USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 418 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 463 GLN : amide:sc= -0.409 K(o=-0.74,f=-1.4) USER MOD Set 1.2: A 467 GLN : amide:sc= -0.331 X(o=-0.74,f=-0.58) USER MOD Set 2.1: A 442 HIS :FLIP no HE2:sc= -0.0427 F(o=-2.2,f=-0.88) USER MOD Set 2.2: A 445 GLN : amide:sc= -0.841 X(o=-0.88,f=-1) USER MOD Single : A 404 SER OG : rot 28:sc= 0.111 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 419 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot -28:sc= 0.0545 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -13.727 5.409 18.886 1.00 23.41 N ATOM 11 CA SER A 404 -14.662 4.987 17.870 1.00 1.21 C ATOM 12 C SER A 404 -15.960 5.798 17.936 1.00 4.31 C ATOM 13 O SER A 404 -16.794 5.719 17.036 1.00 3.40 O ATOM 14 CB SER A 404 -14.950 3.493 18.020 1.00 40.11 C ATOM 15 OG SER A 404 -13.736 2.737 17.958 1.00 75.43 O ATOM 0 HA SER A 404 -14.213 5.167 16.893 1.00 1.21 H new ATOM 0 HB2 SER A 404 -15.452 3.308 18.970 1.00 40.11 H new ATOM 0 HB3 SER A 404 -15.628 3.167 17.232 1.00 40.11 H new ATOM 0 HG SER A 404 -12.990 3.290 18.271 1.00 75.43 H new ATOM 21 N LYS A 405 -16.117 6.595 18.988 1.00 41.53 N ATOM 22 CA LYS A 405 -17.332 7.393 19.181 1.00 31.13 C ATOM 23 C LYS A 405 -17.489 8.493 18.134 1.00 34.12 C ATOM 24 O LYS A 405 -18.603 8.919 17.846 1.00 24.44 O ATOM 25 CB LYS A 405 -17.375 8.022 20.579 1.00 61.02 C ATOM 26 CG LYS A 405 -17.422 7.040 21.729 1.00 73.44 C ATOM 27 CD LYS A 405 -17.487 7.775 23.056 1.00 33.31 C ATOM 28 CE LYS A 405 -17.576 6.812 24.227 1.00 34.14 C ATOM 29 NZ LYS A 405 -17.683 7.528 25.517 1.00 42.12 N ATOM 0 H LYS A 405 -15.419 6.708 19.723 1.00 41.53 H new ATOM 0 HA LYS A 405 -18.162 6.695 19.069 1.00 31.13 H new ATOM 0 HB2 LYS A 405 -16.497 8.657 20.701 1.00 61.02 H new ATOM 0 HB3 LYS A 405 -18.249 8.671 20.641 1.00 61.02 H new ATOM 0 HG2 LYS A 405 -18.291 6.390 21.624 1.00 73.44 H new ATOM 0 HG3 LYS A 405 -16.540 6.400 21.704 1.00 73.44 H new ATOM 0 HD2 LYS A 405 -16.603 8.403 23.168 1.00 33.31 H new ATOM 0 HD3 LYS A 405 -18.352 8.438 23.063 1.00 33.31 H new ATOM 0 HE2 LYS A 405 -18.442 6.162 24.099 1.00 34.14 H new ATOM 0 HE3 LYS A 405 -16.695 6.171 24.239 1.00 34.14 H new ATOM 0 HZ1 LYS A 405 -17.742 6.838 26.293 1.00 42.12 H new ATOM 0 HZ2 LYS A 405 -16.845 8.129 25.651 1.00 42.12 H new ATOM 0 HZ3 LYS A 405 -18.538 8.121 25.515 1.00 42.12 H new ATOM 43 N ILE A 406 -16.390 8.915 17.538 1.00 71.51 N ATOM 44 CA ILE A 406 -16.414 10.049 16.614 1.00 0.42 C ATOM 45 C ILE A 406 -16.782 9.618 15.181 1.00 63.32 C ATOM 46 O ILE A 406 -17.278 10.423 14.393 1.00 72.12 O ATOM 47 CB ILE A 406 -15.049 10.813 16.615 1.00 42.31 C ATOM 48 CG1 ILE A 406 -15.084 12.024 15.653 1.00 21.35 C ATOM 49 CG2 ILE A 406 -13.898 9.868 16.273 1.00 33.42 C ATOM 50 CD1 ILE A 406 -13.803 12.824 15.597 1.00 11.54 C ATOM 0 H ILE A 406 -15.470 8.496 17.672 1.00 71.51 H new ATOM 0 HA ILE A 406 -17.191 10.726 16.970 1.00 0.42 H new ATOM 0 HB ILE A 406 -14.880 11.198 17.621 1.00 42.31 H new ATOM 0 HG12 ILE A 406 -15.317 11.667 14.650 1.00 21.35 H new ATOM 0 HG13 ILE A 406 -15.897 12.686 