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 -156:sc= -2.89! USER MOD Set 1.2: A 390 HIS : no HD1:sc= -5.73! C(o=-20!,f=-26!) USER MOD Set 1.3: A 392 MET CE :methyl -105:sc= -6.33! (180deg=-9.65!) USER MOD Set 1.4: A 408 CYS SG : rot -150:sc= -4.99! USER MOD Set 1.5: A 411 CYS SG : rot -135:sc= -0.138 USER MOD Set 2.1: A 373 CYS SG : rot -179:sc= -0.0392 USER MOD Set 2.2: A 376 CYS SG : rot 98:sc= -14.6! USER MOD Set 2.3: A 393 CYS SG : rot 103:sc= -24! USER MOD Set 2.4: A 396 CYS SG : rot 137:sc= -33! USER MOD Set 3.1: A 369 THR OG1 : rot 180:sc= -0.216 USER MOD Set 3.2: A 371 GLN :FLIP amide:sc= -6.64! C(o=-8!,f=-6.9!) USER MOD Single : A 350 SER OG : rot -85:sc= 1.13 USER MOD Single : A 352 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-1.1) USER MOD Single : A 354 LYS NZ :NH3+ 163:sc= -0.0524 (180deg=-1.11!) USER MOD Single : A 356 THR OG1 : rot 180:sc= -1.88 USER MOD Single : A 357 GLN :FLIP amide:sc= 0.629 F(o=-0.61,f=0.63) USER MOD Single : A 359 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 67:sc= 0.257 USER MOD Single : A 366 MET CE :methyl 168:sc= 0 (180deg=-0.0621) USER MOD Single : A 368 SER OG : rot 110:sc= -0.895 USER MOD Single : A 374 LYS NZ :NH3+ -176:sc= -0.53! (180deg=-0.764!) USER MOD Single : A 379 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 381 LYS NZ :NH3+ 155:sc= -0.0995 (180deg=-1.31) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot 180:sc=0.000222 USER MOD Single : A 395 SER OG : rot 180:sc= 0.0054 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 401 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.7!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.0485 K(o=-0.049,f=-3.3!) USER MOD Single : A 413 CYS SG : rot 74:sc=0.000338 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.265 10.693 -1.420 1.00 74.11 N ATOM 64 CA SER A 350 -0.811 11.624 -0.447 1.00 25.23 C ATOM 65 C SER A 350 -2.236 12.016 -0.839 1.00 53.33 C ATOM 66 O SER A 350 -2.470 12.488 -1.951 1.00 13.32 O ATOM 67 CB SER A 350 0.068 12.870 -0.324 1.00 44.13 C ATOM 68 OG SER A 350 1.343 12.571 0.240 1.00 55.52 O ATOM 0 HA SER A 350 -0.832 11.130 0.524 1.00 25.23 H new ATOM 0 HB2 SER A 350 0.203 13.317 -1.309 1.00 44.13 H new ATOM 0 HB3 SER A 350 -0.438 13.611 0.295 1.00 44.13 H new ATOM 0 HG SER A 350 1.277 12.576 1.218 1.00 55.52 H new ATOM 74 N ASP A 351 -3.152 11.806 0.095 1.00 51.51 N ATOM 75 CA ASP A 351 -4.549 12.132 -0.139 1.00 44.45 C ATOM 76 C ASP A 351 -4.819 13.564 0.328 1.00 32.23 C ATOM 77 O ASP A 351 -3.978 14.175 0.985 1.00 12.34 O ATOM 78 CB ASP A 351 -5.471 11.197 0.644 1.00 74.33 C ATOM 79 CG ASP A 351 -6.830 10.934 -0.008 1.00 73.24 C ATOM 80 OD1 ASP A 351 -7.879 11.334 0.518 1.00 34.41 O ATOM 81 OD2 ASP A 351 -6.785 10.280 -1.119 1.00 65.24 O ATOM 0 H ASP A 351 -2.954 11.414 1.016 1.00 51.51 H new ATOM 0 HA ASP A 351 -4.747 12.023 -1.205 1.00 44.45 H new ATOM 0 HB2 ASP A 351 -4.962 10.244 0.785 1.00 74.33 H new ATOM 0 HB3 ASP A 351 -5.636 11.620 1.635 1.00 74.33 H new ATOM 87 N HIS A 352 -5.996 14.056 -0.029 1.00 11.43 N ATOM 88 CA HIS A 352 -6.388 15.404 0.346 1.00 11.44 C ATOM 89 C HIS A 352 -7.722 15.362 1.094 1.00 74.33 C ATOM 90 O HIS A 352 -8.749 15.002 0.519 1.00 23.42 O ATOM 91 CB HIS A 352 -6.424 16.320 -0.879 1.00 4.44 C ATOM 92 CG HIS A 352 -5.085 16.923 -1.234 1.00 13.13 C ATOM 93 ND1 HIS A 352 -4.250 17.501 -0.294 1.00 31.14 N ATOM 94 CD2 HIS A 352 -4.447 17.031 -2.434 1.00 64.41 C ATOM 95 CE1 HIS A 352 -3.161 17.934 -0.912 1.00 12.25 C ATOM 96 NE2 HIS A 352 -3.285 17.642 -2.238 1.00 51.32 N ATOM 0 H HIS A 352 -6.691 13.546 -0.574 1.00 11.43 H new ATOM 0 HA HIS A 352 -5.645 15.827 1.022 1.00 11.44 H new ATOM 0 HB2 HIS A 352 -6.794 15.753 -1.733 1.00 4.44 H new ATOM 0 HB3 HIS A 352 -7.137 17.124 -0.698 1.00 4.44 H new ATOM 0 HD2 HIS A 352 -4.823 16.679 -3.383 1.00 64.41 H new ATOM 0 HE1 HIS A 352 -2.322 18.431 -0.447 1.00 12.25 H new ATOM 0 HE2 HIS A 352 -2.598 17.858 -2.960 1.00 51.32 H new ATOM 104 N ILE A 353 -7.665 15.734 2.364 1.00 42.42 N ATOM 105 CA ILE A 353 -8.856 15.743 3.196 1.00 1.20 C ATOM 106 C ILE A 353 -9.349 17.182 3.358 1.00 52.54 C ATOM 107 O ILE A 353 -8.547 18.109 3.467 1.00 72.31 O ATOM 108 CB ILE A 353 -8.587 15.032 4.524 1.00 50.50 C ATOM 109 CG1 ILE A 353 -8.674 13.514 4.360 1.00 21.34 C ATOM 110 CG2 ILE A 353 -9.523 15.546 5.620 1.00 74.52 C ATOM 111 CD1 ILE A 353 -7.308 12.921 4.009 1.00 41.02 C ATOM 0 H ILE A 353 -6.812 16.032 2.838 1.00 42.42 H new ATOM 0 HA ILE A 353 -9.659 15.183 2.718 1.00 1.20 H new ATOM 0 HB ILE A 353 -7.569 15.264 4.836 1.00 50.50 H new ATOM 0 HG12 ILE A 353 -9.043 13.066 5.282 1.00 21.34 H new ATOM 0 HG13 ILE A 353 -9.392 13.270 3.577 1.00 21.34 H new ATOM 0 HG21 ILE A 353 -9.311 15.025 6.553 1.00 74.52 H new ATOM 0 HG22 ILE A 353 -9.368 16.616 5.759 1.00 74.52 H new ATOM 0 HG23 ILE A 353 -10.558 15.364 5.330 1.00 74.52 H new ATOM 0 HD11 ILE A 353 -7.398 11.840 3.898 1.00 41.02 H new ATOM 0 HD12 ILE A 353 -6.953 13.353 3.074 1.00 41.02 H new ATOM 0 HD13 ILE A 353 -6.598 13.146 4.805 1.00 41.02 H new ATOM 123 N LYS A 354 -10.666 17.325 3.368 1.00 53.13 N ATOM 124 CA LYS A 354 -11.276 18.636 3.514 1.00 31.11 C ATOM 125 C LYS A 354 -12.244 18.614 4.699 1.00 71.22 C ATOM 126 O LYS A 354 -13.223 17.869 4.692 1.00 63.44 O ATOM 127 CB LYS A 354 -11.923 19.076 2.199 1.00 31.33 C ATOM 128 CG LYS A 354 -12.692 20.386 2.378 1.00 0.41 C ATOM 129 CD LYS A 354 -11.741 21.540 2.704 1.00 60.13 C ATOM 130 CE LYS A 354 -10.898 21.917 1.484 1.00 72.44 C ATOM 131 NZ LYS A 354 -10.184 23.191 1.720 1.00 14.44 N ATOM 0 H LYS A 354 -11.328 16.554 3.277 1.00 53.13 H new ATOM 0 HA LYS A 354 -10.517 19.387 3.735 1.00 31.11 H new ATOM 0 HB2 LYS A 354 -11.155 19.202 1.436 1.00 31.33 H new ATOM 0 HB3 LYS A 354 -12.600 18.298 1.844 1.00 31.33 H new ATOM 0 HG2 LYS A 354 -13.247 20.613 1.468 1.00 0.41 H new ATOM 0 HG3 LYS A 354 -13.424 20.276 3.178 1.00 0.41 H new ATOM 0 HD2 LYS A 354 -12.314 22.406 3.036 1.00 60.13 H new ATOM 0 HD3 LYS A 354 -11.087 21.255 3.528 1.00 60.13 H new ATOM 0 HE2 LYS A 354 -10.180 21.125 1.272 1.00 72.44 H new ATOM 0 HE3 LYS A 354 -11.538 22.009 0.607 1.00 72.44 H new ATOM 0 HZ1 LYS A 354 -9.412 23.289 1.030 1.00 14.44 H new ATOM 0 HZ2 LYS A 354 -10.847 23.985 1.614 1.00 14.44 H new ATOM 0 HZ3 LYS A 354 -9.790 23.195 2.683 1.00 14.44 H new ATOM 144 N VAL A 355 -11.937 19.440 5.688 1.00 31.21 N ATOM 145 CA VAL A 355 -12.768 19.524 6.877 1.00 3.54 C ATOM 146 C VAL A 355 -14.134 20.101 6.500 1.00 60.50 C ATOM 147 O VAL A 355 -14.256 20.820 5.510 1.00 72.02 O ATOM 148 CB VAL A 355 -12.053 20.339 7.958 1.00 73.12 C ATOM 149 CG1 VAL A 355 -12.988 20.628 9.134 1.00 22.02 C ATOM 150 CG2 VAL A 355 -10.782 19.629 8.429 1.00 52.35 C ATOM 0 H VAL A 355 -11.125 20.057 5.691 1.00 31.21 H new ATOM 0 HA VAL A 355 -12.938 18.532 7.295 1.00 3.54 H new ATOM 0 HB VAL A 355 -11.760 21.293 7.520 1.00 73.12 H new ATOM 0 HG11 VAL A 355 -12.456 21.208 9.888 1.00 22.02 H new ATOM 0 HG12 VAL A 355 -13.850 21.194 8.782 1.00 22.02 H new ATOM 0 HG13 VAL A 355 -13.325 19.688 9.571 1.00 22.02 H new ATOM 0 HG21 VAL A 355 -10.293 20.229 9.197 1.00 52.35 H new ATOM 0 HG22 VAL A 355 -11.041 18.654 8.841 1.00 52.35 H new ATOM 0 HG23 VAL A 355 -10.105 19.498 7.585 1.00 52.35 H new ATOM 160 N THR A 356 -15.127 19.763 7.309 1.00 30.42 N ATOM 161 CA THR A 356 -16.480 20.237 7.073 1.00 41.24 C ATOM 162 C THR A 356 -17.031 20.924 8.324 1.00 23.51 C ATOM 163 O THR A 356 -16.515 20.725 9.423 1.00 10.21 O ATOM 164 CB THR A 356 -17.324 19.048 6.610 1.00 31.03 C ATOM 165 OG1 THR A 356 -16.984 18.006 7.521 1.00 51.00 O ATOM 166 CG2 THR A 356 -16.882 18.511 5.248 1.00 72.34 C ATOM 0 H THR A 356 -15.022 19.166 8.129 1.00 30.42 H new ATOM 0 HA THR A 356 -16.502 20.994 6.289 1.00 41.24 H new ATOM 0 HB THR A 356 -18.372 19.344 6.560 1.00 31.03 H new ATOM 0 HG1 THR A 356 -17.488 17.196 7.295 1.00 51.00 H new ATOM 0 HG21 THR A 356 -17.514 17.668 4.967 1.00 72.34 H new ATOM 0 HG22 THR A 356 -16.973 19.298 4.500 1.00 72.34 H new ATOM 0 HG23 THR A 356 -15.844 18.183 5.306 1.00 72.34 H new ATOM 174 N GLN A 357 -18.071 21.717 8.116 1.00 73.34 N ATOM 175 CA GLN A 357 -18.698 22.433 9.213 1.00 2.53 C ATOM 176 C GLN A 357 -19.137 21.455 10.304 1.00 23.15 C ATOM 177 O GLN A 357 -19.019 21.751 11.493 1.00 64.34 O ATOM 178 CB GLN A 357 -19.880 23.269 8.719 1.00 40.24 C ATOM 179 CG GLN A 357 -19.397 24.520 7.982 1.00 