.361 1.00 53.25 H new ATOM 0 HB3 CYS A 376 0.527 13.579 20.488 1.00 53.25 H new ATOM 0 HG CYS A 376 0.148 13.305 17.909 1.00 65.44 H new ATOM 496 N ALA A 377 -1.995 16.755 19.757 1.00 51.31 N ATOM 497 CA ALA A 377 -2.381 18.135 19.514 1.00 75.20 C ATOM 498 C ALA A 377 -1.129 18.970 19.241 1.00 51.14 C ATOM 499 O ALA A 377 -0.986 20.072 19.769 1.00 61.33 O ATOM 500 CB ALA A 377 -3.183 18.658 20.708 1.00 44.54 C ATOM 0 H ALA A 377 -2.204 16.113 18.993 1.00 51.31 H new ATOM 0 HA ALA A 377 -3.021 18.206 18.635 1.00 75.20 H new ATOM 0 HB1 ALA A 377 -3.473 19.693 20.526 1.00 44.54 H new ATOM 0 HB2 ALA A 377 -4.077 18.049 20.841 1.00 44.54 H new ATOM 0 HB3 ALA A 377 -2.571 18.605 21.608 1.00 44.54 H new ATOM 506 N GLU A 378 -0.254 18.414 18.416 1.00 70.20 N ATOM 507 CA GLU A 378 0.982 19.094 18.066 1.00 34.31 C ATOM 508 C GLU A 378 1.093 19.245 16.548 1.00 71.54 C ATOM 509 O GLU A 378 1.494 20.297 16.053 1.00 75.14 O ATOM 510 CB GLU A 378 2.194 18.354 18.634 1.00 63.41 C ATOM 511 CG GLU A 378 3.474 19.169 18.440 1.00 65.34 C ATOM 512 CD GLU A 378 4.715 18.293 18.624 1.00 64.23 C ATOM 513 OE1 GLU A 378 5.120 17.586 17.688 1.00 12.15 O ATOM 514 OE2 GLU A 378 5.265 18.365 19.788 1.00 25.44 O ATOM 0 H GLU A 378 -0.376 17.500 17.980 1.00 70.20 H new ATOM 0 HA GLU A 378 0.965 20.089 18.510 1.00 34.31 H new ATOM 0 HB2 GLU A 378 2.041 18.158 19.695 1.00 63.41 H new ATOM 0 HB3 GLU A 378 2.297 17.386 18.143 1.00 63.41 H new ATOM 0 HG2 GLU A 378 3.481 19.611 17.443 1.00 65.34 H new ATOM 0 HG3 GLU A 378 3.497 19.993 19.154 1.00 65.34 H new ATOM 522 N ASN A 379 0.731 18.177 15.851 1.00 42.31 N ATOM 523 CA ASN A 379 0.785 18.178 14.399 1.00 64.22 C ATOM 524 C ASN A 379 -0.515 17.594 13.844 1.00 15.00 C ATOM 525 O ASN A 379 -1.379 17.160 14.605 1.00 53.05 O ATOM 526 CB ASN A 379 1.944 17.318 13.891 1.00 61.24 C ATOM 527 CG ASN A 379 3.180 17.483 14.778 1.00 74.50 C ATOM 528 OD1 ASN A 379 3.587 18.580 15.122 1.00 71.01 O ATOM 529 ND2 ASN A 379 3.751 16.334 15.128 1.00 22.11 N ATOM 0 H ASN A 379 0.399 17.306 16.265 1.00 42.31 H new ATOM 0 HA ASN A 379 0.926 19.207 14.067 1.00 64.22 H new ATOM 0 HB2 ASN A 379 1.643 16.271 13.872 1.00 61.24 H new ATOM 0 HB3 ASN A 379 2.187 17.598 12.866 1.00 61.24 H new ATOM 0 HD21 ASN A 379 4.582 16.337 15.720 1.00 22.11 H new ATOM 0 HD22 ASN A 379 3.358 15.450 14.805 1.00 22.11 H new ATOM 536 N ASP A 380 -0.614 17.602 12.523 1.00 52.22 N ATOM 537 CA ASP A 380 -1.795 17.079 11.857 1.00 32.13 C ATOM 538 C ASP A 380 -1.649 15.566 11.685 1.00 75.33 C ATOM 539 O ASP A 380 -0.538 15.057 11.544 1.00 12.42 O ATOM 540 CB ASP A 380 -1.965 17.699 10.469 1.00 32.10 C ATOM 541 CG ASP A 380 -0.705 17.698 9.602 1.00 62.04 C ATOM 542 OD1 ASP A 380 -0.733 18.116 8.434 1.00 24.44 O ATOM 543 OD2 ASP A 380 0.353 17.238 10.178 1.00 25.13 O ATOM 0 H ASP A 380 0.105 17.963 11.895 1.00 52.22 H new ATOM 0 HA ASP A 380 -2.663 17.323 12.469 1.00 32.13 H new ATOM 0 HB2 ASP A 380 -2.752 17.160 9.941 1.00 32.10 H new ATOM 0 HB3 ASP A 380 -2.306 18.728 10.586 1.00 32.10 H new ATOM 549 N LYS A 381 -2.788 14.888 11.701 1.00 1.10 N ATOM 550 CA LYS A 381 -2.801 13.443 11.548 1.00 11.20 C ATOM 551 C LYS A 381 -2.003 13.059 10.300 1.00 1.45 C ATOM 552 O LYS A 381 -1.062 12.272 10.379 1.00 24.44 O ATOM 553 CB LYS A 381 -4.238 12.918 11.544 1.00 31.13 C ATOM 554 CG LYS A 381 -4.955 13.274 12.848 1.00 34.11 C ATOM 555 CD LYS A 381 -6.443 13.534 12.602 1.00 1.12 C ATOM 556 CE LYS A 381 -7.275 13.163 13.831 1.00 20.33 C ATOM 557 NZ LYS A 381 -8.717 13.350 13.557 1.00 52.52 N ATOM 0 H LYS A 381 -3.708 15.313 11.818 1.00 1.10 H new ATOM 0 HA LYS A 381 -2.313 12.966 12.398 1.00 11.20 H new ATOM 0 HB2 LYS A 381 -4.781 13.341 10.699 1.00 31.13 H new ATOM 0 HB3 LYS A 381 -4.233 11.836 11.411 1.00 31.13 H new ATOM 0 HG2 LYS A 381 -4.838 12.462 13.565 1.00 34.11 H new ATOM 0 HG3 LYS A 381 -4.496 14.158 13.290 1.00 34.11 H new ATOM 0 HD2 LYS A 381 -6.597 14.585 12.358 1.00 1.12 H new ATOM 0 HD3 LYS A 381 -6.780 12.955 11.742 1.00 1.12 H new ATOM 0 HE2 LYS A 381 -7.083 12.126 14.108 1.00 20.33 H new ATOM 0 HE3 LYS A 381 -6.977 13.780 14.679 1.00 20.33 H new ATOM 0 HZ1 LYS A 381 -9.274 12.923 14.324 1.00 52.52 H new ATOM 0 HZ2 LYS A 381 -8.930 14.366 13.499 1.00 52.52 H new ATOM 0 HZ3 LYS A 381 -8.961 12.893 12.655 1.00 52.52 H new ATOM 570 N ASP A 382 -2.408 13.634 9.178 1.00 52.23 N ATOM 571 CA ASP A 382 -1.742 13.362 7.915 1.00 15.30 C ATOM 572 C ASP A 382 -1.666 11.850 7.699 1.00 31.52 C ATOM 573 O ASP A 382 -0.785 11.364 6.992 1.00 61.52 O ATOM 574 CB ASP A 382 -0.315 13.912 7.915 1.00 1.54 C ATOM 575 CG ASP A 382 0.712 13.044 8.645 1.00 45.43 C ATOM 576 OD1 ASP A 382 1.230 12.064 8.089 1.00 42.43 O ATOM 577 OD2 ASP A 382 0.981 13.414 9.851 1.00 14.50 O ATOM 0 H ASP A 382 -3.189 14.287 9.116 1.00 52.23 H new ATOM 0 HA ASP A 382 -2.314 13.844 7.122 1.00 15.30 H new ATOM 0 HB2 ASP A 382 0.009 14.041 6.882 1.00 1.54 H new ATOM 0 HB3 ASP A 382 -0.323 14.901 8.372 1.00 1.54 H new ATOM 583 N VAL A 383 -2.601 11.147 8.322 1.00 52.22 N ATOM 584 CA VAL A 383 -2.651 9.700 8.207 1.00 61.53 C ATOM 585 C VAL A 383 -4.087 9.223 8.433 1.00 52.34 C ATOM 586 O VAL A 383 -4.970 10.024 8.738 1.00 24.15 O ATOM 587 CB VAL A 383 -1.651 9.063 9.174 1.00 1.02 C ATOM 588 CG1 VAL