15.953 1.00 21.35 H new ATOM 0 HG21 ILE A 406 -12.959 10.421 16.280 1.00 33.42 H new ATOM 0 HG22 ILE A 406 -13.853 9.067 17.011 1.00 33.42 H new ATOM 0 HG23 ILE A 406 -14.060 9.440 15.284 1.00 33.42 H new ATOM 0 HD11 ILE A 406 -13.921 13.652 14.898 1.00 11.54 H new ATOM 0 HD12 ILE A 406 -13.575 13.216 16.588 1.00 11.54 H new ATOM 0 HD13 ILE A 406 -12.987 12.182 15.265 1.00 11.54 H new ATOM 62 N GLU A 407 -16.606 8.345 14.876 1.00 32.01 N ATOM 63 CA GLU A 407 -16.877 7.834 13.532 1.00 63.00 C ATOM 64 C GLU A 407 -18.339 8.075 13.103 1.00 33.43 C ATOM 65 O GLU A 407 -18.573 8.694 12.066 1.00 3.13 O ATOM 66 CB GLU A 407 -16.469 6.362 13.398 1.00 43.13 C ATOM 67 CG GLU A 407 -14.978 6.127 13.520 1.00 34.13 C ATOM 68 CD GLU A 407 -14.204 6.787 12.407 1.00 11.11 C ATOM 69 OE1 GLU A 407 -13.720 7.923 12.588 1.00 45.42 O ATOM 70 OE2 GLU A 407 -14.079 6.176 11.310 1.00 24.43 O ATOM 0 H GLU A 407 -16.277 7.641 15.537 1.00 32.01 H new ATOM 0 HA GLU A 407 -16.256 8.403 12.840 1.00 63.00 H new ATOM 0 HB2 GLU A 407 -16.983 5.781 14.164 1.00 43.13 H new ATOM 0 HB3 GLU A 407 -16.809 5.987 12.432 1.00 43.13 H new ATOM 0 HG2 GLU A 407 -14.629 6.509 14.479 1.00 34.13 H new ATOM 0 HG3 GLU A 407 -14.779 5.055 13.513 1.00 34.13 H new ATOM 77 N PRO A 408 -19.354 7.632 13.908 1.00 74.32 N ATOM 78 CA PRO A 408 -20.770 7.887 13.594 1.00 1.11 C ATOM 79 C PRO A 408 -21.136 9.385 13.665 1.00 14.24 C ATOM 80 O PRO A 408 -22.228 9.784 13.308 1.00 60.03 O ATOM 81 CB PRO A 408 -21.523 7.110 14.685 1.00 24.24 C ATOM 82 CG PRO A 408 -20.545 6.989 15.794 1.00 62.34 C ATOM 83 CD PRO A 408 -19.223 6.819 15.140 1.00 73.51 C ATOM 0 HA PRO A 408 -21.016 7.581 12.577 1.00 1.11 H new ATOM 0 HB2 PRO A 408 -22.421 7.641 15.003 1.00 24.24 H new ATOM 0 HB3 PRO A 408 -21.841 6.131 14.327 1.00 24.24 H new ATOM 0 HG2 PRO A 408 -20.558 7.876 16.428 1.00 62.34 H new ATOM 0 HG3 PRO A 408 -20.779 6.137 16.433 1.00 62.34 H new ATOM 0 HD2 PRO A 408 -18.410 7.174 15.774 1.00 73.51 H new ATOM 0 HD3 PRO A 408 -19.016 5.773 14.913 1.00 73.51 H new ATOM 91 N VAL A 409 -20.213 10.195 14.135 1.00 31.20 N ATOM 92 CA VAL A 409 -20.429 11.621 14.248 1.00 74.14 C ATOM 93 C VAL A 409 -20.044 12.317 12.944 1.00 25.25 C ATOM 94 O VAL A 409 -20.730 13.236 12.487 1.00 11.32 O ATOM 95 CB VAL A 409 -19.610 12.220 15.428 1.00 22.43 C ATOM 96 CG1 VAL A 409 -19.777 13.717 15.518 1.00 43.23 C ATOM 97 CG2 VAL A 409 -20.025 11.582 16.731 1.00 61.30 C ATOM 0 H VAL A 409 -19.293 9.885 14.449 1.00 31.20 H new ATOM 0 HA VAL A 409 -21.488 11.787 14.446 1.00 74.14 H new ATOM 0 HB VAL A 409 -18.558 12.007 15.238 1.00 22.43 H new ATOM 0 HG11 VAL A 409 -19.190 14.099 16.354 1.00 43.23 H new ATOM 0 HG12 VAL A 409 -19.433 14.178 14.592 1.00 43.23 H new ATOM 0 HG13 VAL A 409 -20.829 13.957 15.673 1.00 43.23 H new ATOM 0 HG21 VAL A 409 -19.444 12.011 17.547 1.00 61.30 H new ATOM 0 HG22 VAL A 409 -21.085 11.766 16.905 1.00 61.30 H new ATOM 0 HG23 VAL A 409 -19.846 10.508 16.683 1.00 61.30 H new ATOM 107 N VAL A 410 -18.972 11.838 12.336 1.00 12.34 N ATOM 108 CA VAL A 410 -18.428 12.432 11.124 1.00 70.05 C ATOM 109 C VAL A 410 -19.384 