1.42 C ATOM 180 CD GLN A 357 -20.399 25.667 8.134 1.00 61.24 C ATOM 181 OE1 GLN A 357 -21.670 25.277 8.139 1.00 11.51 O flip ATOM 182 NE2 GLN A 357 -20.041 26.828 8.238 1.00 34.24 N flip ATOM 0 H GLN A 357 -18.496 21.880 7.203 1.00 73.34 H new ATOM 0 HA GLN A 357 -17.965 23.117 9.639 1.00 2.53 H new ATOM 0 HB2 GLN A 357 -20.502 22.669 8.055 1.00 40.24 H new ATOM 0 HB3 GLN A 357 -20.504 23.559 9.565 1.00 40.24 H new ATOM 0 HG2 GLN A 357 -18.427 24.826 8.374 1.00 1.42 H new ATOM 0 HG3 GLN A 357 -19.257 24.293 6.925 1.00 1.42 H new ATOM 0 HE21 GLN A 357 -19.047 27.058 8.227 1.00 34.24 H new ATOM 0 HE22 GLN A 357 -20.735 27.569 8.336 1.00 34.24 H new ATOM 191 N GLU A 358 -19.634 20.309 9.862 1.00 10.32 N ATOM 192 CA GLU A 358 -20.091 19.285 10.786 1.00 12.44 C ATOM 193 C GLU A 358 -18.983 18.937 11.783 1.00 75.24 C ATOM 194 O GLU A 358 -19.262 18.595 12.931 1.00 4.20 O ATOM 195 CB GLU A 358 -20.564 18.040 10.034 1.00 32.25 C ATOM 196 CG GLU A 358 -19.434 17.445 9.192 1.00 4.24 C ATOM 197 CD GLU A 358 -19.941 16.283 8.336 1.00 4.10 C ATOM 198 OE1 GLU A 358 -19.686 15.114 8.663 1.00 1.55 O ATOM 199 OE2 GLU A 358 -20.623 16.628 7.297 1.00 12.43 O ATOM 0 H GLU A 358 -19.730 20.067 8.876 1.00 10.32 H new ATOM 0 HA GLU A 358 -20.942 19.678 11.342 1.00 12.44 H new ATOM 0 HB2 GLU A 358 -20.923 17.296 10.745 1.00 32.25 H new ATOM 0 HB3 GLU A 358 -21.405 18.297 9.390 1.00 32.25 H new ATOM 0 HG2 GLU A 358 -19.010 18.216 8.549 1.00 4.24 H new ATOM 0 HG3 GLU A 358 -18.633 17.098 9.845 1.00 4.24 H new ATOM 207 N GLN A 359 -17.751 19.035 11.307 1.00 40.14 N ATOM 208 CA GLN A 359 -16.600 18.734 12.141 1.00 12.42 C ATOM 209 C GLN A 359 -16.221 19.955 12.983 1.00 72.24 C ATOM 210 O GLN A 359 -16.348 19.933 14.206 1.00 43.31 O ATOM 211 CB GLN A 359 -15.416 18.264 11.294 1.00 74.40 C ATOM 212 CG GLN A 359 -15.802 17.057 10.436 1.00 42.03 C ATOM 213 CD GLN A 359 -14.575 16.202 10.109 1.00 15.23 C ATOM 214 OE1 GLN A 359 -14.410 15.096 10.597 1.00 73.15 O ATOM 215 NE2 GLN A 359 -13.727 16.775 9.260 1.00 74.02 N ATOM 0 H GLN A 359 -17.524 19.319 10.354 1.00 40.14 H new ATOM 0 HA GLN A 359 -16.868 17.920 12.815 1.00 12.42 H new ATOM 0 HB2 GLN A 359 -15.077 19.078 10.653 1.00 74.40 H new ATOM 0 HB3 GLN A 359 -14.581 18.001 11.943 1.00 74.40 H new ATOM 0 HG2 GLN A 359 -16.541 16.453 10.963 1.00 42.03 H new ATOM 0 HG3 GLN A 359 -16.269 17.398 9.512 1.00 42.03 H new ATOM 0 HE21 GLN A 359 -13.926 17.704 8.889 1.00 74.02 H new ATOM 0 HE22 GLN A 359 -12.877 16.286 8.980 1.00 74.02 H new ATOM 224 N TYR A 360 -15.764 20.990 12.293 1.00 31.15 N ATOM 225 CA TYR A 360 -15.366 22.217 12.962 1.00 0.11 C ATOM 226 C TYR A 360 -16.357 22.586 14.068 1.00 74.34 C ATOM 227 O TYR A 360 -15.964 23.103 15.112 1.00 60.10 O ATOM 228 CB TYR A 360 -15.388 23.308 11.889 1.00 23.24 C ATOM 229 CG TYR A 360 -14.441 24.477 12.171 1.00 35.52 C ATOM 230 CD1 TYR A 360 -13.140 24.232 12.559 1.00 2.52 C ATOM 231 CD2 TYR A 360 -14.890 25.775 12.037 1.00 4.13 C ATOM 232 CE1 TYR A 360 -12.249 25.332 12.824 1.00 12.54 C ATOM 233 CE2 TYR A 360 -13.999 26.875 12.303 1.00 51.14 C ATOM 234 CZ TYR A 360 -12.723 26.600 12.683 1.00 22.51 C ATOM 235 OH TYR A 360 -11.882 27.638 12.934 1.00 43.55 O ATOM 0 H TYR A 360 -15.661 21.004 11.278 1.00 31.15 H new ATOM 0 HA TYR A 360 -14.385 22.102 13.422 1.00 0.11 H new ATOM 0 HB2 TYR A 360 -15.125 22.864 10.929 1.00 23.24 H new ATOM 0 HB3 TYR A 360 -16.404 23.691 11.796 1.00 23.24 H new ATOM 0 HD1 TYR A 360 -12.790 23.216 12.664 1.00 2.52 H new ATOM 0 HD2 TYR A 360 -15.909 25.966 11.733 1.00 4.13 H new ATOM 0 HE1 TYR A 360 -11.228 25.155 13.128 1.00 12.54 H new ATOM 0 HE2 TYR A 360 -14.337 27.896 12.203 1.00 51.14 H new ATOM 0 HH TYR A 360 -12.355 28.484 12.792 1.00 43.55 H new ATOM 245 N GLU A 361 -17.624 22.305 13.800 1.00 53.11 N ATOM 246 CA GLU A 361 -18.675 22.601 14.759 1.00 71.20 C ATOM 247 C GLU A 361 -18.516 21.729 16.006 1.00 73.50 C ATOM 248 O GLU A 361 -18.305 22.241 17.104 1.00 44.43 O ATOM 249 CB GLU A 361 -20.058 22.414 14.132 1.00 51.31 C ATOM 250 CG GLU A 361 -20.449 23.633 13.294 1.00 40.13 C ATOM 251 CD GLU A 361 -21.970 23.749 13.170 1.00 24.14 C ATOM 252 OE1 GLU A 361 -22.474 24.749 12.638 1.00 71.43 O ATOM 253 OE2 GLU A 361 -22.633 22.752 13.651 1.00 10.51 O ATOM 0 H GLU A 361 -17.946 21.876 12.933 1.00 53.11 H new ATOM 0 HA GLU A 361 -18.585 23.646 15.056 1.00 71.20 H new ATOM 0 HB2 GLU A 361 -20.060 21.522 13.506 1.00 51.31 H new ATOM 0 HB3 GLU A 361 -20.798 22.255 14.916 1.00 51.31 H new ATOM 0 HG2 GLU A 361 -20.048 24.537 13.752 1.00 40.13 H new ATOM 0 HG3 GLU A 361 -20.005 23.554 12.302 1.00 40.13 H new ATOM 261 N LEU A 362 -18.625 20.425 15.795 1.00 2.01 N ATOM 262 CA LEU A 362 -18.496 19.477 16.888 1.00 20.34 C ATOM 263 C LEU A 362 -17.195 19.751 17.645 1.00 65.22 C ATOM 264 O LEU A 362 -17.080 19.524 18.850 1.00 62.54 O ATOM 265 CB LEU A 362 -18.616 18.042 16.370 1.00 2.13 C ATOM 266 CG LEU A 362 -18.513 16.938 17.424 1.00 35.42 C ATOM 267 CD1 LEU A 362 -19.310 15.701 17.002 1.00 43.42 C ATOM 268 CD2 LEU A 362 -17.052 16.602 17.727 1.00 43.12 C ATOM 0 H LEU A 362 -18.801 20.003 14.883 1.00 2.01 H new ATOM 0 HA LEU A 362 -19.312 19.604 17.600 1.00 20.34 H new ATOM 0 HB2 LEU A 362 -19.573 17.940 15.858 1.00 2.13 H new ATOM 0 HB3 LEU A 362 -17.837 17.879 15.625 1.00 2.13 H new ATOM 0 HG LEU A 362 -18.956 17.307 18.349 1.00 35.42 H new ATOM 0 HD11 LEU A 362 -19.220 14.931 17.769 1.00 43.42 H new ATOM 0 HD12 LEU A 362 -20.359 15.969 16.878 1.00 43.42 H new ATOM 0 HD13 LEU A 362 -18.919 15.321 16.058 1.00 43.42 H new ATOM 0 HD21 LEU A 362 -17.008 15.814 18.479 1.00 43.12 H new ATOM 0 HD22 LEU A 362 -16.561 16.261 16.816 1.00 43.12 H new ATOM 0 HD23 LEU A 362 -16.545 17.491 18.102 1.00 43.12 H new ATOM 304 N CYS A 364 -15.833 22.793 17.644 1.00 24.10 N ATOM 305 CA CYS A 364 -15.925 24.151 18.152 1.00 45.21 C ATOM 306 C CYS A 364 -16.344 24.087 19.622 1.00 43.11 C ATOM 307 O CYS A 364 -16.074 25.010 20.389 1.00 53.43 O ATOM 308 CB CYS A 364 -16.887 25.002 17.321 1.00 41.04 C ATOM 309 SG CYS A 364 -15.982 25.813 15.952 1.00 14.10 S ATOM 0 HA CYS A 364 -14.953 24.638 18.073 1.00 45.21 H new ATOM 0 HB2 CYS A 364 -17.685 24.377 16.920 1.00 41.04 H new ATOM 0 HB3 CYS A 364 -17.358 25.755 17.953 1.00 41.04 H new ATOM 0 HG CYS A 364 -15.561 24.911 15.116 1.00 14.10 H new ATOM 315 N GLU A 365 -16.996 22.988 19.971 1.00 51.02 N ATOM 316 CA GLU A 365 -17.455 22.791 21.335 1.00 11.43 C ATOM 317 C GLU A 365 -16.267 22.527 22.262 1.00 2.02 C ATOM 318 O GLU A 365 -16.367 22.714 23.474 1.00 64.22 O ATOM 319 CB GLU A 365 -18.474 21.653 21.412 1.00 14.13 C ATOM 320 CG GLU A 365 -19.875 22.146 21.044 1.00 34.24 C ATOM 321 CD GLU A 365 -20.013 22.326 19.531 1.00 15.03 C ATOM 322 OE1 GLU A 365 -19.610 23.367 18.992 1.00 53.13 O ATOM 323 OE2 GLU A 365 -20.561 21.336 18.912 1.00 34.20 O ATOM 0 H GLU A 365 -17.217 22.224 19.332 1.00 51.02 H new ATOM 0 HA GLU A 365 -17.953 23.703 21.665 1.00 11.43 H new ATOM 0 HB2 GLU A 365 -18.179 20.849 20.738 1.00 14.13 H new ATOM 0 HB3 GLU A 365 -18.484 21.236 22.419 1.00 14.13 H new ATOM 0 HG2 GLU A 365 -20.620 21.434 21.398 1.00 34.24 H new ATOM 0 HG3 GLU A 365 -20.075 23.093 21.546 1.00 34.24 H new ATOM 331 N MET A 366 -15.170 22.096 21.657 1.00 3.40 N ATOM 332 CA MET A 366 -13.964 21.804 22.413 1.00 4.40 C ATOM 333 C MET A 366 -12.931 22.922 22.252 1.00 53.22 C ATOM 334 O MET A 366 -12.114 23.151 23.142 1.00 33.45 O ATOM 335 CB MET A 366 -13.365 20.482 21.929 1.00 43.55 C ATOM 336 CG MET A 366 -14.464 19.476 21.585 1.00 35.41 C ATOM 337 SD MET A 366 -13.840 17.811 21.744 1.00 44.21 S ATOM 338 CE MET A 366 -13.921 17.286 20.040 1.00 71.40 C ATOM 0 H MET A 366 -15.091 21.942 20.652 1.00 3.40 H new ATOM 0 HA MET A 366 -14.229 21.729 23.468 1.00 4.40 H new ATOM 0 HB2 MET A 366 -12.743 20.660 21.052 1.00 43.55 H new ATOM 0 HB3 MET A 366 -12.717 20.068 22.701 1.00 43.55 H new ATOM 0 HG2 MET A 366 -15.318 19.618 22.247 1.00 35.41 H new ATOM 0 HG3 MET A 366 -14.818 19.645 20.568 1.00 35.41 H new ATOM 0 HE1 MET A 366 -13.374 16.351 19.921 1.00 71.40 H new ATOM 0 HE2 MET A 366 -14.962 17.136 19.755 1.00 71.40 H new ATOM 0 HE3 MET A 366 -13.476 18.050 19.402 1.00 71.40 H new ATOM 348 N GLY A 367 -13.002 23.589 21.109 1.00 11.23 N ATOM 349 CA GLY A 367 -12.084 24.678 20.820 1.00 61.41 C ATOM 350 C GLY A 367 -10.803 24.155 20.166 1.00 52.22 C ATOM 351 O GLY A 367 -9.708 24.623 