A 383 -2.305 8.772 10.526 1.00 13.43 C ATOM 589 CG2 VAL A 383 -1.041 7.794 8.576 1.00 71.22 C ATOM 0 H VAL A 383 -3.330 11.553 8.908 1.00 52.22 H new ATOM 0 HA VAL A 383 -2.359 9.387 7.205 1.00 61.53 H new ATOM 0 HB VAL A 383 -0.844 9.777 9.339 1.00 1.02 H new ATOM 0 HG11 VAL A 383 -1.573 8.320 11.195 1.00 13.43 H new ATOM 0 HG12 VAL A 383 -2.668 9.702 10.962 1.00 13.43 H new ATOM 0 HG13 VAL A 383 -3.141 8.086 10.386 1.00 13.43 H new ATOM 0 HG21 VAL A 383 -0.334 7.362 9.284 1.00 71.22 H new ATOM 0 HG22 VAL A 383 -1.832 7.074 8.367 1.00 71.22 H new ATOM 0 HG23 VAL A 383 -0.522 8.041 7.650 1.00 71.22 H new ATOM 599 N LYS A 384 -4.277 7.922 8.273 1.00 32.10 N ATOM 600 CA LYS A 384 -5.591 7.329 8.456 1.00 54.53 C ATOM 601 C LYS A 384 -5.437 5.834 8.742 1.00 42.42 C ATOM 602 O LYS A 384 -4.506 5.198 8.251 1.00 62.10 O ATOM 603 CB LYS A 384 -6.489 7.636 7.255 1.00 0.32 C ATOM 604 CG LYS A 384 -7.735 6.749 7.261 1.00 33.34 C ATOM 605 CD LYS A 384 -8.788 7.274 6.283 1.00 45.31 C ATOM 606 CE LYS A 384 -9.902 8.017 7.023 1.00 44.32 C ATOM 607 NZ LYS A 384 -11.073 8.208 6.139 1.00 74.20 N ATOM 0 H LYS A 384 -3.543 7.261 8.019 1.00 32.10 H new ATOM 0 HA LYS A 384 -6.090 7.769 9.319 1.00 54.53 H new ATOM 0 HB2 LYS A 384 -6.785 8.685 7.276 1.00 0.32 H new ATOM 0 HB3 LYS A 384 -5.932 7.481 6.331 1.00 0.32 H new ATOM 0 HG2 LYS A 384 -7.461 5.729 6.992 1.00 33.34 H new ATOM 0 HG3 LYS A 384 -8.154 6.712 8.266 1.00 33.34 H new ATOM 0 HD2 LYS A 384 -8.318 7.942 5.561 1.00 45.31 H new ATOM 0 HD3 LYS A 384 -9.212 6.443 5.719 1.00 45.31 H new ATOM 0 HE2 LYS A 384 -10.196 7.455 7.909 1.00 44.32 H new ATOM 0 HE3 LYS A 384 -9.536 8.985 7.366 1.00 44.32 H new ATOM 0 HZ1 LYS A 384 -11.820 8.714 6.657 1.00 74.20 H new ATOM 0 HZ2 LYS A 384 -10.792 8.764 5.306 1.00 74.20 H new ATOM 0 HZ3 LYS A 384 -11.431 7.281 5.832 1.00 74.20 H new ATOM 620 N ILE A 385 -6.364 5.317 9.535 1.00 43.41 N ATOM 621 CA ILE A 385 -6.342 3.909 9.892 1.00 11.12 C ATOM 622 C ILE A 385 -7.539 3.206 9.249 1.00 31.11 C ATOM 623 O ILE A 385 -8.633 3.765 9.188 1.00 42.32 O ATOM 624 CB ILE A 385 -6.275 3.743 11.412 1.00 63.13 C ATOM 625 CG1 ILE A 385 -5.085 4.509 11.995 1.00 73.32 C ATOM 626 CG2 ILE A 385 -6.250 2.263 11.801 1.00 51.42 C ATOM 627 CD1 ILE A 385 -3.766 3.810 11.661 1.00 70.51 C ATOM 0 H ILE A 385 -7.135 5.848 9.940 1.00 43.41 H new ATOM 0 HA ILE A 385 -5.443 3.431 9.502 1.00 11.12 H new ATOM 0 HB ILE A 385 -7.178 4.174 11.843 1.00 63.13 H new ATOM 0 HG12 ILE A 385 -5.073 5.525 11.599 1.00 73.32 H new ATOM 0 HG13 ILE A 385 -5.194 4.589 13.077 1.00 73.32 H new ATOM 0 HG21 ILE A 385 -6.202 2.173 12.886 1.00 51.42 H new ATOM 0 HG22 ILE A 385 -7.154 1.775 11.436 1.00 51.42 H new ATOM 0 HG23 ILE A 385 -5.376 1.785 11.358 1.00 51.42 H new ATOM 0 HD11 ILE A 385 -2.937 4.375 12.087 1.00 70.51 H new ATOM 0 HD12 ILE A 385 -3.772 2.803 12.079 1.00 70.51 H new ATOM 0 HD13 ILE A 385 -3.648 3.753 10.579 1.00 70.51 H new ATOM 639 N GLU A 386 -7.291 1.990 8.786 1.00 73.50 N ATOM 640 CA GLU A 386 -8.335 1.204 8.150 1.00 71.02 C ATOM 641 C GLU A 386 -8.260 -0.252 8.612 1.00 21.55 C ATOM 642 O GLU A 386 -7.232 -0.692 9.126 1.00 73.23 O ATOM 643 CB GLU A 386 -8.242 1.300 6.626 1.00 51.53 C ATOM 644 CG GLU A 386 -9.230 2.334 6.080 1.00 30.34 C ATOM 645 CD GLU A 386 -9.649 1.990 4.650 1.00 42.05 C ATOM 646 OE1 GLU A 386 -9.506 0.835 4.222 1.00 23.22 O ATOM 647 OE2 GLU A 386 -10.140 2.973 3.974 1.00 44.30 O ATOM 0 H GLU A 386 -6.382 1.529 8.838 1.00 73.50 H new ATOM 0 HA GLU A 386 -9.301 1.610 8.449 1.00 71.02 H new ATOM 0 HB2 GLU A 386 -7.227 1.573 6.337 1.00 51.53 H new ATOM 0 HB3 GLU A 386 -8.448 0.326 6.183 1.00 51.53 H new ATOM 0 HG2 GLU A 386 -10.111 2.375 6.721 1.00 30.34 H new ATOM 0 HG3 GLU A 386 -8.774 3.324 6.101 1.00 30.34 H new ATOM 655 N PRO A 387 -9.391 -0.979 8.409 1.00 33.30 N ATOM 656 CA PRO A 387 -10.564 -0.382 7.795 1.00 54.34 C ATOM 657 C PRO A 387 -11.291 0.538 8.779 1.00 64.33 C ATOM 658 O PRO A 387 -12.204 1.282 8.425 1.00 52.41 O ATOM 659 CB PRO A 387 -11.414 -1.558 7.343 1.00 74.02 C ATOM 660 CG PRO A 387 -10.915 -2.759 8.129 1.00 31.31 C ATOM 661 CD PRO A 387 -9.583 -2.384 8.757 1.00 22.22 C ATOM 0 HA PRO A 387 -10.315 0.260 6.950 1.00 54.34 H new ATOM 0 HB2 PRO A 387 -12.470 -1.375 7.539 1.00 74.02 H new ATOM 0 HB3 PRO A 387 -11.313 -1.724 6.270 1.00 74.02 H new ATOM 0 HG2 PRO A 387 -11.635 -3.037 8.899 1.00 31.31 H new ATOM 0 HG3 PRO A 387 -10.799 -3.622 7.474 1.00 31.31 H new ATOM 0 HD2 PRO A 387 -9.601 -2.525 9.838 1.00 22.22 H new ATOM 0 HD3 PRO A 387 -8.774 -3.002 8.368 1.00 22.22 H new ATOM 669 N CYS A 388 -10.860 0.469 10.035 1.00 61.44 N ATOM 670 CA CYS A 388 -11.450 1.281 11.091 1.00 4.14 C ATOM 671 C CYS A 388 -11.827 2.664 10.569 1.00 42.31 C ATOM 672 O CYS A 388 -13.013 2.940 10.397 1.00 72.33 O ATOM 673 CB CYS A 388 -10.476 1.415 12.264 1.00 14.20 C ATOM 674 SG CYS A 388 -10.888 2.761 13.422 1.00 73.35 S ATOM 0 H CYS A 388 -10.104 -0.141 10.345 1.00 61.44 H new ATOM 0 HA CYS A 388 -12.357 0.782 11.434 1.00 4.14 H new ATOM 0 HB2 CYS A 388 -10.452 0.473 12.812 1.00 14.20 H new ATOM 0 HB3 CYS A 388 -9.473 1.581 11.872 1.00 14.20 H new ATOM 0 HG CYS A 388 -9.929 2.896 14.289 1.00 73.35 H new ATOM 679 N GLY A 389 -10.822 3.494 10.332 1.00 43.34 N ATOM 