12.304 9.941 1.00 43.01 C ATOM 110 O VAL A 410 -19.564 13.251 9.203 1.00 12.44 O ATOM 111 CB VAL A 410 -17.041 11.828 10.760 1.00 23.20 C ATOM 112 CG1 VAL A 410 -16.480 12.443 9.477 1.00 55.34 C ATOM 113 CG2 VAL A 410 -16.067 12.038 11.903 1.00 64.22 C ATOM 0 H VAL A 410 -18.453 11.025 12.668 1.00 12.34 H new ATOM 0 HA VAL A 410 -18.297 13.493 11.336 1.00 70.05 H new ATOM 0 HB VAL A 410 -17.176 10.760 10.589 1.00 23.20 H new ATOM 0 HG11 VAL A 410 -15.511 11.997 9.254 1.00 55.34 H new ATOM 0 HG12 VAL A 410 -17.166 12.252 8.652 1.00 55.34 H new ATOM 0 HG13 VAL A 410 -16.363 13.519 9.610 1.00 55.34 H new ATOM 0 HG21 VAL A 410 -15.099 11.612 11.639 1.00 64.22 H new ATOM 0 HG22 VAL A 410 -15.954 13.105 12.093 1.00 64.22 H new ATOM 0 HG23 VAL A 410 -16.447 11.548 12.799 1.00 64.22 H new ATOM 123 N LEU A 411 -20.016 11.140 9.787 1.00 71.14 N ATOM 124 CA LEU A 411 -20.938 10.921 8.654 1.00 13.34 C ATOM 125 C LEU A 411 -22.041 11.990 8.504 1.00 4.54 C ATOM 126 O LEU A 411 -22.104 12.647 7.460 1.00 4.03 O ATOM 127 CB LEU A 411 -21.524 9.496 8.578 1.00 12.12 C ATOM 128 CG LEU A 411 -20.593 8.374 8.092 1.00 60.01 C ATOM 129 CD1 LEU A 411 -19.439 8.124 9.043 1.00 41.12 C ATOM 130 CD2 LEU A 411 -21.382 7.114 7.854 1.00 41.31 C ATOM 0 H LEU A 411 -19.915 10.343 10.416 1.00 71.14 H new ATOM 0 HA LEU A 411 -20.283 11.036 7.790 1.00 13.34 H new ATOM 0 HB2 LEU A 411 -21.886 9.227 9.570 1.00 12.12 H new ATOM 0 HB3 LEU A 411 -22.392 9.523 7.919 1.00 12.12 H new ATOM 0 HG LEU A 411 -20.151 8.700 7.150 1.00 60.01 H new ATOM 0 HD11 LEU A 411 -18.813 7.322 8.652 1.00 41.12 H new ATOM 0 HD12 LEU A 411 -18.845 9.033 9.142 1.00 41.12 H new ATOM 0 HD13 LEU A 411 -19.828 7.837 10.020 1.00 41.12 H new ATOM 0 HD21 LEU A 411 -20.713 6.325 7.510 1.00 41.31 H new ATOM 0 HD22 LEU A 411 -21.861 6.804 8.783 1.00 41.31 H new ATOM 0 HD23 LEU A 411 -22.144 7.299 7.097 1.00 41.31 H new ATOM 142 N PRO A 412 -22.917 12.213 9.524 1.00 32.40 N ATOM 143 CA PRO A 412 -23.991 13.200 9.410 1.00 21.23 C ATOM 144 C PRO A 412 -23.453 14.629 9.283 1.00 43.12 C ATOM 145 O PRO A 412 -24.020 15.460 8.572 1.00 62.10 O ATOM 146 CB PRO A 412 -24.782 13.047 10.719 1.00 13.43 C ATOM 147 CG PRO A 412 -24.368 11.728 11.264 1.00 51.42 C ATOM 148 CD PRO A 412 -22.956 11.536 10.830 1.00 42.24 C ATOM 0 HA PRO A 412 -24.593 13.033 8.517 1.00 21.23 H new ATOM 0 HB2 PRO A 412 -24.552 13.853 11.416 1.00 13.43 H new ATOM 0 HB3 PRO A 412 -25.856 13.080 10.538 1.00 13.43 H new ATOM 0 HG2 PRO A 412 -24.449 11.711 12.351 1.00 51.42 H new ATOM 0 HG3 PRO A 412 -25.006 10.930 10.884 1.00 51.42 H new ATOM 0 HD2 PRO A 412 -22.253 11.979 11.535 1.00 42.24 H new ATOM 0 HD3 PRO A 412 -22.700 10.480 10.745 1.00 42.24 H new ATOM 156 N LEU A 413 -22.338 14.900 9.950 1.00 61.43 N ATOM 157 CA LEU A 413 -21.761 16.230 9.938 1.00 15.03 C ATOM 158 C LEU A 413 -21.074 16.545 8.631 1.00 23.04 C ATOM 159 O LEU A 413 -21.050 17.703 8.207 1.00 45.52 O ATOM 160 CB LEU A 413 -20.794 16.435 11.088 1.00 3.11 C ATOM 161 CG LEU A 413 -21.384 16.330 12.489 1.00 73.45 C ATOM 162 CD1 LEU A 413 -20.339 16.689 13.507 1.00 2.15 C ATOM 163 CD2 LEU A 413 -22.600 17.226 12.637 1.00 20.44 C ATOM 0 H LEU A 413 -21.820 14.217 10.503 1.00 61.43 H new ATOM 0 HA LEU A 413 -22.597 16.920 10.057 1.00 15.03 H new ATOM 0 HB2 LEU A 413 -19.993 15.701 10.997 1.00 3.11 H new ATOM 0 HB3 LEU A 413 -20.338 17.419 10.981 1.00 3.11 H new ATOM 0 HG LEU A 413 -21.706 15.302 12.654 1.00 73.45 H new ATOM 0 HD11 LEU A 413 -20.764 16.613 14.508 1.00 2.15 H new ATOM 0 HD12 LEU A 413 -19.495 16.005 13.419 1.00 2.15 H new ATOM 0 HD13 LEU A 413 -19.998 17.710 13.334 1.00 2.15 H new ATOM 0 HD21 LEU A 413 -23.001 17.131 13.646 1.00 20.44 H new ATOM 0 HD22 LEU A 413 -22.313 18.262 12.456 1.00 20.44 H new ATOM 0 HD23 LEU A 413 -23.361 16.929 11.915 1.00 20.44 H new ATOM 175 N LEU A 414 -20.548 15.511 7.978 1.00 73.41 N ATOM 176 CA LEU A 414 -19.811 15.656 6.735 1.00 12.33 C ATOM 177 C LEU A 414 -20.636 16.360 5.669 1.00 44.34 C ATOM 178 O LEU A 414 -20.092 17.085 4.854 1.00 43.41 O ATOM 179 CB LEU A 414 -19.310 14.298 6.226 1.00 32.43 C ATOM 180 CG LEU A 414 -18.466 14.335 4.948 1.00 44.32 C ATOM 181 CD1 LEU A 414 -17.216 15.183 5.146 1.00 45.14 C ATOM 182 CD2 LEU A 414 -18.100 12.932 4.498 1.00 43.10 C ATOM 0 H LEU A 414 -20.624 14.547 8.302 1.00 73.41 H new ATOM 0 HA LEU A 414 -18.944 16.282 6.947 1.00 12.33 H new ATOM 0 HB2 LEU A 414 -18.720 13.831 7.015 1.00 32.43 H new ATOM 0 HB3 LEU A 414 -20.173 13.656 6.050 1.00 32.43 H new ATOM 0 HG LEU A 414 -19.066 14.795 4.163 1.00 44.32 H new ATOM 0 HD11 LEU A 414 -16.634 15.193 4.225 1.00 45.14 H new ATOM 0 HD12 LEU A 414 -17.505 16.202 5.404 1.00 45.14 H new ATOM 0 HD13 LEU A 414 -16.614 14.761 5.951 1.00 45.14 H new ATOM 0 HD21 LEU A 414 -17.501 12.986 3.589 1.00 43.10 H new ATOM 0 HD22 LEU A 414 -17.527 12.437 5.281 1.00 43.10 H new ATOM 0 HD23 LEU A 414 -19.009 12.365 4.300 1.00 43.10 H new ATOM 194 N TRP A 415 -21.946 16.169 5.706 1.00 4.52 N ATOM 195 CA TRP A 415 -22.845 16.828 4.770 1.00 41.05 C ATOM 196 C TRP A 415 -22.724 18.346 4.879 1.00 2.05 C ATOM 197 O TRP A 415 -22.632 19.052 3.871 1.00 55.54 O ATOM 198 CB TRP A 415 -24.292 16.398 5.015 1.00 41.31 C ATOM 199 CG TRP A 415 -24.539 14.949 4.742 1.00 15.15 C ATOM 200 CD1 TRP A 415 -24.426 13.911 5.618 1.00 32.15 C ATOM 201 CD2 TRP A 415 -24.947 14.382 3.499 1.00 12.51 C ATOM 202 NE1 TRP A 415 -24.736 12.732 4.992 1.00 52.24 N ATOM 203 CE2 TRP A 415 -25.062 12.994 3.689 1.00 15.12 C ATOM 204 CE3 TRP A 415 -25.230 14.917 2.239 1.00 32.12 C ATOM 205 CZ2 TRP A 415 -25.447 12.136 2.669 1.00 65.52 C ATOM 206 CZ3 TRP A 415 -25.609 14.063 1.228 1.00 71.01 C ATOM 207 CH2 TRP A 415 -25.715 12.689 1.447 1.00 13.22 C ATOM 0 H TRP A 415 -22.412 15.560 6.378 1.00 4.52 H new ATOM 0 HA TRP A 415 -22.558 16.528 3.762 1.00 41.05 H new ATOM 0 HB2 TRP A 415 -24.557 16.615 6.050 1.00 41.31 H new ATOM 0 HB3 TRP A 415 -24.952 16.996 4.386 1.00 41.31 H new ATOM 0 HD1 TRP A 415 -24.135 14.004 6.654 1.00 32.15 H new ATOM 0 HE1 TRP A 415 -24.725 11.809 5.427 1.00 52.24 H new ATOM 0 HE3 TRP A 415 -25.153 15.980 2.062 1.00 32.12 H new ATOM 0 HZ2 TRP A 415 -25.532 11.072 2.834 1.00 65.52 H new ATOM 0 HZ3 TRP A 415 -25.828 14.463 0.249 1.00 71.01 