20.475 1.00 34.14 O ATOM 0 H GLY A 367 -13.681 23.396 20.372 1.00 11.23 H new ATOM 0 HA2 GLY A 367 -12.566 25.399 20.160 1.00 61.41 H new ATOM 0 HA3 GLY A 367 -11.837 25.205 21.742 1.00 61.41 H new ATOM 355 N SER A 368 -10.983 23.193 19.273 1.00 23.21 N ATOM 356 CA SER A 368 -9.855 22.602 18.573 1.00 71.14 C ATOM 357 C SER A 368 -10.212 22.378 17.102 1.00 71.51 C ATOM 358 O SER A 368 -11.337 22.649 16.684 1.00 45.22 O ATOM 359 CB SER A 368 -9.432 21.283 19.223 1.00 12.33 C ATOM 360 OG SER A 368 -8.214 20.785 18.676 1.00 34.44 O ATOM 0 H SER A 368 -11.893 22.808 19.018 1.00 23.21 H new ATOM 0 HA SER A 368 -9.014 23.292 18.636 1.00 71.14 H new ATOM 0 HB2 SER A 368 -9.314 21.429 20.297 1.00 12.33 H new ATOM 0 HB3 SER A 368 -10.220 20.542 19.087 1.00 12.33 H new ATOM 0 HG SER A 368 -7.500 20.862 19.343 1.00 34.44 H new ATOM 366 N THR A 369 -9.234 21.884 16.357 1.00 23.23 N ATOM 367 CA THR A 369 -9.430 21.620 14.942 1.00 34.20 C ATOM 368 C THR A 369 -9.366 20.116 14.666 1.00 1.40 C ATOM 369 O THR A 369 -9.162 19.322 15.582 1.00 22.43 O ATOM 370 CB THR A 369 -8.390 22.426 14.162 1.00 54.14 C ATOM 371 OG1 THR A 369 -7.180 21.695 14.338 1.00 73.41 O ATOM 372 CG2 THR A 369 -8.101 23.785 14.803 1.00 72.11 C ATOM 0 H THR A 369 -8.303 21.660 16.707 1.00 23.23 H new ATOM 0 HA THR A 369 -10.420 21.937 14.614 1.00 34.20 H new ATOM 0 HB THR A 369 -8.738 22.574 13.140 1.00 54.14 H new ATOM 0 HG1 THR A 369 -6.452 22.148 13.862 1.00 73.41 H new ATOM 0 HG21 THR A 369 -7.356 24.316 14.210 1.00 72.11 H new ATOM 0 HG22 THR A 369 -9.019 24.371 14.842 1.00 72.11 H new ATOM 0 HG23 THR A 369 -7.721 23.637 15.814 1.00 72.11 H new ATOM 380 N PHE A 370 -9.544 19.772 13.399 1.00 25.42 N ATOM 381 CA PHE A 370 -9.508 18.378 12.991 1.00 70.41 C ATOM 382 C PHE A 370 -8.072 17.920 12.726 1.00 52.21 C ATOM 383 O PHE A 370 -7.545 17.071 13.443 1.00 72.24 O ATOM 384 CB PHE A 370 -10.312 18.271 11.694 1.00 73.22 C ATOM 385 CG PHE A 370 -10.103 16.957 10.938 1.00 34.35 C ATOM 386 CD1 PHE A 370 -10.633 15.802 11.424 1.00 72.13 C ATOM 387 CD2 PHE A 370 -9.388 16.943 9.782 1.00 41.40 C ATOM 388 CE1 PHE A 370 -10.439 14.582 10.723 1.00 53.32 C ATOM 389 CE2 PHE A 370 -9.194 15.724 9.081 1.00 20.31 C ATOM 390 CZ PHE A 370 -9.724 14.569 9.566 1.00 22.13 C ATOM 0 H PHE A 370 -9.713 20.434 12.642 1.00 25.42 H new ATOM 0 HA PHE A 370 -9.921 17.749 13.780 1.00 70.41 H new ATOM 0 HB2 PHE A 370 -11.372 18.380 11.925 1.00 73.22 H new ATOM 0 HB3 PHE A 370 -10.041 19.101 11.041 1.00 73.22 H new ATOM 0 HD1 PHE A 370 -11.201 15.813 12.342 1.00 72.13 H new ATOM 0 HD2 PHE A 370 -8.967 17.860 9.397 1.00 41.40 H new ATOM 0 HE1 PHE A 370 -10.859 13.665 11.109 1.00 53.32 H new ATOM 0 HE2 PHE A 370 -8.626 15.714 8.163 1.00 20.31 H new ATOM 0 HZ PHE A 370 -9.577 13.642 9.032 1.00 22.13 H new ATOM 400 N GLN A 371 -7.480 18.504 11.694 1.00 30.23 N ATOM 401 CA GLN A 371 -6.115 18.167 11.326 1.00 75.12 C ATOM 402 C GLN A 371 -5.255 17.991 12.579 1.00 73.12 C ATOM 403 O GLN A 371 -4.319 17.193 12.586 1.00 34.34 O ATOM 404 CB GLN A 371 -5.521 19.227 10.397 1.00 43.21 C ATOM 405 CG GLN A 371 -5.671 20.627 10.996 1.00 44.12 C ATOM 406 CD GLN A 371 -6.980 21.279 10.546 1.00 61.41 C ATOM 407 OE1 GLN A 371 -7.971 21.165 11.425 1.00 33.13 O flip ATOM 408 NE2 GLN A 371 -7.083 21.847 9.471 1.00 30.44 N flip ATOM 0 H GLN A 371 -7.920 19.208 11.102 1.00 30.23 H new ATOM 0 HA GLN A 371 -6.128 17.222 10.783 1.00 75.12 H new ATOM 0 HB2 GLN A 371 -4.466 19.013 10.223 1.00 43.21 H new ATOM 0 HB3 GLN A 371 -6.019 19.187 9.428 1.00 43.21 H new ATOM 0 HG2 GLN A 371 -5.647 20.565 12.084 1.00 44.12 H new ATOM 0 HG3 GLN A 371 -4.828 21.248 10.693 1.00 44.12 H new ATOM 0 HE21 GLN A 371 -6.281 21.898 8.842 1.00 30.44 H new ATOM 0 HE22 GLN A 371 -7.971 22.271 9.201 1.00 30.44 H new ATOM 417 N LEU A 372 -5.603 18.749 13.608 1.00 51.41 N ATOM 418 CA LEU A 372 -4.874 18.687 14.864 1.00 55.25 C ATOM 419 C LEU A 372 -5.094 17.317 15.508 1.00 13.34 C ATOM 420 O LEU A 372 -6.202 16.783 15.546 1.00 12.12 O ATOM 421 CB LEU A 372 -5.261 19.861 15.766 1.00 61.11 C ATOM 422 CG LEU A 372 -4.733 19.806 17.201 1.00 63.12 C ATOM 423 CD1 LEU A 372 -5.603 18.897 18.071 1.00 62.32 C ATOM 424 CD2 LEU A 372 -3.261 19.388 17.228 1.00 71.22 C ATOM 0 H LEU A 372 -6.380 19.410 13.598 1.00 51.41 H new ATOM 0 HA LEU A 372 -3.803 18.789 14.689 1.00 55.25 H new ATOM 0 HB2 LEU A 372 -4.905 20.782 15.304 1.00 61.11 H new ATOM 0 HB3 LEU A 372 -6.349 19.923 15.802 1.00 61.11 H new ATOM 0 HG LEU A 372 -4.791 20.809 17.625 1.00 63.12 H new ATOM 0 HD11 LEU A 372 -5.206 18.876 19.086 1.00 62.32 H new ATOM 0 HD12 LEU A 372 -6.624 19.279 18.089 1.00 62.32 H new ATOM 0 HD13 LEU A 372 -5.600 17.888 17.659 1.00 62.32 H new ATOM 0 HD21 LEU A 372 -2.910 19.357 18.260 1.00 71.22 H new ATOM 0 HD22 LEU A 372 -3.155 18.401 16.779 1.00 71.22 H new ATOM 0 HD23 LEU A 372 -2.668 20.109 16.665 1.00 71.22 H new ATOM 436 N CYS A 373 -4.003 16.756 16.020 1.00 72.52 N ATOM 437 CA CYS A 373 -4.047 15.451 16.668 1.00 23.40 C ATOM 438 C CYS A 373 -4.578 15.568 18.094 1.00 70.13 C ATOM 439 O CYS A 373 -4.094 16.410 18.849 1.00 71.41 O ATOM 440 CB CYS A 373 -2.654 14.818 16.682 1.00 71.31 C ATOM 441 SG CYS A 373 -2.649 13.043 17.093 1.00 24.33 S ATOM 0 H CYS A 373 -3.078 17.185 15.998 1.00 72.52 H new ATOM 0 HA CYS A 373 -4.723 14.814 16.098 1.00 23.40 H new ATOM 0 HB2 CYS A 373 -2.194 14.955 15.703 1.00 71.31 H new ATOM 0 HB3 CYS A 373 -2.032 15.349 17.403 1.00 71.31 H new ATOM 0 HG CYS A 373 -1.426 12.602 17.097 1.00 24.33 H new ATOM 446 N LYS A 374 -5.551 14.732 18.426 1.00 3.13 N ATOM 447 CA LYS A 374 -6.134 14.754 19.757 1.00 40.00 C ATOM 448 C LYS A 374 -5.317 13.850 20.682 1.00 31.31 C ATOM 449 O LYS A 374 -5.741 13.551 21.797 1.00 13.45 O ATOM 450 CB LYS A 374 -7.619 14.392 19.697 1.00 32.40 C ATOM 451 CG LYS A 374 -8.290 15.027 18.477 1.00 1.24 C ATOM 452 CD LYS A 374 -7.966 16.520 18.390 1.00 55.13 C ATOM 453 CE LYS A 374 -8.527 17.128 17.102 1.00 22.33 C ATOM 454 NZ LYS A 374 -8.562 16.115 16.024 1.00 74.32 N ATOM 0 H LYS A 374 -5.950 14.036 17.797 1.00 3.13 H new ATOM 0 HA LYS A 374 -6.092 15.760 20.175 1.00 40.00 H new ATOM 0 HB2 LYS A 374 -7.731 13.309 19.655 1.00 32.40 H new ATOM 0 HB3 LYS A 374 -8.116 14.729 20.606 1.00 32.40 H new ATOM 0 HG2 LYS A 374 -7.954 14.525 17.570 1.00 1.24 H new ATOM 0 HG3 LYS A 374 -9.369 14.888 18.537 1.00 1.24 H new ATOM 0 HD2 LYS A 374 -8.384 17.038 19.253 1.00 55.13 H new ATOM 0 HD3 LYS A 374 -6.886 16.664 18.424 1.00 55.13 H new ATOM 0 HE2 LYS A 374 -9.531 17.512 17.281 1.00 22.33 H new ATOM 0 HE3 LYS A 374 -7.913 17.974 16.794 1.00 22.33 H new ATOM 0 HZ1 LYS A 374 -8.881 16.560 15.140 1.00 74.32 H new ATOM 0 HZ2 LYS A 374 -7.610 15.719 15.889 1.00 74.32 H new ATOM 0 HZ3 LYS A 374 -9.220 15.353 16.285 1.00 74.32 H new ATOM 467 N ILE A 375 -4.160 13.439 20.185 1.00 70.44 N ATOM 468 CA ILE A 375 -3.280 12.574 20.953 1.00 41.34 C ATOM 469 C ILE A 375 -2.128 13.404 21.523 1.00 63.03 C ATOM 470 O ILE A 375 -1.723 13.207 22.668 1.00 54.05 O ATOM 471 CB ILE A 375 -2.821 11.387 20.104 1.00 35.51 C ATOM 472 CG1 ILE A 375 -4.012 10.702 19.431 1.00 75.52 C ATOM 473 CG2 ILE A 375 -1.992 10.406 20.936 1.00 43.41 C ATOM 474 CD1 ILE A 375 -3.645 9.289 18.972 1.00 40.02 C ATOM 0 H ILE A 375 -3.811 13.689 19.260 1.00 70.44 H new ATOM 0 HA ILE A 375 -3.813 12.143 21.800 1.00 41.34 H new ATOM 0 HB ILE A 375 -2.175 11.764 19.311 1.00 35.51 H new ATOM 0 HG12 ILE A 375 -4.850 10.656 20.126 1.00 75.52 H new ATOM 0 HG13 ILE A 375 -4.340 11.292 18.575 1.00 75.52 H new ATOM 0 HG21 ILE A 375 -1.678 9.572 20.309 1.00 43.41 H new ATOM 0 HG22 ILE A 375 -1.112 10.915 21.329 1.00 43.41 H new ATOM 0 HG23 ILE A 375 -2.594 10.031 21.764 1.00 43.41 H new ATOM 0 HD11 ILE A 375 -4.509 8.825 18.497 1.00 40.02 H new ATOM 0 HD12 ILE A 375 -2.823 9.340 18.258 1.00 40.02 H new ATOM 0 HD13 ILE A 375 -3.341 8.694 19.833 1.00 40.02 H new ATOM 486 N CYS A 376 -1.632 14.314 20.698 1.00 44.33 N ATOM 487 CA CYS A 376 -0.534 15.175 21.105 1.00 21.34 C ATOM 488 C CYS A 376 -1.072 16.598 21.263 1.00 51.25 C ATOM 489 O CYS A 376 -0.635 17.337 22.144 1.00 53.04 O ATOM 490 CB CYS A 376 0.632 15.111 20.117 1.00 51.24 C ATOM 491 SG CYS A 376 1.361 13.447 19.895 1.00 14.22 S ATOM 0 H CYS A 376 -1.970 14.474 19.749 1.00 44.33 H new ATOM 0 HA CYS A 376 -0.134 14.832 22.059 1.00 21.34 H new ATOM 0 HB2 CYS A 376 0.289 15.474 19.148 1.00 51.24 