680 CA GLY A 389 -11.062 4.838 9.833 1.00 73.32 C ATOM 681 C GLY A 389 -10.603 5.889 10.845 1.00 34.03 C ATOM 682 O GLY A 389 -10.976 7.057 10.745 1.00 44.03 O ATOM 0 H GLY A 389 -9.839 3.262 10.476 1.00 43.34 H new ATOM 0 HA2 GLY A 389 -10.533 4.980 8.891 1.00 73.32 H new ATOM 0 HA3 GLY A 389 -12.124 4.968 9.625 1.00 73.32 H new ATOM 686 N HIS A 390 -9.802 5.436 11.798 1.00 45.30 N ATOM 687 CA HIS A 390 -9.288 6.323 12.828 1.00 41.30 C ATOM 688 C HIS A 390 -8.069 7.079 12.294 1.00 72.52 C ATOM 689 O HIS A 390 -7.202 6.489 11.651 1.00 4.23 O ATOM 690 CB HIS A 390 -8.989 5.548 14.113 1.00 41.13 C ATOM 691 CG HIS A 390 -10.193 5.344 15.001 1.00 2.22 C ATOM 692 ND1 HIS A 390 -10.326 4.256 15.845 1.00 23.44 N ATOM 693 CD2 HIS A 390 -11.315 6.101 15.169 1.00 73.34 C ATOM 694 CE1 HIS A 390 -11.480 4.362 16.486 1.00 33.13 C ATOM 695 NE2 HIS A 390 -12.092 5.506 16.065 1.00 35.31 N ATOM 0 H HIS A 390 -9.496 4.466 11.879 1.00 45.30 H new ATOM 0 HA HIS A 390 -10.046 7.063 13.087 1.00 41.30 H new ATOM 0 HB2 HIS A 390 -8.575 4.575 13.850 1.00 41.13 H new ATOM 0 HB3 HIS A 390 -8.221 6.079 14.675 1.00 41.13 H new ATOM 0 HD2 HIS A 390 -11.534 7.028 14.659 1.00 73.34 H new ATOM 0 HE1 HIS A 390 -11.868 3.665 17.214 1.00 33.13 H new ATOM 0 HE2 HIS A 390 -12.998 5.848 16.386 1.00 35.31 H new ATOM 703 N LEU A 391 -8.043 8.372 12.579 1.00 1.05 N ATOM 704 CA LEU A 391 -6.945 9.214 12.136 1.00 50.21 C ATOM 705 C LEU A 391 -6.004 9.480 13.313 1.00 70.32 C ATOM 706 O LEU A 391 -6.394 9.330 14.470 1.00 42.52 O ATOM 707 CB LEU A 391 -7.479 10.487 11.476 1.00 10.21 C ATOM 708 CG LEU A 391 -8.760 10.330 10.655 1.00 53.13 C ATOM 709 CD1 LEU A 391 -8.631 9.182 9.652 1.00 73.11 C ATOM 710 CD2 LEU A 391 -9.978 10.162 11.565 1.00 32.34 C ATOM 0 H LEU A 391 -8.765 8.858 13.111 1.00 1.05 H new ATOM 0 HA LEU A 391 -6.361 8.705 11.369 1.00 50.21 H new ATOM 0 HB2 LEU A 391 -7.659 11.228 12.255 1.00 10.21 H new ATOM 0 HB3 LEU A 391 -6.702 10.889 10.826 1.00 10.21 H new ATOM 0 HG LEU A 391 -8.911 11.244 10.081 1.00 53.13 H new ATOM 0 HD11 LEU A 391 -9.555 9.092 9.081 1.00 73.11 H new ATOM 0 HD12 LEU A 391 -7.803 9.384 8.972 1.00 73.11 H new ATOM 0 HD13 LEU A 391 -8.443 8.251 10.187 1.00 73.11 H new ATOM 0 HD21 LEU A 391 -10.875 10.052 10.956 1.00 32.34 H new ATOM 0 HD22 LEU A 391 -9.850 9.274 12.185 1.00 32.34 H new ATOM 0 HD23 LEU A 391 -10.078 11.039 12.204 1.00 32.34 H new ATOM 722 N MET A 392 -4.783 9.869 12.977 1.00 60.25 N ATOM 723 CA MET A 392 -3.783 10.157 13.991 1.00 33.40 C ATOM 724 C MET A 392 -2.519 10.747 13.363 1.00 20.31 C ATOM 725 O MET A 392 -2.414 10.839 12.141 1.00 4.51 O ATOM 726 CB MET A 392 -3.429 8.869 14.739 1.00 52.54 C ATOM 727 CG MET A 392 -2.840 7.827 13.786 1.00 33.32 C ATOM 728 SD MET A 392 -2.847 6.219 14.562 1.00 74.14 S ATOM 729 CE MET A 392 -4.592 6.045 14.899 1.00 4.22 C ATOM 0 H MET A 392 -4.463 9.992 12.016 1.00 60.25 H new ATOM 0 HA MET A 392 -4.196 10.889 14.685 1.00 33.40 H new ATOM 0 HB2 MET A 392 -2.713 9.089 15.531 1.00 52.54 H new ATOM 0 HB3 MET A 392 -4.321 8.466 15.219 1.00 52.54 H new ATOM 0 HG2 MET A 392 -3.419 7.797 12.863 1.00 33.32 H new ATOM 0 HG3 MET A 392 -1.822 8.105 13.514 1.00 33.32 H new ATOM 0 HE1 MET A 392 -4.861 4.989 14.889 1.00 4.22 H new ATOM 0 HE2 MET A 392 -4.817 6.468 15.878 1.00 4.22 H new ATOM 0 HE3 MET A 392 -5.164 6.572 14.136 1.00 4.22 H new ATOM 739 N CYS A 393 -1.591 11.130 14.228 1.00 52.54 N ATOM 740 CA CYS A 393 -0.338 11.709 13.773 1.00 52.10 C ATOM 741 C CYS A 393 0.718 10.603 13.739 1.00 33.54 C ATOM 742 O CYS A 393 1.082 10.056 14.779 1.00 22.32 O ATOM 743 CB CYS A 393 0.094 12.884 14.652 1.00 1.24 C ATOM 744 SG CYS A 393 0.217 12.502 16.438 1.00 62.13 S ATOM 0 H CYS A 393 -1.682 11.051 15.241 1.00 52.54 H new ATOM 0 HA CYS A 393 -0.466 12.118 12.771 1.00 52.10 H new ATOM 0 HB2 CYS A 393 1.063 13.243 14.304 1.00 1.24 H new ATOM 0 HB3 CYS A 393 -0.616 13.700 14.517 1.00 1.24 H new ATOM 0 HG CYS A 393 1.457 12.263 16.746 1.00 62.13 H new ATOM 749 N THR A 394 1.179 10.305 12.534 1.00 44.54 N ATOM 750 CA THR A 394 2.186 9.274 12.351 1.00 64.10 C ATOM 751 C THR A 394 3.216 9.328 13.481 1.00 30.33 C ATOM 752 O THR A 394 3.388 8.356 14.215 1.00 25.05 O ATOM 753 CB THR A 394 2.800 9.453 10.961 1.00 40.10 C ATOM 754 OG1 THR A 394 1.675 9.488 10.087 1.00 63.12 O ATOM 755 CG2 THR A 394 3.588 8.223 10.506 1.00 51.03 C ATOM 0 H THR A 394 0.874 10.760 11.674 1.00 44.54 H new ATOM 0 HA THR A 394 1.745 8.278 12.402 1.00 64.10 H new ATOM 0 HB THR A 394 3.456 10.323 10.963 1.00 40.10 H new ATOM 0 HG1 THR A 394 1.691 10.318 9.566 1.00 63.12 H new ATOM 0 HG21 THR A 394 4.002 8.403 9.514 1.00 51.03 H new ATOM 0 HG22 THR A 394 4.399 8.030 11.208 1.00 51.03 H new ATOM 0 HG23 THR A 394 2.925 7.359 10.471 1.00 51.03 H new ATOM 763 N SER A 395 3.873 10.473 13.586 1.00 44.23 N ATOM 764 CA SER A 395 4.881 10.667 14.614 1.00 25.52 C ATOM 765 C SER A 395 4.383 10.105 15.947 1.00 22.24 C ATOM 766 O SER A 395 5.136 9.456 16.672 1.00 61.32 O ATOM 767 CB SER A 395 5.240 12.146 14.763 1.00 41.43 C ATOM 768 OG SER A 395 4.085 12.980 14.742 1.00 52.44 O ATOM 0 H SER A 395 3.727 11.277 12.975 1.00 44.23 H new ATOM 0 HA SER A 395 5.782 10.132 14.314 1.00 25.52 H new ATOM 0 HB2 SER A 395 5.779 12.296 15.699 1.00 41.43 