H new ATOM 0 HH2 TRP A 415 -26.016 12.047 0.632 1.00 13.22 H new ATOM 218 N PHE A 416 -22.695 18.837 6.097 1.00 44.54 N ATOM 219 CA PHE A 416 -22.565 20.265 6.348 1.00 34.51 C ATOM 220 C PHE A 416 -21.134 20.717 6.078 1.00 44.51 C ATOM 221 O PHE A 416 -20.877 21.865 5.706 1.00 71.23 O ATOM 222 CB PHE A 416 -22.962 20.597 7.788 1.00 71.10 C ATOM 223 CG PHE A 416 -24.358 20.171 8.162 1.00 35.33 C ATOM 224 CD1 PHE A 416 -24.579 18.953 8.786 1.00 70.31 C ATOM 225 CD2 PHE A 416 -25.442 20.985 7.894 1.00 51.15 C ATOM 226 CE1 PHE A 416 -25.854 18.557 9.135 1.00 43.11 C ATOM 227 CE2 PHE A 416 -26.722 20.595 8.240 1.00 42.13 C ATOM 228 CZ PHE A 416 -26.928 19.379 8.862 1.00 34.05 C ATOM 0 H PHE A 416 -22.760 18.267 6.940 1.00 44.54 H new ATOM 0 HA PHE A 416 -23.237 20.797 5.674 1.00 34.51 H new ATOM 0 HB2 PHE A 416 -22.255 20.119 8.466 1.00 71.10 H new ATOM 0 HB3 PHE A 416 -22.871 21.673 7.939 1.00 71.10 H new ATOM 0 HD1 PHE A 416 -23.742 18.305 9.002 1.00 70.31 H new ATOM 0 HD2 PHE A 416 -25.287 21.937 7.408 1.00 51.15 H new ATOM 0 HE1 PHE A 416 -26.011 17.605 9.621 1.00 43.11 H new ATOM 0 HE2 PHE A 416 -27.561 21.241 8.024 1.00 42.13 H new ATOM 0 HZ PHE A 416 -27.927 19.072 9.134 1.00 34.05 H new ATOM 238 N GLU A 417 -20.215 19.800 6.261 1.00 52.43 N ATOM 239 CA GLU A 417 -18.805 20.039 6.051 1.00 11.44 C ATOM 240 C GLU A 417 -18.465 20.177 4.588 1.00 10.22 C ATOM 241 O GLU A 417 -17.467 20.823 4.233 1.00 43.02 O ATOM 242 CB GLU A 417 -17.972 18.953 6.687 1.00 64.34 C ATOM 243 CG GLU A 417 -18.020 18.966 8.203 1.00 52.24 C ATOM 244 CD GLU A 417 -17.147 17.914 8.852 1.00 44.33 C ATOM 245 OE1 GLU A 417 -15.907 17.951 8.659 1.00 54.24 O ATOM 246 OE2 GLU A 417 -17.667 17.095 9.632 1.00 33.20 O ATOM 0 H GLU A 417 -20.428 18.850 6.565 1.00 52.43 H new ATOM 0 HA GLU A 417 -18.568 20.987 6.533 1.00 11.44 H new ATOM 0 HB2 GLU A 417 -18.318 17.983 6.328 1.00 64.34 H new ATOM 0 HB3 GLU A 417 -16.937 19.062 6.363 1.00 64.34 H new ATOM 0 HG2 GLU A 417 -17.712 19.949 8.558 1.00 52.24 H new ATOM 0 HG3 GLU A 417 -19.051 18.819 8.526 1.00 52.24 H new ATOM 253 N GLN A 418 -19.283 19.567 3.740 1.00 60.04 N ATOM 254 CA GLN A 418 -19.086 19.635 2.301 1.00 32.40 C ATOM 255 C GLN A 418 -19.059 21.093 1.841 1.00 60.54 C ATOM 256 O GLN A 418 -18.280 21.467 0.957 1.00 33.21 O ATOM 257 CB GLN A 418 -20.204 18.925 1.534 1.00 33.12 C ATOM 258 CG GLN A 418 -20.443 17.477 1.873 1.00 15.41 C ATOM 259 CD GLN A 418 -21.540 16.870 1.017 1.00 21.33 C ATOM 260 OE1 GLN A 418 -22.469 17.565 0.589 1.00 31.11 O ATOM 261 NE2 GLN A 418 -21.446 15.600 0.748 1.00 34.44 N ATOM 0 H GLN A 418 -20.093 19.017 4.028 1.00 60.04 H new ATOM 0 HA GLN A 418 -18.138 19.140 2.091 1.00 32.40 H new ATOM 0 HB2 GLN A 418 -21.132 19.471 1.702 1.00 33.12 H new ATOM 0 HB3 GLN A 418 -19.982 18.993 0.469 1.00 33.12 H new ATOM 0 HG2 GLN A 418 -19.520 16.914 1.734 1.00 15.41 H new ATOM 0 HG3 GLN A 418 -20.713 17.390 2.925 1.00 15.41 H new ATOM 0 HE21 GLN A 418 -20.666 15.057 1.118 1.00 34.44 H new ATOM 0 HE22 GLN A 418 -22.152 15.148 0.167 1.00 34.44 H new ATOM 270 N SER A 419 -19.918 21.898 2.438 1.00 25.03 N ATOM 271 