H new ATOM 0 HB3 CYS A 376 1.413 15.792 20.454 1.00 51.24 H new ATOM 0 HG CYS A 376 0.864 12.894 18.829 1.00 14.22 H new ATOM 496 N ALA A 377 -2.013 16.940 20.394 1.00 2.15 N ATOM 497 CA ALA A 377 -2.615 18.262 20.426 1.00 53.02 C ATOM 498 C ALA A 377 -1.517 19.321 20.316 1.00 4.23 C ATOM 499 O ALA A 377 -1.608 20.382 20.933 1.00 72.24 O ATOM 500 CB ALA A 377 -3.447 18.414 21.701 1.00 2.21 C ATOM 0 H ALA A 377 -2.373 16.325 19.664 1.00 2.15 H new ATOM 0 HA ALA A 377 -3.289 18.397 19.580 1.00 53.02 H new ATOM 0 HB1 ALA A 377 -3.898 19.406 21.725 1.00 2.21 H new ATOM 0 HB2 ALA A 377 -4.232 17.658 21.716 1.00 2.21 H new ATOM 0 HB3 ALA A 377 -2.804 18.287 22.572 1.00 2.21 H new ATOM 506 N GLU A 378 -0.503 18.997 19.527 1.00 22.25 N ATOM 507 CA GLU A 378 0.612 19.907 19.329 1.00 3.13 C ATOM 508 C GLU A 378 0.925 20.047 17.838 1.00 13.21 C ATOM 509 O GLU A 378 1.135 21.154 17.346 1.00 44.53 O ATOM 510 CB GLU A 378 1.845 19.441 20.106 1.00 2.23 C ATOM 511 CG GLU A 378 2.806 20.605 20.360 1.00 74.10 C ATOM 512 CD GLU A 378 2.148 21.679 21.230 1.00 63.44 C ATOM 513 OE1 GLU A 378 2.532 22.856 21.157 1.00 72.41 O ATOM 514 OE2 GLU A 378 1.206 21.254 22.001 1.00 30.33 O ATOM 0 H GLU A 378 -0.430 18.117 19.017 1.00 22.25 H new ATOM 0 HA GLU A 378 0.329 20.886 19.715 1.00 3.13 H new ATOM 0 HB2 GLU A 378 1.537 19.005 21.056 1.00 2.23 H new ATOM 0 HB3 GLU A 378 2.357 18.658 19.547 1.00 2.23 H new ATOM 0 HG2 GLU A 378 3.707 20.237 20.850 1.00 74.10 H new ATOM 0 HG3 GLU A 378 3.115 21.040 19.410 1.00 74.10 H new ATOM 522 N ASN A 379 0.945 18.909 17.161 1.00 73.42 N ATOM 523 CA ASN A 379 1.228 18.890 15.736 1.00 52.43 C ATOM 524 C ASN A 379 -0.021 18.437 14.978 1.00 74.32 C ATOM 525 O ASN A 379 -1.071 18.217 15.580 1.00 54.04 O ATOM 526 CB ASN A 379 2.359 17.913 15.411 1.00 31.43 C ATOM 527 CG ASN A 379 3.548 18.118 16.352 1.00 32.21 C ATOM 528 OD1 ASN A 379 3.822 19.211 16.818 1.00 4.52 O ATOM 529 ND2 ASN A 379 4.236 17.008 16.604 1.00 11.04 N ATOM 0 H ASN A 379 0.770 17.993 17.573 1.00 73.42 H new ATOM 0 HA ASN A 379 1.525 19.896 15.438 1.00 52.43 H new ATOM 0 HB2 ASN A 379 1.995 16.889 15.496 1.00 31.43 H new ATOM 0 HB3 ASN A 379 2.679 18.053 14.379 1.00 31.43 H new ATOM 0 HD21 ASN A 379 5.048 17.040 17.221 1.00 11.04 H new ATOM 0 HD22 ASN A 379 3.952 16.125 16.180 1.00 11.04 H new ATOM 536 N ASP A 380 0.134 18.310 13.668 1.00 33.31 N ATOM 537 CA ASP A 380 -0.969 17.886 12.822 1.00 42.04 C ATOM 538 C ASP A 380 -0.851 16.385 12.551 1.00 23.32 C ATOM 539 O ASP A 380 0.229 15.810 12.680 1.00 2.12 O ATOM 540 CB ASP A 380 -0.940 18.612 11.475 1.00 12.45 C ATOM 541 CG ASP A 380 -0.715 20.123 11.561 1.00 44.34 C ATOM 542 OD1 ASP A 380 0.376 20.625 11.249 1.00 72.20 O ATOM 543 OD2 ASP A 380 -1.730 20.804 11.973 1.00 30.20 O ATOM 0 H ASP A 380 1.006 18.493 13.172 1.00 33.31 H new ATOM 0 HA ASP A 380 -1.900 18.120 13.339 1.00 42.04 H new ATOM 0 HB2 ASP A 380 -0.152 18.177 10.861 1.00 12.45 H new ATOM 0 HB3 ASP A 380 -1.883 18.429 10.960 1.00 12.45 H new ATOM 549 N LYS A 381 -1.977 15.792 12.181 1.00 5.22 N ATOM 550 CA LYS A 381 -2.013 14.369 11.892 1.00 60.24 C ATOM 551 C LYS A 381 -1.042 14.060 10.751 1.00 64.15 C ATOM 552 O LYS A 381 -0.080 13.316 10.934 1.00 64.32 O ATOM 553 CB LYS A 381 -3.448 13.914 11.618 1.00 50.44 C ATOM 554 CG LYS A 381 -4.365 14.254 12.794 1.00 1.25 C ATOM 555 CD LYS A 381 -5.793 14.523 12.317 1.00 74.52 C ATOM 556 CE LYS A 381 -6.813 14.129 13.388 1.00 64.11 C ATOM 557 NZ LYS A 381 -8.191 14.273 12.869 1.00 33.41 N ATOM 0 H LYS A 381 -2.871 16.272 12.075 1.00 5.22 H new ATOM 0 HA LYS A 381 -1.681 13.796 12.758 1.00 60.24 H new ATOM 0 HB2 LYS A 381 -3.819 14.394 10.712 1.00 50.44 H new ATOM 0 HB3 LYS A 381 -3.464 12.839 11.438 1.00 50.44 H new ATOM 0 HG2 LYS A 381 -4.366 13.431 13.509 1.00 1.25 H new ATOM 0 HG3 LYS A 381 -3.982 15.130 13.317 1.00 1.25 H new ATOM 0 HD2 LYS A 381 -5.906 15.579 12.074 1.00 74.52 H new ATOM 0 HD3 LYS A 381 -5.986 13.963 11.402 1.00 74.52 H new ATOM 0 HE2 LYS A 381 -6.642 13.099 13.700 1.00 64.11 H new ATOM 0 HE3 LYS A 381 -6.683 14.756 14.270 1.00 64.11 H new ATOM 0 HZ1 LYS A 381 -8.827 13.639 13.393 1.00 33.41 H new ATOM 0 HZ2 LYS A 381 -8.506 15.257 12.990 1.00 33.41 H new ATOM 0 HZ3 LYS A 381 -8.209 14.025 11.859 1.00 33.41 H new ATOM 570 N ASP A 382 -1.327 14.647 9.598 1.00 51.32 N ATOM 571 CA ASP A 382 -0.491 14.444 8.427 1.00 3.20 C ATOM 572 C ASP A 382 -0.458 12.954 8.081 1.00 54.20 C ATOM 573 O ASP A 382 0.507 12.471 7.492 1.00 61.13 O ATOM 574 CB ASP A 382 0.946 14.900 8.691 1.00 72.43 C ATOM 575 CG ASP A 382 1.814 15.057 7.441 1.00 61.22 C ATOM 576 OD1 ASP A 382 1.770 16.091 6.758 1.00 14.12 O ATOM 577 OD2 ASP A 382 2.571 14.047 7.172 1.00 0.33 O ATOM 0 H ASP A 382 -2.126 15.264 9.450 1.00 51.32 H new ATOM 0 HA ASP A 382 -0.910 15.028 7.608 1.00 3.20 H new ATOM 0 HB2 ASP A 382 0.918 15.854 9.218 1.00 72.43 H new ATOM 0 HB3 ASP A 382 1.423 14.182 9.358 1.00 72.43 H new ATOM 583 N VAL A 383 -1.526 12.268 8.462 1.00 24.40 N ATOM 584 CA VAL A 383 -1.632 10.842 8.199 1.00 4.44 C ATOM 585 C VAL A 383 -3.105 10.432 8.223 1.00 13.15 C ATOM 586 O VAL A 383 -3.972 11.237 8.560 1.00 52.32 O ATOM 587 CB VAL A 383 -0.777 10.061 9.200 1.00 50.14 C ATOM 588 CG1 VAL A 383 -1.586 9.698 10.446 1.00 13.33 C ATOM 589 CG2 VAL A 383 -0.179 8.811 8.551 1.00 52.02 C ATOM 0 H VAL A 383 -2.325 12.673 8.950 1.00 24.40 H new ATOM 0 HA VAL A 383 -1.245 10.606 7.208 1.00 4.44 H new ATOM 0 HB VAL A 383 0.046 10.704 9.511 1.00 50.14 H new ATOM 0 HG11 VAL A 383 -0.955 9.144 11.141 1.00 13.33 H new ATOM 0 HG12 VAL A 383 -1.942 10.609 10.927 1.00 13.33 H new ATOM 0 HG13 VAL A 383 -2.438 9.082 10.160 1.00 13.33 H new ATOM 0 HG21 VAL A 383 0.424 8.274 9.283 1.00 52.02 H new ATOM 0 HG22 VAL A 383 -0.982 8.164 8.198 1.00 52.02 H new ATOM 0 HG23 VAL A 383 0.448 9.103 7.709 1.00 52.02 H new ATOM 599 N LYS A 384 -3.344 9.180 7.862 1.00 22.12 N ATOM 600 CA LYS A 384 -4.698 8.653 7.838 1.00 23.21 C ATOM 601 C LYS A 384 -4.649 7.129 7.965 1.00 74.23 C ATOM 602 O LYS A 384 -3.816 6.476 7.338 1.00 40.40 O ATOM 603 CB LYS A 384 -5.442 9.143 6.594 1.00 5.43 C ATOM 604 CG LYS A 384 -6.788 8.433 6.445 1.00 73.20 C ATOM 605 CD LYS A 384 -7.329 8.576 5.021 1.00 40.31 C ATOM 606 CE LYS A 384 -8.795 8.146 4.945 1.00 32.12 C ATOM 607 NZ LYS A 384 -9.682 9.248 5.380 1.00 0.05 N ATOM 0 H LYS A 384 -2.623 8.515 7.584 1.00 22.12 H new ATOM 0 HA LYS A 384 -5.268 9.026 8.689 1.00 23.21 H new ATOM 0 HB2 LYS A 384 -5.600 10.219 6.661 1.00 5.43 H new ATOM 0 HB3 LYS A 384 -4.833 8.965 5.708 1.00 5.43 H new ATOM 0 HG2 LYS A 384 -6.675 7.377 6.691 1.00 73.20 H new ATOM 0 HG3 LYS A 384 -7.504 8.850 7.153 1.00 73.20 H new ATOM 0 HD2 LYS A 384 -7.233 9.611 4.694 1.00 40.31 H new ATOM 0 HD3 LYS A 384 -6.733 7.970 4.339 1.00 40.31 H new ATOM 0 HE2 LYS A 384 -9.042 7.854 3.924 1.00 32.12 H new ATOM 0 HE3 LYS A 384 -8.957 7.271 5.575 1.00 32.12 H new ATOM 0 HZ1 LYS A 384 -10.673 8.939 5.322 1.00 0.05 H new ATOM 0 HZ2 LYS A 384 -9.457 9.508 6.362 1.00 0.05 H new ATOM 0 HZ3 LYS A 384 -9.540 10.073 4.762 1.00 0.05 H new ATOM 620 N ILE A 385 -5.554 6.606 8.780 1.00 63.24 N ATOM 621 CA ILE A 385 -5.625 5.171 8.996 1.00 23.33 C ATOM 622 C ILE A 385 -6.768 4.589 8.162 1.00 43.22 C ATOM 623 O ILE A 385 -7.878 5.118 8.170 1.00 52.13 O ATOM 624 CB ILE A 385 -5.734 4.859 10.490 1.00 2.33 C ATOM 625 CG1 ILE A 385 -4.565 5.472 11.265 1.00 60.31 C ATOM 626 CG2 ILE A 385 -5.853 3.353 10.729 1.00 31.30 C ATOM 627 CD1 ILE A 385 -3.295 4.635 11.093 1.00 14.24 C ATOM 0 H ILE A 385 -6.244 7.150 9.298 1.00 63.24 H new ATOM 0 HA ILE A 385 -4.707 4.690 8.659 1.00 23.33 H new ATOM 0 HB ILE A 385 -6.647 5.318 10.869 1.00 2.33 H new ATOM 0 HG12 ILE A 385 -4.385 6.489 10.915 1.00 60.31 H new ATOM 0 HG13 ILE A 385 -4.820 5.539 12.323 1.00 60.31 H new ATOM 0 HG21 ILE A 385 -5.929 3.159 11.799 1.00 31.30 H new ATOM 0 HG22 ILE A 385 -6.744 2.974 10.228 1.00 31.30 H new ATOM 0 HG23 ILE A 385 -4.971 2.851 10.331 1.00 31.30 H new ATOM 0 HD11 ILE A 385 -2.479 5.092 11.653 1.00 14.24 H new ATOM 0 HD12 ILE A 385 -3.471 3.626 11.466 1.00 14.24 H new ATOM 0 HD13 ILE A 385 -3.029 4.590 10.037 1.00 14.24 H new ATOM 639 N GLU A 386 -6.456 3.508 7.462 1.00 52.42 N ATOM 640 CA GLU A 386 -7.443 2.849 6.624 1.00 54.33 C ATOM 641 C GLU A 386 -7.338 1.330 6.774 1.00 51.32 C ATOM 642 O GLU A 386 -6.318 0.817 7.231 1.00 43.44 O ATOM 643 CB GLU A 386 -7.287 3.268 5.160 1.00 33.33 C ATOM 644 CG GLU A 386 -8.253 4.401 4.808 1.00 75.51 C ATOM 645 CD GLU A 386 -8.347 4.590 3.293 1.00 44.25 C ATOM 646 OE1 GLU A 386 -7.778 5.550 2.752 1.00 44.13 O ATOM 647 OE2 GLU A 386 -9.039 3.696 2.673 1.00 73.33 O ATOM 0 H GLU A 386 -5.534 3.072 7.458 1.00 52.42 H new ATOM 0 HA GLU A 386 -8.435 3.159 6.953 1.00 54.33 H new ATOM 0 HB2 GLU A 386 -6.262 3.590 4.977 1.00 33.33 H new ATOM 0 HB3 GLU A 386 -7.473 2.412 4.511 1.00 33.33 H new ATOM 0 HG2 GLU A 386 -9.241 4.180 5.213 1.00 75.51 H new ATOM 0 HG3 GLU A 386 -7.917 5.328 5.274 1.00 75.51 H new ATOM 655 N PRO A 387 -8.435 0.635 6.370 1.00 13.43 N ATOM 656 CA PRO A 387 -9.602 1.320 5.841 1.00 12.51 C ATOM 657 C PRO A 387 -10.398 1.994 6.961 1.00 22.32 C ATOM 658 O PRO A 387 -11.378 2.702 6.732 1.00 21.32 O ATOM 659 CB PRO A 387 -10.393 0.246 5.114 1.00 73.52 C ATOM 660 CG PRO A 387 -9.886 -1.082 5.653 1.00 31.02 C ATOM 661 CD PRO A 387 -8.593 -0.816 6.407 1.00 15.51 C ATOM 0 HA PRO A 387 -9.341 2.132 5.162 1.00 12.51 H new ATOM 0 HB2 PRO A 387 -11.462 0.358 5.295 1.00 73.52 H new ATOM 0 HB3 PRO A 387 -10.243 0.313 4.036 1.00 73.52 H new ATOM 0 HG2 PRO A 387 -10.627 -1.534 6.313 1.00 31.02 H new ATOM 0 HG3 PRO A 387 -9.715 -1.785 4.837 1.00 31.02 H new ATOM 0 HD2 PRO A 387 -8.650 -1.182 7.432 1.00 15.51 H new ATOM 0 HD3 PRO A 387 -7.749 -1.319 5.935 1.00 15.51 H new ATOM 669 N CYS A 388 -9.950 1.755 8.190 1.00 0.21 N ATOM 670 CA CYS A 388 -10.599 2.324 9.365 1.00 73.32 C ATOM 671 C CYS A 388 -11.085 3.743 9.085 1.00 4.35 C ATOM 672 O CYS A 388 -12.281 3.940 8.878 1.00 1.41 O ATOM 673 CB CYS A 388 -9.637 2.327 10.554 1.00 13.01 C ATOM 674 SG CYS A 388 -10.334 3.057 12.071 1.00 4.52 S ATOM 0 H CYS A 388 -9.140 1.171 8.397 1.00 0.21 H new ATOM 0 HA CYS A 388 -11.463 1.705 9.607 1.00 73.32 H new ATOM 0 HB2 CYS A 388 -9.332 1.302 10.764 1.00 13.01 H new ATOM 0 HB3 CYS A 388 -8.737 2.877 10.279 1.00 13.01 H new ATOM 0 HG CYS A 388 -9.369 3.482 12.831 1.00 4.52 H new ATOM 679 N GLY A 389 -10.157 4.690 9.087 1.00 73.42 N ATOM 680 CA GLY A 389 -10.504 6.078 8.834 1.00 72.33 C ATOM 681 C GLY A 389 -10.173 6.955 10.043 1.00 62.04 C ATOM 682 O GLY A 389 -10.884 7.916 10.330 1.00 13.23 O ATOM 0 H GLY A 389 -9.166 4.523 9.260 1.00 73.42 H new ATOM 0 HA2 GLY A 389 -9.962 6.438 7.960 1.00 72.33 H new ATOM 0 HA3 GLY A 389 -11.567 6.155 8.605 1.00 72.33 H new ATOM 686 N HIS A 390 -9.092 6.593 10.718 1.00 70.41 N ATOM 687 CA HIS A 390 -8.658 7.335 11.889 1.00 25.31 C ATOM 688 C HIS A 390 -7.384 8.115 11.559 1.00 64.01 C ATOM 689 O HIS A 390 -6.414 7.546 11.059 1.00 34.43 O ATOM 690 CB HIS A 390 -8.487 6.403 13.090 1.00 34.34 C ATOM 691 CG HIS A 390 -9.781 5.811 13.597 1.00 72.34 C ATOM 692 ND1 HIS A 390 -9.826 4.695 14.415 1.00 42.42 N ATOM 693 CD2 HIS A 390 -11.075 6.191 13.393 1.00 51.01 C ATOM 694 CE1 HIS A 390 -11.095 4.425 14.684 1.00 25.03 C ATOM 695 NE2 HIS A 390 -11.867 5.353 14.050 1.00 72.34 N ATOM 0 H HIS A 390 -8.504 5.796 10.476 1.00 70.41 H new ATOM 0 HA HIS A 390 -9.424 8.058 12.170 1.00 25.31 H new ATOM 0 HB2 HIS A 390 -7.812 5.593 12.815 1.00 34.34 H new ATOM 0 HB3 HIS A 390 -8.010 6.955 13.900 1.00 34.34 H new ATOM 0 HD2 HIS A 390 -11.400 7.031 12.798 1.00 51.01 H new ATOM 0 HE1 HIS A 390 -11.455 3.612 15.298 1.00 25.03 H new ATOM 0 HE2 HIS A 390 -12.886 5.396 14.076 1.00 72.34 H new ATOM 703 N LEU A 391 -7.427 9.406 11.851 1.00 5.53 N ATOM 704 CA LEU A 391 -6.288 10.271 11.592 1.00 63.12 C ATOM 705 C LEU A 391 -5.477 10.440 12.878 1.00 32.44 C ATOM 706 O LEU A 391 -5.999 10.246 13.975 1.00 34.31 O ATOM 707 CB LEU A 391 -6.749 11.594 10.977 1.00 4.13 C ATOM 708 CG LEU A 391 -7.944 11.512 10.026 1.00 71.51 C ATOM 709 CD1 LEU A 391 -7.765 10.374 9.018 1.00 13.24 C ATOM 710 CD2 LEU A 391 -9.256 11.388 10.803 1.00 20.44 C ATOM 0 H LEU A 391 -8.233 9.875 12.265 1.00 5.53 H new ATOM 0 HA LEU A 391 -5.625 9.817 10.855 1.00 63.12 H new ATOM 0 HB2 LEU A 391 -7.001 12.280 11.786 1.00 4.13 H new ATOM 0 HB3 LEU A 391 -5.910 12.032 10.437 1.00 4.13 H new ATOM 0 HG LEU A 391 -7.993 12.441 9.458 1.00 71.51 H new ATOM 0 HD11 LEU A 391 -8.628 10.337 8.354 1.00 13.24 H new ATOM 0 HD12 LEU A 391 -6.863 10.546 8.431 1.00 13.24 H new ATOM 0 HD13 LEU A 391 -7.676 9.427 9.550 1.00 13.24 H new ATOM 0 HD21 LEU A 391 -10.090 11.332 10.103 1.00 20.44 H new ATOM 0 HD22 LEU A 391 -9.233 10.485 11.414 1.00 20.44 H new ATOM 0 HD23 LEU A 391 -9.381 12.259 11.447 1.00 20.44 H new ATOM 722 N MET A 392 -4.214 10.799 12.702 1.00 73.14 N ATOM 723 CA MET A 392 -3.327 10.996 13.835 1.00 65.11 C ATOM 724 C MET A 392 -1.970 11.539 13.381 1.00 52.30 C ATOM 725 O MET A 392 -1.720 11.672 12.184 1.00 2.41 O ATOM 726 CB MET A 392 -3.126 9.666 14.564 1.00 62.45 C ATOM 727 CG MET A 392 -2.321 8.687 13.706 1.00 25.02 C ATOM 728 SD MET A 392 -2.329 7.068 14.457 1.00 23.22 S ATOM 729 CE MET A 392 -4.084 6.747 14.483 1.00 74.34 C ATOM 0 H MET A 392 -3.784 10.959 11.791 1.00 73.14 H new ATOM 0 HA MET A 392 -3.783 11.724 14.507 1.00 65.11 H new ATOM 0 HB2 MET A 392 -2.608 9.839 15.508 1.00 62.45 H new ATOM 0 HB3 MET A 392 -4.095 9.230 14.807 1.00 62.45 H new ATOM 0 HG2 MET A 392 -2.746 8.634 12.704 1.00 25.02 H new ATOM 0 HG3 MET A 392 -1.296 9.042 13.599 1.00 25.02 H new ATOM 0 HE1 MET A 392 -4.460 6.862 15.500 1.00 74.34 H new ATOM 0 HE2 MET A 392 -4.593 7.452 13.826 1.00 74.34 H new ATOM 0 HE3 MET A 392 -4.273 5.730 14.139 1.00 74.34 H new ATOM 739 N CYS A 393 -1.131 11.839 14.361 1.00 25.31 N ATOM 740 CA CYS A 393 0.194 12.365 14.077 1.00 30.34 C ATOM 741 C CYS A 393 1.194 11.208 14.141 1.00 12.41 C ATOM 742 O CYS A 393 1.396 10.616 15.200 1.00 70.53 O ATOM 743 CB CYS A 393 0.570 13.497 15.035 1.00 53.52 C ATOM 744 SG CYS A 393 0.824 12.981 16.772 1.00 44.41 S ATOM 0 H CYS A 393 -1.342 11.728 15.353 1.00 25.31 H new ATOM 0 HA CYS A 393 0.208 12.802 13.079 1.00 30.34 H new ATOM 0 HB2 CYS A 393 1.483 13.971 14.674 1.00 53.52 H new ATOM 0 HB3 CYS A 393 -0.214 14.253 15.007 1.00 53.52 H new ATOM 0 HG CYS A 393 2.098 12.921 17.025 1.00 44.41 H new ATOM 749 N THR A 394 1.793 10.922 12.995 1.00 51.55 N ATOM 750 CA THR A 394 2.767 9.848 12.907 1.00 72.33 C ATOM 751 C THR A 394 3.757 9.929 14.070 1.00 43.22 C ATOM 752 O THR A 394 3.866 8.996 14.864 1.00 41.21 O ATOM 753 CB THR A 394 3.435 9.926 11.533 1.00 42.43 C ATOM 754 OG1 THR A 394 2.354 9.801 10.613 1.00 61.20 O ATOM 755 CG2 THR A 394 4.317 8.711 11.240 1.00 72.32 C ATOM 0 H THR A 394 1.623 11.416 12.119 1.00 51.55 H new ATOM 0 HA THR A 394 2.289 8.873 12.996 1.00 72.33 H new ATOM 0 HB THR A 394 4.037 10.833 11.474 1.00 42.43 H new ATOM 0 HG1 THR A 394 2.698 9.843 9.696 1.00 61.20 H new ATOM 0 HG21 THR A 394 4.767 8.817 10.253 1.00 72.32 H new ATOM 0 HG22 THR A 394 5.104 8.643 11.992 1.00 72.32 H new ATOM 0 HG23 THR A 394 3.710 7.806 11.267 1.00 72.32 H new ATOM 763 N SER A 395 4.455 11.054 14.134 1.00 74.05 N ATOM 764 CA SER A 395 5.433 11.270 15.186 1.00 34.43 C ATOM 765 C SER A 395 4.899 10.729 16.515 1.00 43.14 C ATOM 766 O SER A 395 5.673 10.305 17.372 1.00 51.02 O ATOM 767 CB SER A 395 5.781 12.753 15.319 1.00 42.43 C ATOM 768 OG SER A 395 6.063 13.350 14.056 1.00 45.22 O ATOM 0 H SER A 395 4.362 11.826 13.474 1.00 74.05 H new ATOM 0 HA SER A 395 6.344 10.734 14.921 1.00 34.43 H new ATOM 0 HB2 SER A 395 4.952 13.279 15.792 1.00 42.43 H new ATOM 0 HB3 SER A 395 6.645 12.865 15.974 1.00 42.43 H new ATOM 0 HG SER A 395 6.279 14.297 14.183 1.00 45.22 H new ATOM 774 N CYS A 396 3.581 10.762 16.644 1.00 61.24 N ATOM 775 CA CYS A 396 2.935 10.281 17.853 1.00 62.51 C ATOM 776 C CYS A 396 2.735 8.769 17.722 1.00 44.31 C ATOM 777 O CYS A 396 3.156 8.006 18.590 1.00 12.43 O ATOM 778 CB CYS A 396 1.617 11.010 18.119 1.00 73.34 C ATOM 779 SG CYS A 396 1.609 12.778 17.647 1.00 21.11 S ATOM 0 H CYS A 396 2.943 11.115 15.931 1.00 61.24 H new ATOM 0 HA CYS A 396 3.569 10.489 18.715 1.00 62.51 H new ATOM 0 HB2 CYS A 396 0.820 10.500 17.577 1.00 73.34 H new ATOM 0 HB3 CYS A 396 1.382 10.931 19.180 1.00 73.34 H new ATOM 0 HG CYS A 396 0.491 13.062 17.047 1.00 21.11 H new ATOM 784 N LEU A 397 2.094 8.382 16.629 1.00 15.05 N ATOM 785 CA LEU A 397 1.833 6.976 16.374 1.00 72.44 C ATOM 786 C LEU A 397 3.082 6.160 16.712 1.00 2.01 C ATOM 787 O LEU A 397 3.021 5.227 17.511 1.00 21.21 O ATOM 788 CB LEU A 397 1.337 6.775 14.940 1.00 31.22 C ATOM 789 CG LEU A 397 0.833 5.372 14.595 1.00 21.12 C ATOM 790 CD1 LEU A 