H new ATOM 0 HB3 SER A 395 5.913 12.439 13.957 1.00 41.43 H new ATOM 0 HG SER A 395 4.184 13.693 15.407 1.00 52.44 H new ATOM 774 N CYS A 396 3.118 10.375 16.231 1.00 55.03 N ATOM 775 CA CYS A 396 2.510 9.905 17.464 1.00 72.30 C ATOM 776 C CYS A 396 2.402 8.380 17.396 1.00 41.15 C ATOM 777 O CYS A 396 2.833 7.682 18.312 1.00 14.13 O ATOM 778 CB CYS A 396 1.151 10.562 17.711 1.00 13.45 C ATOM 779 SG CYS A 396 1.032 12.306 17.170 1.00 1.41 S ATOM 0 H CYS A 396 2.497 10.914 15.628 1.00 55.03 H new ATOM 0 HA CYS A 396 3.136 10.187 18.311 1.00 72.30 H new ATOM 0 HB2 CYS A 396 0.384 9.983 17.196 1.00 13.45 H new ATOM 0 HB3 CYS A 396 0.927 10.511 18.776 1.00 13.45 H new ATOM 0 HG CYS A 396 -0.093 12.491 16.546 1.00 1.41 H new ATOM 784 N LEU A 397 1.825 7.908 16.300 1.00 3.11 N ATOM 785 CA LEU A 397 1.656 6.479 16.100 1.00 33.01 C ATOM 786 C LEU A 397 2.959 5.761 16.454 1.00 63.51 C ATOM 787 O LEU A 397 2.945 4.753 17.160 1.00 4.50 O ATOM 788 CB LEU A 397 1.161 6.192 14.681 1.00 33.42 C ATOM 789 CG LEU A 397 1.350 4.758 14.182 1.00 23.32 C ATOM 790 CD1 LEU A 397 2.824 4.470 13.889 1.00 71.24 C ATOM 791 CD2 LEU A 397 0.755 3.751 15.168 1.00 31.33 C ATOM 0 H LEU A 397 1.469 8.490 15.542 1.00 3.11 H new ATOM 0 HA LEU A 397 0.886 6.089 16.766 1.00 33.01 H new ATOM 0 HB2 LEU A 397 0.100 6.436 14.631 1.00 33.42 H new ATOM 0 HB3 LEU A 397 1.675 6.865 13.995 1.00 33.42 H new ATOM 0 HG LEU A 397 0.807 4.649 13.243 1.00 23.32 H new ATOM 0 HD11 LEU A 397 2.931 3.444 13.536 1.00 71.24 H new ATOM 0 HD12 LEU A 397 3.184 5.157 13.123 1.00 71.24 H new ATOM 0 HD13 LEU A 397 3.409 4.603 14.799 1.00 71.24 H new ATOM 0 HD21 LEU A 397 0.903 2.740 14.789 1.00 31.33 H new ATOM 0 HD22 LEU A 397 1.249 3.852 16.134 1.00 31.33 H new ATOM 0 HD23 LEU A 397 -0.312 3.942 15.284 1.00 31.33 H new ATOM 803 N THR A 398 4.055 6.307 15.947 1.00 71.50 N ATOM 804 CA THR A 398 5.364 5.730 16.201 1.00 45.33 C ATOM 805 C THR A 398 5.623 5.635 17.706 1.00 74.14 C ATOM 806 O THR A 398 6.252 4.687 18.172 1.00 22.32 O ATOM 807 CB THR A 398 6.404 6.573 15.458 1.00 34.21 C ATOM 808 OG1 THR A 398 6.472 5.979 14.165 1.00 72.04 O ATOM 809 CG2 THR A 398 7.814 6.396 16.024 1.00 30.32 C ATOM 0 H THR A 398 4.063 7.142 15.362 1.00 71.50 H new ATOM 0 HA THR A 398 5.425 4.708 15.828 1.00 45.33 H new ATOM 0 HB THR A 398 6.122 7.625 15.509 1.00 34.21 H new ATOM 0 HG1 THR A 398 7.122 6.465 13.616 1.00 72.04 H new ATOM 0 HG21 THR A 398 8.512 7.016 15.461 1.00 30.32 H new ATOM 0 HG22 THR A 398 7.826 6.696 17.072 1.00 30.32 H new ATOM 0 HG23 THR A 398 8.110 5.350 15.943 1.00 30.32 H new ATOM 817 N ALA A 399 5.123 6.630 18.424 1.00 42.25 N ATOM 818 CA ALA A 399 5.292 6.670 19.866 1.00 11.42 C ATOM 819 C ALA A 399 4.464 5.552 20.503 1.00 3.55 C ATOM 820 O ALA A 399 4.734 5.141 21.631 1.00 51.21 O ATOM 821 CB ALA A 399 4.901 8.055 20.388 1.00 62.25 C ATOM 0 H ALA A 399 4.601 7.414 18.034 1.00 42.25 H new ATOM 0 HA ALA A 399 6.335 6.503 20.135 1.00 11.42 H new ATOM 0 HB1 ALA A 399 5.028 8.085 21.470 1.00 62.25 H new ATOM 0 HB2 ALA A 399 5.537 8.811 19.927 1.00 62.25 H new ATOM 0 HB3 ALA A 399 3.859 8.257 20.139 1.00 62.25 H new ATOM 827 N TRP A 400 3.473 5.092 19.754 1.00 44.51 N ATOM 828 CA TRP A 400 2.605 4.030 20.231 1.00 13.15 C ATOM 829 C TRP A 400 3.271 2.692 19.905 1.00 31.12 C ATOM 830 O TRP A 400 3.584 1.914 20.805 1.00 13.34 O ATOM 831 CB TRP A 400 1.201 4.160 19.636 1.00 4.11 C ATOM 832 CG TRP A 400 0.446 2.834 19.527 1.00 63.12 C ATOM 833 CD1 TRP A 400 0.139 2.149 18.417 1.00 34.41 C ATOM 834 CD2 TRP A 400 -0.087 2.056 20.619 1.00 60.40 C ATOM 835 NE1 TRP A 400 -0.551 0.990 18.713 1.00 53.52 N ATOM 836 CE2 TRP A 400 -0.693 0.932 20.094 1.00 4.24 C ATOM 837 CE3 TRP A 400 -0.058 2.293 22.004 1.00 14.15 C ATOM 838 CZ2 TRP A 400 -1.315 -0.042 20.883 1.00 33.35 C ATOM 839 CZ3 TRP A 400 -0.685 1.310 22.779 1.00 31.25 C ATOM 840 CH2 TRP A 400 -1.299 0.173 22.267 1.00 53.34 C ATOM 0 H TRP A 400 3.252 5.436 18.819 1.00 44.51 H new ATOM 0 HA TRP A 400 2.471 4.098 21.311 1.00 13.15 H new ATOM 0 HB2 TRP A 400 0.620 4.848 20.250 1.00 4.11 H new ATOM 0 HB3 TRP A 400 1.278 4.605 18.644 1.00 4.11 H new ATOM 0 HD1 TRP A 400 0.398 2.464 17.417 1.00 34.41 H new ATOM 0 HE1 TRP A 400 -0.893 0.303 18.041 1.00 53.52 H new ATOM 0 HE3 TRP A 400 0.411 3.165 22.436 1.00 14.15 H new ATOM 0 HZ2 TRP A 400 -1.782 -0.913 20.448 1.00 33.35 H new ATOM 0 HZ3 TRP A 400 -0.692 1.445 23.851 1.00 31.25 H new ATOM 0 HH2 TRP A 400 -1.761 -0.541 22.933 1.00 53.34 H new ATOM 851 N GLN A 401 3.468 2.465 18.615 1.00 63.31 N ATOM 852 CA GLN A 401 4.092 1.234 18.159 1.00 53.04 C ATOM 853 C GLN A 401 5.459 1.054 18.821 1.00 42.42 C ATOM 854 O GLN A 401 6.035 -0.032 18.779 1.00 43.52 O ATOM 855 CB GLN A 401 4.214 1.214 16.634 1.00 41.13 C ATOM 856 CG GLN A 401 2.846 1.386 15.971 1.00 35.44 C ATOM 857 CD GLN A 401 2.331 0.053 15.424 1.00 53.04 C ATOM 858 OE1 GLN A 401 3.084 -0.863 15.137 1.00 3.24 O ATOM 859 NE2 GLN A 401 1.008 -0.004 15.294 1.00 22.13 N ATOM 0 H GLN A 401 3.207 3.112 17.871 1.00 63.31 H new ATOM 0 HA GLN A 401 3.457 0.398 18.451 1.00 53.04 H new ATOM 0 HB2 GLN A 401 4.882 2.011 16.309 1.00 41.13 H new ATOM 0 HB3 GLN A 401 4.661 0.273 16.314 1.00 41.13 H new ATOM 0 HG2 GLN A 401 2.135 1.786 16.694 1.00 35.44 H new