CA SER A 419 -20.020 23.291 2.120 1.00 41.45 C ATOM 272 C SER A 419 -19.254 24.157 3.106 1.00 43.43 C ATOM 273 O SER A 419 -18.902 25.315 2.803 1.00 21.21 O ATOM 274 CB SER A 419 -21.493 23.678 2.072 1.00 70.21 C ATOM 275 OG SER A 419 -22.176 23.228 3.237 1.00 51.44 O ATOM 0 H SER A 419 -20.566 21.590 3.163 1.00 25.03 H new ATOM 0 HA SER A 419 -19.565 23.464 1.145 1.00 41.45 H new ATOM 0 HB2 SER A 419 -21.586 24.761 1.987 1.00 70.21 H new ATOM 0 HB3 SER A 419 -21.957 23.248 1.185 1.00 70.21 H new ATOM 0 HG SER A 419 -23.119 23.489 3.185 1.00 51.44 H new ATOM 281 N GLY A 420 -18.962 23.597 4.270 1.00 41.14 N ATOM 282 CA GLY A 420 -18.355 24.375 5.313 1.00 23.30 C ATOM 283 C GLY A 420 -19.394 25.312 5.854 1.00 73.31 C ATOM 284 O GLY A 420 -19.138 26.485 6.112 1.00 71.24 O ATOM 0 H GLY A 420 -19.136 22.620 4.504 1.00 41.14 H new ATOM 0 HA2 GLY A 420 -17.978 23.726 6.103 1.00 23.30 H new ATOM 0 HA3 GLY A 420 -17.503 24.933 4.926 1.00 23.30 H new ATOM 288 N ALA A 421 -20.582 24.767 6.014 1.00 21.24 N ATOM 289 CA ALA A 421 -21.765 25.502 6.403 1.00 53.13 C ATOM 290 C ALA A 421 -21.641 26.185 7.777 1.00 11.34 C ATOM 291 O ALA A 421 -22.320 27.177 8.048 1.00 43.30 O ATOM 292 CB ALA A 421 -22.966 24.586 6.323 1.00 0.34 C ATOM 0 H ALA A 421 -20.755 23.772 5.873 1.00 21.24 H new ATOM 0 HA ALA A 421 -21.894 26.326 5.701 1.00 53.13 H new ATOM 0 HB1 ALA A 421 -23.862 25.134 6.615 1.00 0.34 H new ATOM 0 HB2 ALA A 421 -23.080 24.223 5.301 1.00 0.34 H new ATOM 0 HB3 ALA A 421 -22.823 23.740 6.995 1.00 0.34 H new ATOM 535 N MET A 437 -13.243 13.909 -7.924 1.00 2.12 N ATOM 536 CA MET A 437 -12.236 14.310 -8.899 1.00 51.41 C ATOM 537 C MET A 437 -11.533 13.087 -9.487 1.00 23.03 C ATOM 538 O MET A 437 -11.248 12.116 -8.767 1.00 33.31 O ATOM 539 CB MET A 437 -11.205 15.263 -8.278 1.00 31.42 C ATOM 540 CG MET A 437 -11.793 16.559 -7.756 1.00 65.12 C ATOM 541 SD MET A 437 -12.624 17.509 -9.038 1.00 40.34 S ATOM 542 CE MET A 437 -13.213 18.901 -8.076 1.00 10.14 C ATOM 0 HA MET A 437 -12.750 14.840 -9.701 1.00 51.41 H new ATOM 0 HB2 MET A 437 -10.700 14.750 -7.459 1.00 31.42 H new ATOM 0 HB3 MET A 437 -10.446 15.496 -9.025 1.00 31.42 H new ATOM 0 HG2 MET A 437 -12.501 16.337 -6.958 1.00 65.12 H new ATOM 0 HG3 MET A 437 -10.999 17.164 -7.318 1.00 65.12 H new ATOM 0 HE1 MET A 437 -13.753 19.590 -8.726 1.00 10.14 H new ATOM 0 HE2 MET A 437 -13.879 18.545 -7.291 1.00 10.14 H new ATOM 0 HE3 MET A 437 -12.365 19.417 -7.626 1.00 10.14 H new ATOM 552 N PRO A 438 -11.249 13.106 -10.803 1.00 34.01 N ATOM 553 CA PRO A 438 -10.587 11.998 -11.502 1.00 51.44 C ATOM 554 C PRO A 438 -9.210 11.637 -10.920 1.00 24.33 C ATOM 555 O PRO A 438 -8.770 10.498 -11.031 1.00 73.02 O ATOM 556 CB PRO A 438 -10.458 12.473 -12.954 1.00 63.32 C ATOM 557 CG PRO A 438 -10.706 13.941 -12.921 1.00 2.01 C ATOM 558 CD PRO A 438 -11.583 14.206 -11.730 1.00 50.11 C ATOM 0 HA PRO A 438 -11.170 11.083 -11.400 1.00 51.44 H new ATOM 0 HB2 PRO A 438 -9.467 12.252 -13.352 1.00 63.32 H new ATOM 0 HB3 PRO A 438 -11.179 11.968 -13.597 1.00 63.32 H new ATOM 0 HG2 PRO A 438 -9.768 14.490 -12.840 1.00 2.01 H new ATOM 