397 0.463 5.271 13.114 1.00 12.22 C ATOM 791 CD2 LEU A 397 1.853 4.307 15.005 1.00 54.13 C ATOM 0 H LEU A 397 1.748 9.018 15.910 1.00 15.05 H new ATOM 0 HA LEU A 397 1.032 6.614 17.018 1.00 72.44 H new ATOM 0 HB2 LEU A 397 0.532 7.485 14.752 1.00 31.22 H new ATOM 0 HB3 LEU A 397 2.149 7.026 14.257 1.00 31.22 H new ATOM 0 HG LEU A 397 -0.076 5.185 15.167 1.00 21.12 H new ATOM 0 HD11 LEU A 397 0.108 4.264 12.896 1.00 12.22 H new ATOM 0 HD12 LEU A 397 -0.323 5.991 12.886 1.00 12.22 H new ATOM 0 HD13 LEU A 397 1.340 5.487 12.504 1.00 12.22 H new ATOM 0 HD21 LEU A 397 1.470 3.319 14.749 1.00 54.13 H new ATOM 0 HD22 LEU A 397 2.792 4.480 14.479 1.00 54.13 H new ATOM 0 HD23 LEU A 397 2.024 4.362 16.080 1.00 54.13 H new ATOM 803 N THR A 398 4.186 6.542 16.087 1.00 24.23 N ATOM 804 CA THR A 398 5.448 5.857 16.312 1.00 3.52 C ATOM 805 C THR A 398 5.671 5.627 17.808 1.00 34.03 C ATOM 806 O THR A 398 6.182 4.583 18.210 1.00 61.11 O ATOM 807 CB THR A 398 6.557 6.681 15.653 1.00 74.20 C ATOM 808 OG1 THR A 398 6.142 6.796 14.295 1.00 41.15 O ATOM 809 CG2 THR A 398 7.883 5.921 15.575 1.00 54.33 C ATOM 0 H THR A 398 4.233 7.317 15.425 1.00 24.23 H new ATOM 0 HA THR A 398 5.446 4.866 15.859 1.00 3.52 H new ATOM 0 HB THR A 398 6.702 7.607 16.210 1.00 74.20 H new ATOM 0 HG1 THR A 398 6.803 7.318 13.794 1.00 41.15 H new ATOM 0 HG21 THR A 398 8.635 6.550 15.099 1.00 54.33 H new ATOM 0 HG22 THR A 398 8.212 5.659 16.581 1.00 54.33 H new ATOM 0 HG23 THR A 398 7.747 5.012 14.989 1.00 54.33 H new ATOM 817 N ALA A 399 5.275 6.619 18.592 1.00 22.04 N ATOM 818 CA ALA A 399 5.425 6.537 20.035 1.00 12.54 C ATOM 819 C ALA A 399 4.557 5.396 20.570 1.00 4.21 C ATOM 820 O ALA A 399 4.963 4.679 21.483 1.00 30.32 O ATOM 821 CB ALA A 399 5.066 7.886 20.663 1.00 71.10 C ATOM 0 H ALA A 399 4.851 7.483 18.255 1.00 22.04 H new ATOM 0 HA ALA A 399 6.459 6.318 20.301 1.00 12.54 H new ATOM 0 HB1 ALA A 399 5.178 7.825 21.745 1.00 71.10 H new ATOM 0 HB2 ALA A 399 5.730 8.657 20.272 1.00 71.10 H new ATOM 0 HB3 ALA A 399 4.034 8.138 20.419 1.00 71.10 H new ATOM 827 N TRP A 400 3.379 5.264 19.978 1.00 23.25 N ATOM 828 CA TRP A 400 2.451 4.222 20.384 1.00 61.11 C ATOM 829 C TRP A 400 3.104 2.869 20.095 1.00 32.40 C ATOM 830 O TRP A 400 3.098 1.979 20.944 1.00 21.22 O ATOM 831 CB TRP A 400 1.098 4.393 19.691 1.00 40.13 C ATOM 832 CG TRP A 400 0.402 3.074 19.350 1.00 62.14 C ATOM 833 CD1 TRP A 400 0.216 2.528 18.140 1.00 52.20 C ATOM 834 CD2 TRP A 400 -0.196 2.151 20.284 1.00 62.53 C ATOM 835 NE1 TRP A 400 -0.456 1.326 18.226 1.00 70.33 N ATOM 836 CE2 TRP A 400 -0.714 1.089 19.571 1.00 71.22 C ATOM 837 CE3 TRP A 400 -0.295 2.211 21.685 1.00 73.51 C ATOM 838 CZ2 TRP A 400 -1.368 0.007 20.173 1.00 10.21 C ATOM 839 CZ3 TRP A 400 -0.952 1.122 22.272 1.00 62.03 C ATOM 840 CH2 TRP A 400 -1.479 0.046 21.568 1.00 32.51 C ATOM 0 H TRP A 400 3.046 5.861 19.221 1.00 23.25 H new ATOM 0 HA TRP A 400 2.241 4.286 21.452 1.00 61.11 H new ATOM 0 HB2 TRP A 400 0.444 4.981 20.334 1.00 40.13 H new ATOM 0 HB3 TRP A 400 1.241 4.964 18.774 1.00 40.13 H new ATOM 0 HD1 TRP A 400 0.550 2.973 17.214 1.00 52.20 H new ATOM 0 HE1 TRP A 400 -0.716 0.722 17.446 1.00 70.33 H new ATOM 0 HE3 TRP A 400 0.104 3.032 22.263 1.00 73.51 H new ATOM 0 HZ2 TRP A 400 -1.765 -0.813 19.593 1.00 10.21 H new ATOM 0 HZ3 TRP A 400 -1.056 1.118 23.347 1.00 62.03 H new ATOM 0 HH2 TRP A 400 -1.972 -0.757 22.095 1.00 32.51 H new ATOM 851 N GLN A 401 3.651 2.756 18.894 1.00 71.14 N ATOM 852 CA GLN A 401 4.306 1.526 18.482 1.00 4.21 C ATOM 853 C GLN A 401 5.451 1.189 19.440 1.00 62.25 C ATOM 854 O GLN A 401 5.704 0.019 19.723 1.00 34.22 O ATOM 855 CB GLN A 401 4.809 1.629 17.041 1.00 63.42 C ATOM 856 CG GLN A 401 3.645 1.812 16.066 1.00 52.15 C ATOM 857 CD GLN A 401 3.358 0.516 15.305 1.00 54.14 C ATOM 858 OE1 GLN A 401 4.227 -0.311 15.086 1.00 30.51 O ATOM 859 NE2 GLN A 401 2.093 0.387 14.915 1.00 74.33 N ATOM 0 H GLN A 401 3.654 3.496 18.192 1.00 71.14 H new ATOM 0 HA GLN A 401 3.576 0.717 18.520 1.00 4.21 H new ATOM 0 HB2 GLN A 401 5.498 2.469 16.952 1.00 63.42 H new ATOM 0 HB3 GLN A 401 5.367 0.729 16.782 1.00 63.42 H new ATOM 0 HG2 GLN A 401 2.754 2.122 16.612 1.00 52.15 H new ATOM 0 HG3 GLN A 401 3.879 2.608 15.360 1.00 52.15 H new ATOM 0 HE21 GLN A 401 1.415 1.118 15.132 1.00 74.33 H new ATOM 0 HE22 GLN A 401 1.800 -0.443 14.399 1.00 74.33 H new ATOM 868 N GLU A 402 6.113 2.235 19.911 1.00 25.11 N ATOM 869 CA GLU A 402 7.226 2.064 20.831 1.00 55.23 C ATOM 870 C GLU A 402 6.711 1.689 22.222 1.00 61.32 C ATOM 871 O GLU A 402 7.499 1.449 23.135 1.00 23.11 O ATOM 872 CB GLU A 402 8.089 3.326 20.888 1.00 54.25 C ATOM 873 CG GLU A 402 8.935 3.469 19.621 1.00 2.01 C ATOM 874 CD GLU A 402 10.183 4.313 19.888 1.00 0.20 C ATOM 875 OE1 GLU A 402 10.199 5.513 19.575 1.00 75.11 O ATOM 876 OE2 GLU A 402 11.161 3.681 20.443 1.00 72.42 O ATOM 0 H GLU A 402 5.901 3.204 19.673 1.00 25.11 H new ATOM 0 HA GLU A 402 7.853 1.251 20.465 1.00 55.23 H new ATOM 0 HB2 GLU A 402 7.451 4.202 21.005 1.00 54.25 H new ATOM 0 HB3 GLU A 402 8.740 3.287 21.762 1.00 54.25 H new ATOM 0 HG2 GLU A 402 9.229 2.483 19.262 1.00 2.01 H new ATOM 0 HG3 GLU A 402 8.341 3.931 18.833 1.00 2.01 H new ATOM 884 N SER A 403 5.392 1.649 22.339 1.00 10.43 N ATOM 885 CA SER A 403 4.763 1.307 23.604 1.00 41.23 C ATOM 886 C SER A 403 4.024 -0.026 23.476 1.00 33.33 C ATOM 887 O SER A 403 3.789 -0.708 24.473 1.00 10.30 O ATOM 888 CB SER A 403 3.800 2.407 24.055 1.00 22.03 C ATOM 889 OG SER A 403 3.081 2.038 25.229 1.00 71.11 O ATOM 0 H SER A 403 4.741 1.848 21.579 1.00 10.43 H new ATOM 0 HA SER A 403 5.543 1.212 24.360 1.00 41.23 H new ATOM 0 HB2 SER A 403 4.359 3.323 24.245 1.00 22.03 H new ATOM 0 HB3 SER A 403 3.096 2.624 23.252 1.00 22.03 H new ATOM 0 HG SER A 403 2.478 2.767 25.486 1.00 71.11 H new ATOM 895 N ASP A 404 3.677 -0.359 22.241 1.00 2.44 N ATOM 896 CA ASP A 404 2.969 -1.598 21.971 1.00 63.33 C ATOM 897 C ASP A 404 3.134 -1.962 20.494 1.00 73.42 C ATOM 898 O ASP A 404 3.938 -2.827 20.150 1.00 45.43 O ATOM 899 CB ASP A 404 1.474 -1.452 22.258 1.00 74.41 C ATOM 900 CG ASP A 404 0.961 -2.269 23.445 1.00 35.45 C ATOM 901 OD1 ASP A 404 0.886 -1.771 24.579 1.00 60.53 O ATOM 902 OD2 ASP A 404 0.624 -3.483 23.167 1.00 21.34 O ATOM 0 H ASP A 404 3.873 0.208 21.416 1.00 2.44 H new ATOM 0 HA ASP A 404 3.385 -2.372 22.616 1.00 63.33 H new ATOM 0 HB2 ASP A 404 1.255 -0.400 22.439 1.00 74.41 H new ATOM 0 HB3 ASP A 404 0.918 -1.745 21.367 1.00 74.41 H new ATOM 908 N GLY A 405 2.358 -1.285 19.660 1.00 2.33 N ATOM 909 CA GLY A 405 2.408 -1.526 18.228 1.00 32.03 C ATOM 910 C GLY A 405 1.253 -2.425 17.783 1.00 33.55 C ATOM 911 O GLY A 405 1.399 -3.214 16.851 1.00 22.53 O ATOM 0 H GLY A 405 1.691 -0.569 19.949 1.00 2.33 H new ATOM 0 HA2 GLY A 405 2.361 -0.577 17.694 1.00 32.03 H new ATOM 0 HA3 GLY A 405 3.358 -1.992 17.967 1.00 32.03 H new ATOM 915 N GLN A 406 0.130 -2.276 18.471 1.00 21.52 N ATOM 916 CA GLN A 406 -1.049 -3.065 18.159 1.00 73.53 C ATOM 917 C GLN A 406 -1.960 -2.300 17.196 1.00 20.52 C ATOM 918 O GLN A 406 -2.985 -1.757 17.605 1.00 4.24 O ATOM 919 CB GLN A 406 -1.802 -3.455 19.433 1.00 42.14 C ATOM 920 CG GLN A 406 -1.428 -4.870 19.879 1.00 15.00 C ATOM 921 CD GLN A 406 -2.435 -5.407 20.898 1.00 14.23 C ATOM 922 OE1 GLN A 406 -3.582 -4.994 20.954 1.00 50.34 O ATOM 923 NE2 GLN A 406 -1.945 -6.348 21.699 1.00 25.24 N ATOM 0 H GLN A 406 0.012 -1.620 19.243 1.00 21.52 H new ATOM 0 HA GLN A 406 -0.727 -3.985 17.671 1.00 73.53 H new ATOM 0 HB2 GLN A 406 -1.571 -2.746 20.228 1.00 42.14 H new ATOM 0 HB3 GLN A 406 -2.876 -3.397 19.257 1.00 42.14 H new ATOM 0 HG2 GLN A 406 -1.394 -5.531 19.013 1.00 15.00 H new ATOM 0 HG3 GLN A 406 -0.430 -4.865 20.316 1.00 15.00 H new ATOM 0 HE21 GLN A 406 -0.975 -6.649 21.599 1.00 25.24 H new ATOM 0 HE22 GLN A 406 -2.539 -6.770 22.413 1.00 25.24 H new ATOM 932 N GLY A 407 -1.553 -2.283 15.935 1.00 14.23 N ATOM 933 CA GLY A 407 -2.320 -1.593 14.911 1.00 21.43 C ATOM 934 C GLY A 407 -2.782 -0.220 15.403 1.00 22.34 C ATOM 935 O GLY A 407 -2.191 0.344 16.323 1.00 53.52 O ATOM 0 H GLY A 407 -0.703 -2.736 15.599 1.00 14.23 H new ATOM 0 HA2 GLY A 407 -1.712 -1.476 14.014 1.00 21.43 H new ATOM 0 HA3 GLY A 407 -3.186 -2.194 14.634 1.00 21.43 H new ATOM 939 N CYS A 408 -3.833 0.277 14.769 1.00 14.13 N ATOM 940 CA CYS A 408 -4.381 1.573 15.131 1.00 13.41 C ATOM 941 C CYS A 408 -4.729 1.549 16.621 1.00 42.21 