ATOM 0 HG3 GLN A 401 2.919 2.112 15.161 1.00 35.44 H new ATOM 0 HE21 GLN A 401 0.435 0.799 15.553 1.00 22.13 H new ATOM 0 HE22 GLN A 401 0.567 -0.851 14.936 1.00 22.13 H new ATOM 868 N GLU A 402 5.939 2.136 19.417 1.00 42.03 N ATOM 869 CA GLU A 402 7.228 2.112 20.087 1.00 62.51 C ATOM 870 C GLU A 402 7.437 0.767 20.787 1.00 11.32 C ATOM 871 O GLU A 402 8.349 0.018 20.442 1.00 44.44 O ATOM 872 CB GLU A 402 7.353 3.271 21.077 1.00 24.12 C ATOM 873 CG GLU A 402 8.241 4.382 20.512 1.00 74.23 C ATOM 874 CD GLU A 402 9.717 4.108 20.806 1.00 31.21 C ATOM 875 OE1 GLU A 402 10.251 4.604 21.809 1.00 45.01 O ATOM 876 OE2 GLU A 402 10.312 3.348 19.950 1.00 52.22 O ATOM 0 H GLU A 402 5.458 3.035 19.450 1.00 42.03 H new ATOM 0 HA GLU A 402 8.009 2.234 19.336 1.00 62.51 H new ATOM 0 HB2 GLU A 402 6.364 3.670 21.302 1.00 24.12 H new ATOM 0 HB3 GLU A 402 7.771 2.908 22.016 1.00 24.12 H new ATOM 0 HG2 GLU A 402 8.090 4.461 19.435 1.00 74.23 H new ATOM 0 HG3 GLU A 402 7.952 5.339 20.946 1.00 74.23 H new ATOM 884 N SER A 403 6.576 0.502 21.759 1.00 50.52 N ATOM 885 CA SER A 403 6.655 -0.738 22.511 1.00 75.43 C ATOM 886 C SER A 403 5.345 -1.517 22.373 1.00 32.34 C ATOM 887 O SER A 403 5.325 -2.738 22.525 1.00 3.21 O ATOM 888 CB SER A 403 6.961 -0.470 23.986 1.00 75.34 C ATOM 889 OG SER A 403 8.361 -0.473 24.249 1.00 10.42 O ATOM 0 H SER A 403 5.820 1.125 22.043 1.00 50.52 H new ATOM 0 HA SER A 403 7.470 -1.335 22.102 1.00 75.43 H new ATOM 0 HB2 SER A 403 6.540 0.493 24.275 1.00 75.34 H new ATOM 0 HB3 SER A 403 6.475 -1.228 24.601 1.00 75.34 H new ATOM 0 HG SER A 403 8.515 -0.297 25.201 1.00 10.42 H new ATOM 895 N ASP A 404 4.282 -0.779 22.088 1.00 70.51 N ATOM 896 CA ASP A 404 2.971 -1.386 21.928 1.00 0.45 C ATOM 897 C ASP A 404 2.834 -1.928 20.504 1.00 4.42 C ATOM 898 O ASP A 404 3.257 -3.047 20.219 1.00 42.11 O ATOM 899 CB ASP A 404 1.859 -0.359 22.152 1.00 32.35 C ATOM 900 CG ASP A 404 1.548 -0.052 23.619 1.00 44.22 C ATOM 901 OD1 ASP A 404 0.660 -0.668 24.226 1.00 1.23 O ATOM 902 OD2 ASP A 404 2.272 0.877 24.146 1.00 23.42 O ATOM 0 H ASP A 404 4.302 0.233 21.964 1.00 70.51 H new ATOM 0 HA ASP A 404 2.878 -2.186 22.662 1.00 0.45 H new ATOM 0 HB2 ASP A 404 2.137 0.569 21.653 1.00 32.35 H new ATOM 0 HB3 ASP A 404 0.950 -0.720 21.671 1.00 32.35 H new ATOM 908 N GLY A 405 2.242 -1.108 19.648 1.00 61.32 N ATOM 909 CA GLY A 405 2.044 -1.491 18.260 1.00 24.52 C ATOM 910 C GLY A 405 0.924 -2.525 18.131 1.00 33.11 C ATOM 911 O GLY A 405 0.921 -3.330 17.201 1.00 51.01 O ATOM 0 H GLY A 405 1.893 -0.180 19.889 1.00 61.32 H new ATOM 0 HA2 GLY A 405 1.800 -0.610 17.667 1.00 24.52 H new ATOM 0 HA3 GLY A 405 2.970 -1.900 17.856 1.00 24.52 H new ATOM 915 N GLN A 406 -0.001 -2.469 19.078 1.00 73.20 N ATOM 916 CA GLN A 406 -1.125 -3.391 19.082 1.00 40.52 C ATOM 917 C GLN A 406 -2.289 -2.812 18.274 1.00 4.23 C ATOM 918 O GLN A 406 -3.329 -2.472 18.835 1.00 75.31 O ATOM 919 CB GLN A 406 -1.560 -3.719 20.511 1.00 24.34 C ATOM 920 CG GLN A 406 -2.208 -5.103 20.583 1.00 63.41 C ATOM 921 CD GLN A 406 -2.796 -5.362 21.972 1.00 63.45 C ATOM 922 OE1 GLN A 406 -2.095 -5.431 22.968 1.00 62.02 O ATOM 923 NE2 GLN A 406 -4.118 -5.502 21.982 1.00 53.34 N ATOM 0 H GLN A 406 0.005 -1.800 19.848 1.00 73.20 H new ATOM 0 HA GLN A 406 -0.808 -4.322 18.611 1.00 40.52 H new ATOM 0 HB2 GLN A 406 -0.696 -3.683 21.175 1.00 24.34 H new ATOM 0 HB3 GLN A 406 -2.264 -2.965 20.863 1.00 24.34 H new ATOM 0 HG2 GLN A 406 -2.994 -5.180 19.831 1.00 63.41 H new ATOM 0 HG3 GLN A 406 -1.467 -5.868 20.349 1.00 63.41 H new ATOM 0 HE21 GLN A 406 -4.645 -5.433 21.111 1.00 53.34 H new ATOM 0 HE22 GLN A 406 -4.605 -5.679 22.860 1.00 53.34 H new ATOM 932 N GLY A 407 -2.073 -2.717 16.971 1.00 71.25 N ATOM 933 CA GLY A 407 -3.091 -2.185 16.080 1.00 30.54 C ATOM 934 C GLY A 407 -3.422 -0.733 16.431 1.00 21.41 C ATOM 935 O GLY A 407 -2.662 -0.073 17.138 1.00 32.33 O ATOM 0 H GLY A 407 -1.208 -2.999 16.510 1.00 71.25 H new ATOM 0 HA2 GLY A 407 -2.743 -2.243 15.049 1.00 30.54 H new ATOM 0 HA3 GLY A 407 -3.993 -2.794 16.147 1.00 30.54 H new ATOM 939 N CYS A 408 -4.557 -0.279 15.920 1.00 3.43 N ATOM 940 CA CYS A 408 -4.997 1.083 16.171 1.00 54.23 C ATOM 941 C CYS A 408 -5.075 1.292 17.684 1.00 11.33 C ATOM 942 O CYS A 408 -5.711 0.511 18.391 1.00 50.45 O ATOM 943 CB CYS A 408 -6.332 1.381 15.484 1.00 2.11 C ATOM 944 SG CYS A 408 -6.661 3.156 15.183 1.00 23.13 S ATOM 0 H CYS A 408 -5.185 -0.829 15.334 1.00 3.43 H new ATOM 0 HA CYS A 408 -4.279 1.784 15.745 1.00 54.23 H new ATOM 0 HB2 CYS A 408 -6.359 0.854 14.530 1.00 2.11 H new ATOM 0 HB3 CYS A 408 -7.138 0.975 16.096 1.00 2.11 H new ATOM 0 HG CYS A 408 -6.286 3.848 16.218 1.00 23.13 H new ATOM 949 N PRO A 409 -4.402 2.378 18.150 1.00 43.22 N ATOM 950 CA PRO A 409 -4.389 2.700 19.567 1.00 65.13 C ATOM 951 C PRO A 409 -5.727 3.298 20.006 1.00 45.34 C ATOM 952 O PRO A 409 -5.904 3.640 21.174 1.00 53.43 O ATOM 953 CB PRO A 409 -3.223 3.659 19.741 1.00 2.45 C ATOM 954 CG PRO A 409 -2.917 4.201 18.355 1.00 54.35 C ATOM 955 CD PRO A 409 -3.638 3.325 17.343 1.00 43.12 C ATOM 0 HA PRO A 409 -4.261 1.820 20.198 1.00 65.13 H new ATOM 0 HB2 PRO A 409 -3.480 4.466 20.427 1.00 2.45 H new ATOM 0 HB3 PRO A 409 -2.356 3.148 20.160 1.00 2.45 H new ATOM 0 HG2 PRO A 409 -3.248 5.236 18.268 1.00 54.35 H new ATOM 0 HG3 PRO A 409 -1.843 4.193 18.170 1.00 54.35 H new ATOM 0 HD2 PRO A 409 -4.292 3.916 16.702 1.00 43.12 H new ATOM 0 HD3 PRO A 409 -2.932 2.810 16.691 1.00 43.12 H new ATOM 963 N PHE A 410 -6.633 3.406 19.046 1.00 54.22 N ATOM 964 CA PHE A 410 -7.950 3.957 19.319 1.00 40.14 C ATOM 965 C PHE A 410 -8.951 2.848 19.650 1.00 5.13 C ATOM 966 O PHE A 410 -9.683 2.942 20.634 1.00 22.32 O ATOM 967 CB PHE A 410 -8.406 4.676 18.047 1.00 32.24 C ATOM 968 CG PHE A 410 -8.018 6.155 17.995 1.00 21.13 C ATOM 969 CD1 PHE A 410 -8.620 7.046 18.828 1.00 23.44 C ATOM 970 CD2 PHE A 410 -7.071 6.579 17.116 1.00 71.21 C ATOM 971 CE1 PHE A 410 -8.259 8.418 18.780 1.00 14.20 C ATOM 972 CE2 PHE A 410 -6.711 7.951 17.068 1.00 42.55 C ATOM 973 CZ PHE A 410 -7.313 8.842 17.901 1.00 44.23 C ATOM 0 H PHE A 410 -6.482 3.122 18.078 1.00 54.22 H new ATOM 0 HA PHE A 410 -7.901 4.632 20.173 1.00 40.14 H new ATOM 0 HB2 PHE A 410 -7.979 4.168 17.182 1.00 32.24 H new ATOM 0 HB3 PHE A 410 -9.490 4.592 17.963 1.00 32.24 H new ATOM 0 HD1 PHE A 410 -9.373 6.710 19.526 1.00 23.44 H new ATOM 0 HD2 PHE A 410 -6.593 5.872 16.454 1.00 71.21 H new ATOM 0 HE1 PHE A 410 -8.736 9.125 19.442 1.00 14.20 H new ATOM 0 HE2 PHE A 410 -5.959 8.288 16.370 1.00 42.55 H new ATOM 0 HZ PHE A 410 -7.039 9.886 17.864 1.00 44.23 H new ATOM 983 N CYS A 411 -8.950 1.824 18.810 1.00 24.53 N ATOM 984 CA CYS A 411 -9.848 0.698 19.002 1.00 71.20 C ATOM 985 C CYS A 411 -9.017 -0.511 19.436 1.00 74.51 C ATOM 986 O CYS A 411 -9.507 -1.640 19.430 1.00 12.23 O ATOM 987 CB CYS A 411 -10.666 0.406 17.742 1.00 0.02 C ATOM 988 SG CYS A 411 -9.778 0.690 16.168 1.00 64.13 S ATOM 0 H CYS A 411 -8.342 1.750 17.995 1.00 24.53 H new ATOM 0 HA CYS A 411 -10.573 0.937 19.780 1.00 71.20 H new ATOM 0 HB2 CYS A 411 -10.998 -0.632 17.774 1.00 0.02 H new ATOM 0 HB3 CYS A 411 -11.561 1.027 17.755 1.00 0.02 H new ATOM 0 HG CYS A 411 -10.465 1.505 15.423 1.00 64.13 H new ATOM 993 N ARG A 412 -7.774 -0.235 19.802 1.00 53.24 N ATOM 994 CA ARG A 412 -6.871 -1.286 20.238 1.00 61.04 C ATOM 995 C ARG A 412 -7.078 -2.547 19.395 1.00 4.45 C ATOM 996 O ARG A 412 -6.880 -3.660 19.880 1.00 74.03 O ATOM 997 CB ARG A 412 -7.092 -1.625 21.713 1.00 5.21 C ATOM 998 CG ARG A 412 -5.839 -2.256 22.324 1.00 62.20 C ATOM 999 CD ARG A 412 -4.753 -1.204 22.559 1.00 52.23 C ATOM 1000 NE ARG A 412 -5.059 -0.425 23.780 1.00 63.33 N ATOM 1001 CZ ARG A 412 -4.628 0.835 24.001 1.00 33.13 C ATOM 1002 NH1 ARG A 412 -3.869 1.471 23.084 1.00 24.31 N ATOM 1003 NH2 ARG A 412 -4.961 1.436 25.128 1.00 11.14 N ATOM 0 H ARG A 412 -7.371 0.702 19.805 1.00 53.24 H new ATOM 0 HA ARG A 412 -5.852 -0.922 20.110 1.00 61.04 H new ATOM 0 HB2 ARG A 412 -7.353 -0.721 22.263 1.00 5.21 H new ATOM 0 HB3 ARG A 412 -7.933 -2.311 21.810 1.00 5.21 H new ATOM 0 HG2 ARG A 412 -6.094 -2.738 23.268 1.00 62.20 H new ATOM 0 HG3 ARG A 412 -5.459 -3.034 21.661 1.00 62.20 H new ATOM 0 HD2 ARG A 412 -3.782 -1.688 22.660 1.00 52.23 H new ATOM 0 HD3 ARG A 412 -4.689 -0.537 21.699 1.00 52.23 H new ATOM 0 HE ARG A 412 -5.631 -0.868 24.499 1.00 63.33 H new ATOM 0 HH11 ARG A 412 -3.617 1.000 22.215 1.00 24.31 H new ATOM 0 HH12 ARG A 412 -3.548 2.423 23.260 1.00 24.31 H new ATOM 0 HH21 ARG A 412 -5.535 0.948 25.816 1.00 11.14 H new ATOM 0 HH22 ARG A 412 -4.644 2.388 25.311 1.00 11.14 H new ATOM 1016 N CYS A 413 -7.472 -2.329 18.150 1.00 72.35 N ATOM 1017 CA CYS A 413 -7.708 -3.434 17.236 1.00 62.14 C ATOM 1018 C CYS A 413 -6.656 -3.373 16.127 1.00 45.24 C ATOM 1019 O CYS A 413 -6.115 -2.307 15.837 1.00 3.44 O ATOM 1020 CB CYS A 413 -9.131 -3.410 16.674 1.00 22.11 C ATOM 1021 SG CYS A 413 -10.241 -4.400 17.740 1.00 11.45 S ATOM 0 H CYS A 413 -7.634 -1.404 17.752 1.00 72.35 H new ATOM 0 HA CYS A 413 -7.615 -4.378 17.772 1.00 62.14 H new ATOM 0 HB2 CYS A 413 -9.490 -2.383 16.615 1.00 22.11 H new ATOM 0 HB3 CYS A 413 -9.137 -3.808 15.659 1.00 22.11 H new ATOM 0 HG CYS A 413 -11.447 -4.371 17.256 1.00 11.45 H new ATOM 1027 N GLU A 414 -6.397 -4.530 15.536 1.00 63.12 N ATOM 1028 CA GLU A 414 -5.419 -4.621 14.465 1.00 62.50 C ATOM 1029 C GLU A 414 -5.818 -3.710 13.303 1.00 45.22 C ATOM 1030 O GLU A 414 -6.983 -3.339 13.172 1.00 40.12 O ATOM 1031 CB GLU A 414 -5.254 -6.068 13.995 1.00 24.12 C ATOM 1032 CG GLU A 414 -3.887 -6.280 13.341 1.00 41.52 C ATOM 1033 CD GLU A 414 -3.663 -7.755 13.003 1.00 10.11 C ATOM 1034 OE1 GLU A 414 -3.932 -8.179 11.869 1.00 21.13 O ATOM 1035 OE2 GLU A 414 -3.191 -8.470 13.968 1.00 42.53 O ATOM 0 H GLU A 414 -6.847 -5.412 15.778 1.00 63.12 H new ATOM 0 HA GLU A 414 -4.456 -4.286 14.850 1.00 62.50 H new ATOM 0 HB2 GLU A 414 -5.364 -6.744 14.843 1.00 24.12 H new ATOM 0 HB3 GLU A 414 -6.043 -6.316 13.285 1.00 24.12 H new ATOM 0 HG2 GLU A 414 -3.818 -5.681 12.433 1.00 41.52 H new ATOM 0 HG3 GLU A 414 -3.101 -5.934 14.012 1.00 41.52 H new ATOM 1043 N ILE A 415 -4.827 -3.375 12.489 1.00 54.14 N ATOM 1044 CA ILE A 415 -5.060 -2.514 11.342 1.00 54.43 C ATOM 1045 C ILE A 415 -4.818 -3.307 10.056 1.00 2.21 C ATOM 1046 O ILE A 415 -4.098 -4.304 10.064 1.00 34.54 O ATOM 1047 CB ILE A 415 -4.218 -1.241 11.447 1.00 3.04 C ATOM 1048 CG1 ILE A 415 -4.175 -0.730 12.889 1.00 53.41 C ATOM 1049 CG2 ILE A 415 -4.716 -0.171 10.474 1.00 11.10 C