0 HG3 PRO A 438 -11.191 14.272 -13.839 1.00 2.01 H new ATOM 0 HD2 PRO A 438 -11.375 15.180 -11.288 1.00 50.11 H new ATOM 0 HD3 PRO A 438 -12.639 14.197 -11.999 1.00 50.11 H new ATOM 566 N GLN A 439 -8.535 12.606 -10.312 1.00 50.22 N ATOM 567 CA GLN A 439 -7.207 12.380 -9.723 1.00 10.54 C ATOM 568 C GLN A 439 -7.193 11.256 -8.677 1.00 4.52 C ATOM 569 O GLN A 439 -6.306 10.407 -8.695 1.00 41.02 O ATOM 570 CB GLN A 439 -6.615 13.676 -9.170 1.00 40.22 C ATOM 571 CG GLN A 439 -7.451 14.372 -8.116 1.00 74.32 C ATOM 572 CD GLN A 439 -6.886 15.725 -7.760 1.00 1.32 C ATOM 573 OE1 GLN A 439 -6.065 15.854 -6.861 1.00 72.42 O ATOM 574 NE2 GLN A 439 -7.316 16.734 -8.461 1.00 65.21 N ATOM 0 H GLN A 439 -8.881 13.560 -10.211 1.00 50.22 H new ATOM 0 HA GLN A 439 -6.566 12.039 -10.536 1.00 10.54 H new ATOM 0 HB2 GLN A 439 -5.635 13.457 -8.746 1.00 40.22 H new ATOM 0 HB3 GLN A 439 -6.457 14.366 -9.999 1.00 40.22 H new ATOM 0 HG2 GLN A 439 -8.472 14.488 -8.479 1.00 74.32 H new ATOM 0 HG3 GLN A 439 -7.500 13.751 -7.221 1.00 74.32 H new ATOM 0 HE21 GLN A 439 -8.001 16.585 -9.202 1.00 65.21 H new ATOM 0 HE22 GLN A 439 -6.968 17.673 -8.269 1.00 65.21 H new ATOM 583 N VAL A 440 -8.184 11.228 -7.795 1.00 14.31 N ATOM 584 CA VAL A 440 -8.246 10.173 -6.785 1.00 53.22 C ATOM 585 C VAL A 440 -8.709 8.868 -7.445 1.00 61.25 C ATOM 586 O VAL A 440 -8.321 7.764 -7.047 1.00 53.21 O ATOM 587 CB VAL A 440 -9.156 10.547 -5.573 1.00 41.33 C ATOM 588 CG1 VAL A 440 -10.608 10.700 -5.977 1.00 4.13 C ATOM 589 CG2 VAL A 440 -9.004 9.546 -4.431 1.00 20.44 C ATOM 0 H VAL A 440 -8.943 11.908 -7.755 1.00 14.31 H new ATOM 0 HA VAL A 440 -7.245 10.042 -6.375 1.00 53.22 H new ATOM 0 HB VAL A 440 -8.818 11.519 -5.212 1.00 41.33 H new ATOM 0 HG11 VAL A 440 -11.204 10.960 -5.102 1.00 4.13 H new ATOM 0 HG12 VAL A 440 -10.697 11.489 -6.724 1.00 4.13 H new ATOM 0 HG13 VAL A 440 -10.970 9.761 -6.396 1.00 4.13 H new ATOM 0 HG21 VAL A 440 -9.652 9.837 -3.604 1.00 20.44 H new ATOM 0 HG22 VAL A 440 -9.284 8.552 -4.779 1.00 20.44 H new ATOM 0 HG23 VAL A 440 -7.968 9.534 -4.094 1.00 20.44 H new ATOM 599 N LEU A 441 -9.515 9.023 -8.486 1.00 32.14 N ATOM 600 CA LEU A 441 -10.042 7.912 -9.252 1.00 14.31 C ATOM 601 C LEU A 441 -8.911 7.162 -9.951 1.00 23.12 C ATOM 602 O LEU A 441 -8.978 5.955 -10.133 1.00 50.11 O ATOM 603 CB LEU A 441 -11.060 8.416 -10.279 1.00 75.15 C ATOM 604 CG LEU A 441 -11.732 7.363 -11.156 1.00 63.11 C ATOM 605 CD1 LEU A 441 -12.518 6.381 -10.308 1.00 10.12 C ATOM 606 CD2 LEU A 441 -12.637 8.031 -12.177 1.00 31.42 C ATOM 0 H LEU A 441 -9.822 9.935 -8.823 1.00 32.14 H new ATOM 0 HA LEU A 441 -10.542 7.224 -8.570 1.00 14.31 H new ATOM 0 HB2 LEU A 441 -11.839 8.961 -9.746 1.00 75.15 H new ATOM 0 HB3 LEU A 441 -10.559 9.132 -10.931 1.00 75.15 H new ATOM 0 HG LEU A 441 -10.958 6.809 -11.686 1.00 63.11 H new ATOM 0 HD11 LEU A 441 -12.989 5.639 -10.953 1.00 10.12 H new ATOM 0 HD12 LEU A 441 -11.845 5.881 -9.612 1.00 10.12 H new ATOM 0 HD13 LEU A 441 -13.286 6.916 -9.749 1.00 10.12 H new ATOM 0 HD21 LEU A 441 -13.111 7.270 -12.797 1.00 31.42 H new ATOM 0 HD22 LEU A 441 -13.404 8.608 -11.661 1.00 