C ATOM 942 O CYS A 408 -5.443 0.660 17.081 1.00 21.30 O ATOM 943 CB CYS A 408 -5.592 1.937 14.269 1.00 63.54 C ATOM 944 SG CYS A 408 -5.968 3.726 14.188 1.00 24.31 S ATOM 0 H CYS A 408 -4.320 -0.194 14.007 1.00 14.13 H new ATOM 0 HA CYS A 408 -3.638 2.349 14.944 1.00 13.41 H new ATOM 0 HB2 CYS A 408 -5.423 1.570 13.257 1.00 63.54 H new ATOM 0 HB3 CYS A 408 -6.466 1.414 14.656 1.00 63.54 H new ATOM 0 HG CYS A 408 -7.246 3.894 14.019 1.00 24.31 H new ATOM 949 N PRO A 409 -4.194 2.563 17.352 1.00 4.14 N ATOM 950 CA PRO A 409 -4.440 2.666 18.781 1.00 42.43 C ATOM 951 C PRO A 409 -5.858 3.169 19.058 1.00 71.22 C ATOM 952 O PRO A 409 -6.249 3.331 20.213 1.00 64.51 O ATOM 953 CB PRO A 409 -3.364 3.608 19.298 1.00 34.32 C ATOM 954 CG PRO A 409 -2.847 4.359 18.082 1.00 74.31 C ATOM 955 CD PRO A 409 -3.343 3.634 16.841 1.00 12.12 C ATOM 0 HA PRO A 409 -4.385 1.703 19.288 1.00 42.43 H new ATOM 0 HB2 PRO A 409 -3.771 4.297 20.038 1.00 34.32 H new ATOM 0 HB3 PRO A 409 -2.561 3.054 19.785 1.00 34.32 H new ATOM 0 HG2 PRO A 409 -3.203 5.389 18.090 1.00 74.31 H new ATOM 0 HG3 PRO A 409 -1.758 4.398 18.092 1.00 74.31 H new ATOM 0 HD2 PRO A 409 -3.900 4.305 16.187 1.00 12.12 H new ATOM 0 HD3 PRO A 409 -2.513 3.236 16.257 1.00 12.12 H new ATOM 963 N PHE A 410 -6.591 3.401 17.979 1.00 44.45 N ATOM 964 CA PHE A 410 -7.957 3.882 18.091 1.00 73.01 C ATOM 965 C PHE A 410 -8.952 2.721 18.046 1.00 73.51 C ATOM 966 O PHE A 410 -9.971 2.744 18.735 1.00 52.34 O ATOM 967 CB PHE A 410 -8.208 4.800 16.893 1.00 75.21 C ATOM 968 CG PHE A 410 -7.775 6.250 17.118 1.00 21.22 C ATOM 969 CD1 PHE A 410 -8.367 6.993 18.091 1.00 40.31 C ATOM 970 CD2 PHE A 410 -6.797 6.795 16.346 1.00 52.02 C ATOM 971 CE1 PHE A 410 -7.964 8.339 18.300 1.00 35.11 C ATOM 972 CE2 PHE A 410 -6.395 8.141 16.555 1.00 62.41 C ATOM 973 CZ PHE A 410 -6.987 8.884 17.528 1.00 42.13 C ATOM 0 H PHE A 410 -6.264 3.265 17.022 1.00 44.45 H new ATOM 0 HA PHE A 410 -8.091 4.404 19.038 1.00 73.01 H new ATOM 0 HB2 PHE A 410 -7.678 4.404 16.027 1.00 75.21 H new ATOM 0 HB3 PHE A 410 -9.271 4.782 16.651 1.00 75.21 H new ATOM 0 HD1 PHE A 410 -9.143 6.560 18.705 1.00 40.31 H new ATOM 0 HD2 PHE A 410 -6.326 6.204 15.574 1.00 52.02 H new ATOM 0 HE1 PHE A 410 -8.434 8.929 19.073 1.00 35.11 H new ATOM 0 HE2 PHE A 410 -5.619 8.574 15.941 1.00 62.41 H new ATOM 0 HZ PHE A 410 -6.681 9.907 17.687 1.00 42.13 H new ATOM 983 N CYS A 411 -8.622 1.732 17.228 1.00 20.44 N ATOM 984 CA CYS A 411 -9.474 0.563 17.085 1.00 41.34 C ATOM 985 C CYS A 411 -8.648 -0.679 17.425 1.00 2.52 C ATOM 986 O CYS A 411 -9.071 -1.802 17.159 1.00 33.33 O ATOM 987 CB CYS A 411 -10.083 0.477 15.684 1.00 75.31 C ATOM 988 SG CYS A 411 -9.057 1.202 14.354 1.00 64.20 S ATOM 0 H CYS A 411 -7.777 1.716 16.658 1.00 20.44 H new ATOM 0 HA CYS A 411 -10.316 0.637 17.773 1.00 41.34 H new ATOM 0 HB2 CYS A 411 -10.270 -0.571 15.449 1.00 75.31 H new ATOM 0 HB3 CYS A 411 -11.050 0.980 15.692 1.00 75.31 H new ATOM 0 HG CYS A 411 -9.805 1.924 13.574 1.00 64.20 H new ATOM 993 N ARG A 412 -7.484 -0.434 18.009 1.00 44.14 N ATOM 994 CA ARG A 412 -6.594 -1.518 18.388 1.00 33.44 C ATOM 995 C ARG A 412 -6.619 -2.621 17.328 1.00 45.12 C ATOM 996 O ARG A 412 -6.434 -3.795 17.644 1.00 73.32 O ATOM 997 CB ARG A 412 -6.996 -2.112 19.740 1.00 5.13 C ATOM 998 CG ARG A 412 -5.780 -2.689 20.468 1.00 2.13 C ATOM 999 CD ARG A 412 -4.959 -1.580 21.129 1.00 12.54 C ATOM 1000 NE ARG A 412 -4.282 -2.102 22.337 1.00 63.31 N ATOM 1001 CZ ARG A 412 -3.915 -1.340 23.389 1.00 52.10 C ATOM 1002 NH1 ARG A 412 -4.158 -0.012 23.391 1.00 55.04 N ATOM 1003 NH2 ARG A 412 -3.315 -1.912 24.416 1.00 32.21 N ATOM 0 H ARG A 412 -7.137 0.500 18.229 1.00 44.14 H new ATOM 0 HA ARG A 412 -5.587 -1.108 18.467 1.00 33.44 H new ATOM 0 HB2 ARG A 412 -7.462 -1.342 20.356 1.00 5.13 H new ATOM 0 HB3 ARG A 412 -7.740 -2.894 19.591 1.00 5.13 H new ATOM 0 HG2 ARG A 412 -6.109 -3.402 21.224 1.00 2.13 H new ATOM 0 HG3 ARG A 412 -5.156 -3.237 19.762 1.00 2.13 H new ATOM 0 HD2 ARG A 412 -4.220 -1.195 20.426 1.00 12.54 H new ATOM 0 HD3 ARG A 412 -5.608 -0.747 21.398 1.00 12.54 H new ATOM 0 HE ARG A 412 -4.080 -3.101 22.377 1.00 63.31 H new ATOM 0 HH11 ARG A 412 -4.622 0.423 22.594 1.00 55.04 H new ATOM 0 HH12 ARG A 412 -3.877 0.557 24.190 1.00 55.04 H new ATOM 0 HH21 ARG A 412 -3.135 -2.916 24.407 1.00 32.21 H new ATOM 0 HH22 ARG A 412 -3.031 -1.350 25.219 1.00 32.21 H new ATOM 1016 N CYS A 413 -6.847 -2.203 16.091 1.00 33.53 N ATOM 1017 CA CYS A 413 -6.898 -3.141 14.982 1.00 0.13 C ATOM 1018 C CYS A 413 -5.714 -2.855 14.057 1.00 4.01 C ATOM 1019 O CYS A 413 -5.253 -1.718 13.965 1.00 12.05 O ATOM 1020 CB CYS A 413 -8.233 -3.067 14.239 1.00 15.44 C ATOM 1021 SG CYS A 413 -9.421 -4.255 14.966 1.00 44.21 S ATOM 0 H CYS A 413 -6.998 -1.228 15.833 1.00 33.53 H new ATOM 0 HA CYS A 413 -6.824 -4.160 15.361 1.00 0.13 H new ATOM 0 HB2 CYS A 413 -8.636 -2.056 14.297 1.00 15.44 H new ATOM 0 HB3 CYS A 413 -8.083 -3.290 13.183 1.00 15.44 H new ATOM 0 HG CYS A 413 -9.836 -3.807 16.114 1.00 44.21 H new ATOM 1027 N GLU A 414 -5.254 -3.906 13.394 1.00 30.24 N ATOM 1028 CA GLU A 414 -4.132 -3.782 12.480 1.00 70.35 C ATOM 1029 C GLU A 414 -4.426 -2.719 11.420 1.00 54.05 C ATOM 1030 O GLU A 414 -5.580 -2.514 11.045 1.00 43.24 O ATOM 1031 CB GLU A 414 -3.803 -5.128 11.830 1.00 51.22 C ATOM 1032 CG GLU A 414 -2.476 -5.061 11.072 1.00 43.11 C ATOM 1033 CD GLU A 414 -1.356 -4.537 11.973 1.00 24.21 C ATOM 1034 OE1 GLU A 414 -1.204 -5.008 13.110 1.00 3.33 O ATOM 1035 OE2 GLU A 414 -0.627 -3.608 11.453 1.00 30.23 O ATOM 0 H GLU A 414 -5.638 -4.848 13.472 1.00 30.24 H new ATOM 0 HA GLU A 414 -3.258 -3.467 13.050 1.00 70.35 H new ATOM 0 HB2 GLU A 414 -3.750 -5.902 12.595 1.00 51.22 H new ATOM 0 HB3 GLU A 414 -4.603 -5.411 11.146 1.00 51.22 H new ATOM 0 HG2 GLU A 414 -2.215 -6.052 10.700 1.00 43.11 H new ATOM 0 HG3 GLU A 414 -2.582 -4.412 10.203 1.00 43.11 H new ATOM 1043 N ILE A 415 -3.363 -2.071 10.966 1.00 14.23 N ATOM 1044 CA ILE A 415 -3.493 -1.034 9.957 1.00 54.21 C ATOM 1045 C ILE A 415 -3.156 -1.619 8.584 1.00 22.12 C ATOM 1046 O ILE A 415 -2.183 -2.359 8.443 1.00 52.31 O ATOM 1047 CB ILE A 415 -2.648 0.186 10.330 1.00 55.00 C ATOM 1048 CG1 ILE A 415 -2.565 0.351 11.849 1.00 41.22 C ATOM 1049 CG2 ILE A 415 -3.175 1.448 9.644 1.00 11.32 C ATOM 1050 CD1 ILE A 415 -1.687 1.547 12.223 1.00 42.13 C ATOM 0 H ILE A 415 -2.408 -2.244 11.279 1.00 14.23 H new ATOM 0 HA ILE A 415 -4.522 -0.677 9.908 1.00 54.21 H new ATOM 0 HB ILE A 415 -1.633 0.023 9.968 1.00 55.00 H new ATOM 0 HG12 ILE A 415 -3.566 0.488 12.259 1.00 41.22 H new ATOM 0 HG13 ILE A 415 -2.159 -0.557 12.295 1.00 41.22 H new ATOM 0 HG21 ILE A 415 -2.557 2.300 9.926 1.00 11.32 H new ATOM 0 HG22 ILE A 415 -3.140 1.316 8.563 1.00 11.32 H new ATOM 0 HG23 ILE A 415 -4.204 1.628 9.954 1.00 11.32 H new ATOM 0 HD11 ILE A 415 -1.645 1.642 13.308 1.00 42.13 H new ATOM 0 HD12 ILE A 415 -0.681 1.396 11.832 1.00 42.13 H new ATOM 0 HD13 ILE A 415 -2.109 2.456 11.795 1.00 42.13 H new ATOM 1062 N LYS A 416 -3.978 -1.266 7.607 1.00 12.13 N ATOM 1063 CA LYS A 416 -3.779 -1.747 6.251 1.00 50.03 C ATOM 1064 C LYS A 416 -3.441 -0.565 5.340 1.00 72.24 C ATOM 1065 O LYS A 416 -2.420 -0.577 4.654 1.00 71.51 O ATOM 1066 CB LYS A 416 -4.992 -2.555 5.785 1.00 20.24 C ATOM 1067 CG LYS A 416 -5.561 -3.398 6.929 1.00 41.31 C ATOM 1068 CD LYS A 416 -6.861 -4.087 6.508 1.00 5.11 C ATOM 1069 CE LYS A 416 -7.493 -4.831 7.686 1.00 65.31 C ATOM 1070 NZ LYS A 416 -8.789 -5.424 7.289 1.00 61.54 N ATOM 0 H LYS A 416 -4.784 -0.652 7.728 1.00 12.13 H new ATOM 0 HA LYS A 416 -2.933 -2.434 6.211 1.00 50.03 H new ATOM 0 HB2 LYS A 416 -5.761 -1.880 5.409 1.00 20.24 H new ATOM 0 HB3 LYS A 416 -4.705 -3.204 4.958 1.00 20.24 H new ATOM 0 HG2 LYS A 416 -4.830 -4.147 7.232 1.00 41.31 H new ATOM 0 HG3 LYS A 416 -5.746 -2.764 7.796 1.00 41.31 H new ATOM 0 HD2 LYS A 416 -7.562 -3.346 6.123 1.00 5.11 H new ATOM 0 HD3 LYS A 416 -6.660 -4.787 5.697 1.00 5.11 H new ATOM 0 HE2 LYS A 416 -6.819 -5.614 8.033 1.00 65.31 H new ATOM 0 HE3 LYS A 416 -7.641 -4.145 8.520 1.00 65.31 H new ATOM 0 HZ1 LYS A 416 -9.204 -5.925 8.100 1.00 61.54 H new ATOM 0 HZ2 LYS A 416 -9.435 -4.670 6.980 1.00 61.54 H new ATOM 0 HZ3 LYS A 416 -8.639 -6.094 6.508 1.00 61.54 H new ATOM 1083 N GLY A 417 -4.318 0.428 5.362 1.00 73.52 N ATOM 1084 CA GLY A 417 -4.126 1.615 4.546 1.00 21.42 C ATOM 1085 C GLY A 417 -3.458 2.731 