ATOM 1050 CD1 ILE A 415 -3.203 0.444 13.026 1.00 53.11 C ATOM 0 H ILE A 415 -3.862 -3.684 12.601 1.00 54.14 H new ATOM 0 HA ILE A 415 -6.098 -2.181 11.321 1.00 54.43 H new ATOM 0 HB ILE A 415 -3.195 -1.484 11.160 1.00 3.04 H new ATOM 0 HG12 ILE A 415 -5.173 -0.419 13.198 1.00 53.41 H new ATOM 0 HG13 ILE A 415 -3.872 -1.537 13.556 1.00 53.41 H new ATOM 0 HG21 ILE A 415 -4.100 0.723 10.570 1.00 11.10 H new ATOM 0 HG22 ILE A 415 -4.651 -0.549 9.454 1.00 11.10 H new ATOM 0 HG23 ILE A 415 -5.752 0.076 10.704 1.00 11.10 H new ATOM 0 HD11 ILE A 415 -3.191 0.788 14.060 1.00 53.11 H new ATOM 0 HD12 ILE A 415 -2.202 0.123 12.739 1.00 53.11 H new ATOM 0 HD13 ILE A 415 -3.523 1.259 12.376 1.00 53.11 H new ATOM 1062 N LYS A 416 -5.432 -2.833 8.982 1.00 61.42 N ATOM 1063 CA LYS A 416 -5.292 -3.486 7.691 1.00 22.01 C ATOM 1064 C LYS A 416 -4.813 -2.465 6.657 1.00 2.35 C ATOM 1065 O LYS A 416 -3.890 -2.737 5.892 1.00 65.32 O ATOM 1066 CB LYS A 416 -6.593 -4.190 7.303 1.00 73.24 C ATOM 1067 CG LYS A 416 -7.226 -4.879 8.513 1.00 35.12 C ATOM 1068 CD LYS A 416 -6.446 -6.138 8.898 1.00 53.21 C ATOM 1069 CE LYS A 416 -7.314 -7.090 9.724 1.00 40.43 C ATOM 1070 NZ LYS A 416 -6.912 -8.494 9.488 1.00 64.23 N ATOM 0 H LYS A 416 -6.027 -2.005 8.979 1.00 61.42 H new ATOM 0 HA LYS A 416 -4.535 -4.269 7.740 1.00 22.01 H new ATOM 0 HB2 LYS A 416 -7.292 -3.465 6.886 1.00 73.24 H new ATOM 0 HB3 LYS A 416 -6.394 -4.926 6.524 1.00 73.24 H new ATOM 0 HG2 LYS A 416 -7.250 -4.190 9.357 1.00 35.12 H new ATOM 0 HG3 LYS A 416 -8.259 -5.142 8.287 1.00 35.12 H new ATOM 0 HD2 LYS A 416 -6.100 -6.645 7.997 1.00 53.21 H new ATOM 0 HD3 LYS A 416 -5.560 -5.861 9.469 1.00 53.21 H new ATOM 0 HE2 LYS A 416 -7.219 -6.851 10.783 1.00 40.43 H new ATOM 0 HE3 LYS A 416 -8.363 -6.957 9.460 1.00 40.43 H new ATOM 0 HZ1 LYS A 416 -7.511 -9.127 10.056 1.00 64.23 H new ATOM 0 HZ2 LYS A 416 -7.025 -8.723 8.480 1.00 64.23 H new ATOM 0 HZ3 LYS A 416 -5.917 -8.621 9.762 1.00 64.23 H new ATOM 1083 N GLY A 417 -5.462 -1.310 6.669 1.00 52.12 N ATOM 1084 CA GLY A 417 -5.114 -0.246 5.742 1.00 72.52 C ATOM 1085 C GLY A 417 -4.480 0.936 6.477 1.00 64.11 C ATOM 1086 O GLY A 417 -4.986 1.374 7.508 1.00 13.44 O ATOM 0 H GLY A 417 -6.227 -1.087 7.306 1.00 52.12 H new ATOM 0 HA2 GLY A 417 -4.421 -0.625 4.991 1.00 72.52 H new ATOM 0 HA3 GLY A 417 -6.007 0.087 5.213 1.00 72.52 H new ATOM 1090 N THR A 418 -3.380 1.418 5.917 1.00 0.31 N ATOM 1091 CA THR A 418 -2.671 2.541 6.507 1.00 41.35 C ATOM 1092 C THR A 418 -1.828 3.255 5.448 1.00 61.33 C ATOM 1093 O THR A 418 -0.897 2.672 4.894 1.00 74.45 O ATOM 1094 CB THR A 418 -1.849 2.015 7.685 1.00 42.42 C ATOM 1095 OG1 THR A 418 -1.151 0.895 7.149 1.00 62.25 O ATOM 1096 CG2 THR A 418 -2.723 1.416 8.788 1.00 14.41 C ATOM 0 H THR A 418 -2.963 1.052 5.061 1.00 0.31 H new ATOM 0 HA THR A 418 -3.364 3.292 6.886 1.00 41.35 H new ATOM 0 HB THR A 418 -1.248 2.825 8.098 1.00 42.42 H new ATOM 0 HG1 THR A 418 -0.884 1.087 6.226 1.00 62.25 H new ATOM 0 HG21 THR A 418 -2.090 1.058 9.600 1.00 14.41 H new ATOM 0 HG22 THR A 418 -3.403 2.178 9.168 1.00 14.41 H new ATOM 0 HG23 THR A 418 -3.300 0.584 8.384 1.00 14.41 H new ATOM 1104 N GLU A 419 -2.184 4.506 5.199 1.00 41.34 N ATOM 1105 CA GLU A 419 -1.472 5.306 4.216 1.00 23.51 C ATOM 1106 C GLU A 419 -1.448 6.775 4.643 1.00 21.52 C ATOM 1107 O GLU A 419 -2.353 7.238 5.336 1.00 44.14 O ATOM 1108 CB GLU A 419 -2.093 5.149 2.827 1.00 74.40 C ATOM 1109 CG GLU A 419 -3.577 5.521 2.845 1.00 52.30 C ATOM 1110 CD GLU A 419 -4.423 4.376 3.405 1.00 14.20 C ATOM 1111 OE1 GLU A 419 -4.656 4.315 4.621 1.00 20.45 O ATOM 1112 OE2 GLU A 419 -4.846 3.531 2.527 1.00 20.42 O ATOM 0 H GLU A 419 -2.956 4.986 5.661 1.00 41.34 H new ATOM 0 HA GLU A 419 -0.444 4.947 4.161 1.00 23.51 H new ATOM 0 HB2 GLU A 419 -1.564 5.782 2.115 1.00 74.40 H new ATOM 0 HB3 GLU A 419 -1.976 4.120 2.487 1.00 74.40 H new ATOM 0 HG2 GLU A 419 -3.724 6.416 3.450 1.00 52.30 H new ATOM 0 HG3 GLU A 419 -3.907 5.762 1.835 1.00 52.30 H new ATOM 1120 N PRO A 420 -0.375 7.484 4.201 1.00 14.31 N ATOM 1121 CA PRO A 420 -0.222 8.891 4.530 1.00 2.23 C ATOM 1122 C PRO A 420 -1.177 9.755 3.705 1.00 55.01 C ATOM 1123 O PRO A 420 -0.921 10.024 2.532 1.00 33.22 O ATOM 1124 CB PRO A 420 1.242 9.201 4.261 1.00 72.21 C ATOM 1125 CG PRO A 420 1.743 8.088 3.355 1.00 23.22 C ATOM 1126 CD PRO A 420 0.715 6.968 3.379 1.00 5.43 C ATOM 0 HA PRO A 420 -0.478 9.110 5.566 1.00 2.23 H new ATOM 0 HB2 PRO A 420 1.354 10.174 3.783 1.00 72.21 H new ATOM 0 HB3 PRO A 420 1.811 9.235 5.190 1.00 72.21 H new ATOM 0 HG2 PRO A 420 1.882 8.457 2.339 1.00 23.22 H new ATOM 0 HG3 PRO A 420 2.712 7.724 3.697 1.00 23.22 H new ATOM 0 HD2 PRO A 420 0.372 6.724 2.374 1.00 5.43 H new ATOM 0 HD3 PRO A 420 1.133 6.055 3.803 1.00 5.43 H new ATOM 1134 N ILE A 421 -2.259 10.166 4.350 1.00 53.11 N ATOM 1135 CA ILE A 421 -3.255 10.994 3.690 1.00 5.22 C ATOM 1136 C ILE A 421 -3.104 12.441 4.166 1.00 74.34 C ATOM 1137 O ILE A 421 -2.541 12.693 5.229 1.00 20.14 O ATOM 1138 CB ILE A 421 -4.656 10.419 3.903 1.00 13.20 C ATOM 1139 CG1 ILE A 421 -5.254 10.907 5.225 1.00 70.45 C ATOM 1140 CG2 ILE A 421 -4.643 8.892 3.809 1.00 44.13 C ATOM 1141 CD1 ILE A 421 -5.939 12.263 5.049 1.00 54.10 C ATOM 0 H ILE A 421 -2.468 9.941 5.323 1.00 53.11 H new ATOM 0 HA ILE A 421 -3.097 10.994 2.611 1.00 5.22 H new ATOM 0 HB ILE A 421 -5.300 10.785 3.103 1.00 13.20 H new ATOM 0 HG12 ILE A 421 -5.974 10.177 5.594 1.00 70.45 H new ATOM 0 HG13 ILE A 421 -4.468 10.987 5.976 1.00 70.45 H new ATOM 0 HG21 ILE A 421 -5.652 8.509 3.964 1.00 44.13 H new ATOM 0 HG22 ILE A 421 -4.289 8.591 2.823 1.00 44.13 H new ATOM 0 HG23 ILE A 421 -3.979 8.486 4.573 1.00 44.13 H new ATOM 0 HD11 ILE A 421 -6.355 12.587 6.003 1.00 54.10 H new ATOM 0 HD12 ILE A 421 -5.211 12.996 4.703 1.00 54.10 H new ATOM 0 HD13 ILE A 421 -6.740 12.173 4.315 1.00 54.10 H new ATOM 1153 N ILE A 422 -3.619 13.353 3.354 1.00 65.01 N ATOM 1154 CA ILE A 422 -3.549 14.768 3.678 1.00 22.32 C ATOM 1155 C ILE A 422 -4.957 15.290 3.967 1.00 14.31 C ATOM 1156 O ILE A 422 -5.764 15.449 3.052 1.00 33.13 O ATOM 1157 CB ILE A 422 -2.823 15.536 2.572 1.00 63.20 C ATOM 1158 CG1 ILE A 422 -1.389 15.030 2.403 1.00 23.54 C ATOM 1159 CG2 ILE A 422 -2.872 17.043 2.828 1.00 1.42 C ATOM 1160 CD1 ILE A 422 -0.568 15.986 1.537 1.00 42.45 C ATOM 0 H ILE A 422 -4.086 13.140 2.473 1.00 65.01 H new ATOM 0 HA ILE A 422 -2.959 14.923 4.581 1.00 22.32 H new ATOM 0 HB ILE A 422 -3.342 15.352 1.631 1.00 63.20 H new ATOM 0 HG12 ILE A 422 -0.919 14.925 3.381 1.00 23.54 H new ATOM 0 HG13 ILE A 422 -1.400 14.040 1.947 1.00 23.54 H new ATOM 0 HG21 ILE A 422 -2.349 17.565 2.027 1.00 1.42 H new ATOM 0 HG22 ILE A 422 -3.910 17.373 2.859 1.00 1.42 H new ATOM 0 HG23 ILE A 422 -2.392 17.266 3.781 1.00 1.42 H new ATOM 0 HD11 ILE A 422 0.447 15.602 1.433 1.00 42.45 H new ATOM 0 HD12 ILE A 422 -1.027 16.070 0.552 1.00 42.45 H new ATOM 0 HD13 ILE A 422 -0.538 16.969 2.008 1.00 42.45 H new ATOM 1172 N VAL A 423 -5.210 15.544 5.243 1.00 60.52 N ATOM 1173 CA VAL A 423 -6.507 16.045 5.664 1.00 52.03 C ATOM 1174 C VAL A 423 -6.622 17.525 5.293 1.00 3.01 C ATOM 1175 O VAL A 423 -5.621 18.240 5.260 1.00 71.52 O ATOM 1176 CB VAL A 423 -6.709 15.786 7.158 1.00 22.41 C ATOM 1177 CG1 VAL A 423 -8.143 16.107 7.582 1.00 53.33 C ATOM 1178 CG2 VAL A 423 -6.340 14.345 7.519 1.00 14.10 C ATOM 0 H VAL A 423 -4.538 15.412 5.999 1.00 60.52 H new ATOM 0 HA VAL A 423 -7.307 15.516 5.145 1.00 52.03 H new ATOM 0 HB VAL A 423 -6.041 16.451 7.706 1.00 22.41 H new ATOM 0 HG11 VAL A 423 -8.259 15.914 8.648 1.00 53.33 H new ATOM 0 HG12 VAL A 423 -8.357 17.156 7.378 1.00 53.33 H new ATOM 0 HG13 VAL A 423 -8.837 15.480 7.022 1.00 53.33 H new ATOM 0 HG21 VAL A 423 -6.493 14.187 8.587 1.00 14.10 H new ATOM 0 HG22 VAL A 423 -6.970 13.656 6.956 1.00 14.10 H new ATOM 0 HG23 VAL A 423 -5.294 14.164 7.271 1.00 14.10 H new ATOM 1188 N ASP A 424 -7.850 17.941 5.024 1.00 54.31 N ATOM 1189 CA ASP A 424 -8.109 19.323 4.657 1.00 43.41 C ATOM 1190 C ASP A 424 -9.195 19.895 5.571 1.00 63.32 C ATOM 1191 O ASP A 424 -10.225 19.260 5.788 1.00 35.31 O ATOM 1192 CB ASP A 424 -8.604 19.427 3.213 1.00 65.51 C ATOM 1193 CG ASP A 424 -8.230 20.724 2.493 1.00 73.34 C ATOM 1194 OD1 ASP A 424 -8.970 21.207 1.622 1.00 21.53 O ATOM 1195 OD2 ASP A 424 -7.112 21.250 2.862 1.00 13.44 O ATOM 0 H ASP A 424 -8.677 17.345 5.053 1.00 54.31 H new ATOM 0 HA ASP A 424 -7.177 19.878 4.759 1.00 43.41 H new ATOM 0 HB2 ASP A 424 -8.204 18.586 2.646 1.00 65.51 H new ATOM 0 HB3 ASP A 424 -9.689 19.327 3.209 1.00 65.51 H new ATOM 1201 N PRO A 425 -8.919 21.119 6.095 1.00 33.00 N ATOM 1202 CA PRO A 425 -9.861 21.783 6.980 1.00 3.04 C ATOM 1203 C PRO A 425 -11.047 22.347 6.196 1.00 42.52 C ATOM 1204 O PRO A 425 -10.977 22.492 4.976 1.00 4.33 O ATOM 1205 CB PRO A 425 -9.048 22.858 7.684 1.00 71.12 C ATOM 1206 CG PRO A 425 -7.804 23.063 6.834 1.00 33.14 C ATOM 1207 CD PRO A 425 -7.709 21.901 5.860 1.00 62.44 C ATOM 0 HA PRO A 425 -10.309 21.103 7.704 1.00 3.04 H new ATOM 0 HB2 PRO A 425 -9.617 23.783 7.773 1.00 71.12 H new ATOM 0 HB3 PRO A 425 -8.784 22.548 8.695 1.00 71.12 H new ATOM 0 HG2 PRO A 425 -7.861 24.009 6.295 1.00 33.14 H new ATOM 0 HG3 PRO A 425 -6.915 23.108 7.463 1.00 33.14 H new ATOM 0 HD2 PRO A 425 -7.658 22.252 4.829 1.00 62.44 H new ATOM 0 HD3 PRO A 425 -6.813 21.307 6.039 1.00 62.44 H new ATOM 1215 N PHE A 426 -12.109 22.651 6.928 1.00 44.13 N ATOM 1216 CA PHE A 426 -13.308 23.197 6.316 1.00 72.34 C ATOM 1217 C PHE A 426 -12.956 24.236 5.250 1.00 42.33 C ATOM 1218 O PHE A 426 -12.217 25.182 5.520 1.00 23.40 O ATOM 1219 CB PHE A 426 -14.109 23.876 7.428 1.00 22.15 C ATOM 1220 CG PHE A 426 -15.080 24.948 6.931 1.00 53.13 C ATOM 1221 CD1 PHE A 426 -15.851 24.711 5.835 1.00 13.45 C ATOM 1222 CD2 PHE A 426 -15.173 26.138 7.583 1.00 21.42 C ATOM 1223 CE1 PHE A 426 -16.753 25.706 5.373 1.00 2.45 C ATOM 1224 CE2 PHE A 426 -16.074 27.133 7.121 1.00 34.32 C ATOM 1225 CZ PHE A 426 -16.845 26.896 6.026 1.00 53.10 C ATOM 0 H PHE A 426 -12.164 22.529 7.939 1.00 44.13 H new ATOM 0 HA PHE A 426 -13.875 22.400 5.835 1.00 72.34 H new ATOM 0 HB2 PHE A 426 -14.670 23.117 7.973 1.00 22.15 H new ATOM 0 HB3 PHE A 426 -13.415 24.329 8.136 1.00 22.15 H new ATOM 0 HD1 PHE A 426 -15.777 23.766 5.317 1.00 13.45 H new ATOM 0 HD2 PHE A 426 -14.561 26.326 8.453 1.00 21.42 H new ATOM 0 HE1 PHE A 426 -17.366 25.518 4.504 1.00 2.45 H new ATOM 0 HE2 PHE A 426 -16.147 28.078 7.639 1.00 34.32 H new ATOM 0 HZ PHE A 426 -17.531 27.653 5.675 1.00 53.10 H new