5.352 1.00 62.13 C ATOM 1086 O GLY A 417 -3.922 3.082 6.435 1.00 3.33 O ATOM 0 H GLY A 417 -5.164 0.435 5.932 1.00 73.52 H new ATOM 0 HA2 GLY A 417 -3.512 1.370 3.679 1.00 21.42 H new ATOM 0 HA3 GLY A 417 -5.088 1.960 4.168 1.00 21.42 H new ATOM 1090 N THR A 418 -2.379 3.257 4.791 1.00 1.20 N ATOM 1091 CA THR A 418 -1.642 4.326 5.444 1.00 53.35 C ATOM 1092 C THR A 418 -0.831 5.118 4.417 1.00 44.53 C ATOM 1093 O THR A 418 -0.206 4.537 3.531 1.00 21.53 O ATOM 1094 CB THR A 418 -0.785 3.704 6.547 1.00 5.32 C ATOM 1095 OG1 THR A 418 -0.153 2.596 5.913 1.00 61.33 O ATOM 1096 CG2 THR A 418 -1.627 3.069 7.656 1.00 44.25 C ATOM 0 H THR A 418 -1.997 2.963 3.892 1.00 1.20 H new ATOM 0 HA THR A 418 -2.316 5.048 5.905 1.00 53.35 H new ATOM 0 HB THR A 418 -0.137 4.468 6.976 1.00 5.32 H new ATOM 0 HG1 THR A 418 0.424 2.136 6.558 1.00 61.33 H new ATOM 0 HG21 THR A 418 -0.969 2.642 8.413 1.00 44.25 H new ATOM 0 HG22 THR A 418 -2.261 3.829 8.112 1.00 44.25 H new ATOM 0 HG23 THR A 418 -2.252 2.282 7.233 1.00 44.25 H new ATOM 1104 N GLU A 419 -0.866 6.434 4.569 1.00 11.15 N ATOM 1105 CA GLU A 419 -0.142 7.312 3.667 1.00 44.25 C ATOM 1106 C GLU A 419 -0.191 8.754 4.175 1.00 54.41 C ATOM 1107 O GLU A 419 -1.100 9.124 4.917 1.00 74.24 O ATOM 1108 CB GLU A 419 -0.695 7.213 2.244 1.00 60.14 C ATOM 1109 CG GLU A 419 -2.139 7.715 2.181 1.00 43.45 C ATOM 1110 CD GLU A 419 -2.900 7.053 1.030 1.00 1.41 C ATOM 1111 OE1 GLU A 419 -2.291 6.362 0.200 1.00 4.14 O ATOM 1112 OE2 GLU A 419 -4.170 7.277 1.017 1.00 52.13 O ATOM 0 H GLU A 419 -1.385 6.913 5.305 1.00 11.15 H new ATOM 0 HA GLU A 419 0.900 6.993 3.640 1.00 44.25 H new ATOM 0 HB2 GLU A 419 -0.073 7.798 1.567 1.00 60.14 H new ATOM 0 HB3 GLU A 419 -0.651 6.178 1.904 1.00 60.14 H new ATOM 0 HG2 GLU A 419 -2.643 7.503 3.124 1.00 43.45 H new ATOM 0 HG3 GLU A 419 -2.146 8.797 2.052 1.00 43.45 H new ATOM 1120 N PRO A 420 0.823 9.551 3.744 1.00 23.04 N ATOM 1121 CA PRO A 420 0.904 10.945 4.148 1.00 74.51 C ATOM 1122 C PRO A 420 -0.126 11.793 3.399 1.00 72.54 C ATOM 1123 O PRO A 420 0.069 12.124 2.230 1.00 30.52 O ATOM 1124 CB PRO A 420 2.337 11.356 3.857 1.00 44.54 C ATOM 1125 CG PRO A 420 2.876 10.327 2.876 1.00 11.04 C ATOM 1126 CD PRO A 420 1.917 9.148 2.865 1.00 21.34 C ATOM 0 HA PRO A 420 0.668 11.092 5.202 1.00 74.51 H new ATOM 0 HB2 PRO A 420 2.377 12.359 3.432 1.00 44.54 H new ATOM 0 HB3 PRO A 420 2.931 11.373 4.771 1.00 44.54 H new ATOM 0 HG2 PRO A 420 2.962 10.759 1.879 1.00 11.04 H new ATOM 0 HG3 PRO A 420 3.874 10.004 3.171 1.00 11.04 H new ATOM 0 HD2 PRO A 420 1.558 8.939 1.857 1.00 21.34 H new ATOM 0 HD3 PRO A 420 2.401 8.241 3.226 1.00 21.34 H new ATOM 1134 N ILE A 421 -1.200 12.120 4.102 1.00 11.10 N ATOM 1135 CA ILE A 421 -2.261 12.923 3.518 1.00 1.31 C ATOM 1136 C ILE A 421 -2.163 14.355 4.050 1.00 65.50 C ATOM 1137 O ILE A 421 -1.623 14.583 5.131 1.00 24.03 O ATOM 1138 CB ILE A 421 -3.623 12.270 3.760 1.00 61.31 C ATOM 1139 CG1 ILE A 421 -4.156 12.612 5.153 1.00 63.41 C ATOM 1140 CG2 ILE A 421 -3.555 10.759 3.527 1.00 31.01 C ATOM 1141 CD1 ILE A 421 -4.716 14.035 5.191 1.00 32.33 C ATOM 0 H ILE A 421 -1.359 11.843 5.071 1.00 11.10 H new ATOM 0 HA ILE A 421 -2.146 12.975 2.435 1.00 1.31 H new ATOM 0 HB ILE A 421 -4.330 12.676 3.037 1.00 61.31 H new ATOM 0 HG12 ILE A 421 -4.935 11.903 5.432 1.00 63.41 H new ATOM 0 HG13 ILE A 421 -3.356 12.512 5.887 1.00 63.41 H new ATOM 0 HG21 ILE A 421 -4.536 10.319 3.706 1.00 31.01 H new ATOM 0 HG22 ILE A 421 -3.251 10.563 2.499 1.00 31.01 H new ATOM 0 HG23 ILE A 421 -2.829 10.318 4.210 1.00 31.01 H new ATOM 0 HD11 ILE A 421 -5.088 14.253 6.192 1.00 32.33 H new ATOM 0 HD12 ILE A 421 -3.928 14.743 4.935 1.00 32.33 H new ATOM 0 HD13 ILE A 421 -5.531 14.124 4.473 1.00 32.33 H new ATOM 1153 N ILE A 422 -2.693 15.281 3.265 1.00 3.13 N ATOM 1154 CA ILE A 422 -2.671 16.684 3.644 1.00 75.12 C ATOM 1155 C ILE A 422 -4.084 17.124 4.033 1.00 30.04 C ATOM 1156 O ILE A 422 -4.956 17.254 3.176 1.00 51.41 O ATOM 1157 CB ILE A 422 -2.049 17.530 2.531 1.00 22.42 C ATOM 1158 CG1 ILE A 422 -0.542 17.283 2.433 1.00 2.33 C ATOM 1159 CG2 ILE A 422 -2.376 19.012 2.721 1.00 51.11 C ATOM 1160 CD1 ILE A 422 0.110 18.255 1.447 1.00 74.42 C ATOM 0 H ILE A 422 -3.140 15.088 2.369 1.00 3.13 H new ATOM 0 HA ILE A 422 -2.037 16.833 4.518 1.00 75.12 H new ATOM 0 HB ILE A 422 -2.488 17.223 1.582 1.00 22.42 H new ATOM 0 HG12 ILE A 422 -0.086 17.397 3.417 1.00 2.33 H new ATOM 0 HG13 ILE A 422 -0.358 16.257 2.114 1.00 2.33 H new ATOM 0 HG21 ILE A 422 -1.922 19.591 1.917 1.00 51.11 H new ATOM 0 HG22 ILE A 422 -3.457 19.151 2.703 1.00 51.11 H new ATOM 0 HG23 ILE A 422 -1.982 19.352 3.679 1.00 51.11 H new ATOM 0 HD11 ILE A 422 1.181 18.058 1.396 1.00 74.42 H new ATOM 0 HD12 ILE A 422 -0.331 18.121 0.459 1.00 74.42 H new ATOM 0 HD13 ILE A 422 -0.055 19.279 1.782 1.00 74.42 H new ATOM 1172 N VAL A 423 -4.266 17.341 5.328 1.00 61.32 N ATOM 1173 CA VAL A 423 -5.558 17.763 5.842 1.00 43.45 C ATOM 1174 C VAL A 423 -5.762 19.249 5.536 1.00 71.40 C ATOM 1175 O VAL A 423 -4.806 20.022 5.530 1.00 3.12 O ATOM 1176 CB VAL A 423 -5.659 17.441 7.334 1.00 65.43 C ATOM 1177 CG1 VAL A 423 -7.090 17.629 7.840 1.00 41.11 C ATOM 1178 CG2 VAL A 423 -5.156 16.025 7.624 1.00 72.24 C ATOM 0 H VAL A 423 -3.540 17.232 6.036 1.00 61.32 H new ATOM 0 HA VAL A 423 -6.362 17.215 5.350 1.00 43.45 H new ATOM 0 HB VAL A 423 -5.019 18.141 7.872 1.00 65.43 H new ATOM 0 HG11 VAL A 423 -7.134 17.393 8.903 1.00 41.11 H new ATOM 0 HG12 VAL A 423 -7.398 18.663 7.684 1.00 41.11 H new ATOM 0 HG13 VAL A 423 -7.759 16.965 7.293 1.00 41.11 H new ATOM 0 HG21 VAL A 423 -5.238 15.821 8.692 1.00 72.24 H new ATOM 0 HG22 VAL A 423 -5.757 15.305 7.069 1.00 72.24 H new ATOM 0 HG23 VAL A 423 -4.113 15.939 7.318 1.00 72.24 H new ATOM 1188 N ASP A 424 -7.015 19.602 5.289 1.00 2.34 N ATOM 1189 CA ASP A 424 -7.357 20.981 4.984 1.00 41.03 C ATOM 1190 C ASP A 424 -8.491 21.437 5.904 1.00 23.24 C ATOM 1191 O ASP A 424 -9.521 20.772 6.002 1.00 1.04 O ATOM 1192 CB ASP A 424 -7.836 21.122 3.538 1.00 75.12 C ATOM 1193 CG ASP A 424 -7.547 22.477 2.890 1.00 42.24 C ATOM 1194 OD1 ASP A 424 -6.677 22.593 2.013 1.00 12.33 O ATOM 1195 OD2 ASP A 424 -8.267 23.455 3.325 1.00 72.21 O ATOM 0 H ASP A 424 -7.805 18.957 5.294 1.00 2.34 H new ATOM 0 HA ASP A 424 -6.465 21.590 5.130 1.00 41.03 H new ATOM 0 HB2 ASP A 424 -7.367 20.342 2.938 1.00 75.12 H new ATOM 0 HB3 ASP A 424 -8.911 20.944 3.508 1.00 75.12 H new ATOM 1201 N PRO A 425 -8.256 22.598 6.573 1.00 35.43 N ATOM 1202 CA PRO A 425 -9.246 23.150 7.483 1.00 41.03 C ATOM 1203 C PRO A 425 -10.404 23.787 6.712 1.00 42.41 C ATOM 1204 O PRO A 425 -10.407 23.794 5.482 1.00 65.42 O ATOM 1205 CB PRO A 425 -8.481 24.147 8.338 1.00 51.35 C ATOM 1206 CG PRO A 425 -7.204 24.457 7.574 1.00 3.32 C ATOM 1207 CD PRO A 425 -7.048 23.412 6.482 1.00 71.21 C ATOM 0 HA PRO A 425 -9.716 22.389 8.106 1.00 41.03 H new ATOM 0 HB2 PRO A 425 -9.067 25.051 8.502 1.00 51.35 H new ATOM 0 HB3 PRO A 425 -8.257 23.729 9.320 1.00 51.35 H new ATOM 0 HG2 PRO A 425 -7.251 25.457 7.142 1.00 3.32 H new ATOM 0 HG3 PRO A 425 -6.345 24.440 8.244 1.00 3.32 H new ATOM 0 HD2 PRO A 425 -6.956 23.876 5.500 1.00 71.21 H new ATOM 0 HD3 PRO A 425 -6.152 22.810 6.635 1.00 71.21 H new ATOM 1215 N PHE A 426 -11.360 24.308 7.467 1.00 4.31 N ATOM 1216 CA PHE A 426 -12.520 24.947 6.870 1.00 34.13 C ATOM 1217 C PHE A 426 -12.436 26.469 6.999 1.00 44.21 C ATOM 1218 O PHE A 426 -12.285 27.172 6.001 1.00 3.41 O ATOM 1219 CB PHE A 426 -13.748 24.450 7.637 1.00 63.12 C ATOM 1220 CG PHE A 426 -15.051 25.151 7.247 1.00 3.03 C ATOM 1221 CD1 PHE A 426 -15.640 24.876 6.053 1.00 41.32 C ATOM 1222 CD2 PHE A 426 -15.620 26.049 8.096 1.00 64.03 C ATOM 1223 CE1 PHE A 426 -16.849 25.527 5.691 1.00 32.13 C ATOM 1224 CE2 PHE A 426 -16.829 26.700 7.734 1.00 22.42 C ATOM 1225 CZ PHE A 426 -17.418 26.425 6.540 1.00 72.13 C ATOM 0 H PHE A 426 -11.355 24.301 8.487 1.00 4.31 H new ATOM 0 HA PHE A 426 -12.575 24.702 5.809 1.00 34.13 H new ATOM 0 HB2 PHE A 426 -13.859 23.379 7.469 1.00 63.12 H new ATOM 0 HB3 PHE A 426 -13.578 24.589 8.705 1.00 63.12 H new ATOM 0 HD1 PHE A 426 -15.188 24.162 5.380 1.00 41.32 H new ATOM 0 HD2 PHE A 426 -15.152 26.267 9.045 1.00 64.03 H new ATOM 0 HE1 PHE A 426 -17.317 25.309 4.742 1.00 32.13 H new ATOM 0 HE2 PHE A 426 -17.281 27.414 8.407 1.00 22.42 H new ATOM 0 HZ PHE A 426 -18.338 26.920 6.265 1.00 72.13 H new