31.42 H new ATOM 0 HD23 LEU A 441 -12.046 8.696 -12.807 1.00 31.42 H new ATOM 618 N HIS A 442 -7.861 7.886 -10.323 1.00 73.01 N ATOM 619 CA HIS A 442 -6.708 7.269 -10.972 1.00 45.42 C ATOM 620 C HIS A 442 -6.043 6.265 -10.044 1.00 43.15 C ATOM 621 O HIS A 442 -5.585 5.222 -10.484 1.00 61.33 O ATOM 622 CB HIS A 442 -5.693 8.304 -11.486 1.00 13.41 C ATOM 623 CG HIS A 442 -6.239 9.224 -12.545 1.00 4.52 C ATOM 624 ND1 HIS A 442 -7.146 9.008 -13.525 1.00 1.13 N flip ATOM 625 CD2 HIS A 442 -5.839 10.532 -12.692 1.00 64.41 C flip ATOM 626 CE1 HIS A 442 -7.277 10.173 -14.226 1.00 12.12 C flip ATOM 627 NE2 HIS A 442 -6.480 11.075 -13.703 1.00 21.02 N flip ATOM 0 H HIS A 442 -7.783 8.894 -10.188 1.00 73.01 H new ATOM 0 HA HIS A 442 -7.082 6.740 -11.848 1.00 45.42 H new ATOM 0 HB2 HIS A 442 -5.342 8.902 -10.645 1.00 13.41 H new ATOM 0 HB3 HIS A 442 -4.826 7.779 -11.887 1.00 13.41 H new ATOM 0 HD1 HIS A 442 -7.641 8.135 -13.707 1.00 1.13 H new ATOM 0 HD2 HIS A 442 -5.111 11.035 -12.073 1.00 64.41 H new ATOM 0 HE1 HIS A 442 -7.930 10.327 -15.072 1.00 12.12 H new ATOM 636 N TYR A 443 -6.043 6.562 -8.748 1.00 73.44 N ATOM 637 CA TYR A 443 -5.508 5.638 -7.760 1.00 2.23 C ATOM 638 C TYR A 443 -6.371 4.407 -7.656 1.00 32.52 C ATOM 639 O TYR A 443 -5.873 3.313 -7.477 1.00 71.00 O ATOM 640 CB TYR A 443 -5.325 6.292 -6.397 1.00 55.41 C ATOM 641 CG TYR A 443 -4.223 7.311 -6.365 1.00 72.31 C ATOM 642 CD1 TYR A 443 -2.908 6.907 -6.236 1.00 24.43 C ATOM 643 CD2 TYR A 443 -4.485 8.669 -6.447 1.00 54.22 C ATOM 644 CE1 TYR A 443 -1.881 7.817 -6.190 1.00 22.20 C ATOM 645 CE2 TYR A 443 -3.459 9.595 -6.405 1.00 1.41 C ATOM 646 CZ TYR A 443 -2.156 9.159 -6.277 1.00 62.31 C ATOM 647 OH TYR A 443 -1.121 10.077 -6.223 1.00 64.03 O ATOM 0 H TYR A 443 -6.407 7.433 -8.361 1.00 73.44 H new ATOM 0 HA TYR A 443 -4.518 5.339 -8.104 1.00 2.23 H new ATOM 0 HB2 TYR A 443 -6.260 6.770 -6.104 1.00 55.41 H new ATOM 0 HB3 TYR A 443 -5.116 5.519 -5.657 1.00 55.41 H new ATOM 0 HD1 TYR A 443 -2.683 5.853 -6.170 1.00 24.43 H new ATOM 0 HD2 TYR A 443 -5.505 9.009 -6.545 1.00 54.22 H new ATOM 0 HE1 TYR A 443 -0.861 7.478 -6.086 1.00 22.20 H new ATOM 0 HE2 TYR A 443 -3.676 10.651 -6.472 1.00 1.41 H new ATOM 0 HH TYR A 443 -1.484 10.984 -6.299 1.00 64.03 H new ATOM 657 N ALA A 444 -7.665 4.593 -7.814 1.00 12.42 N ATOM 658 CA ALA A 444 -8.625 3.489 -7.800 1.00 63.14 C ATOM 659 C ALA A 444 -8.397 2.593 -9.007 1.00 74.23 C ATOM 660 O ALA A 444 -8.592 1.381 -8.944 1.00 34.43 O ATOM 661 CB ALA A 444 -10.056 4.003 -7.761 1.00 12.14 C ATOM 0 H ALA A 444 -8.089 5.510 -7.956 1.00 12.42 H new ATOM 0 HA ALA A 444 -8.468 2.903 -6.894 1.00 63.14 H new ATOM 0 HB1 ALA A 444 -10.746 3.159 -7.751 1.00 12.14 H new ATOM 0 HB2 ALA A 444 -10.203 4.602 -6.862 1.00 12.14 H new ATOM 0 HB3 ALA A 444 -10.246 4.617 -8.641 1.00 12.14 H new ATOM 667 N GLN A 445 -7.983 3.206 -10.101 1.00 53.50 N ATOM 668 CA GLN A 445 -7.618 2.488 -11.309 1.00 33.11 C ATOM 669 C GLN A 445 -6.399 1.614 -11.031 1.00 21.23 C ATOM 670 O GLN A 445 -6.306 0.500 -11.517 1.00 71.14 O ATOM 671 CB GLN A 445 -7.349 3.474 -12.436 1.00 3.13 C ATOM 672 CG GLN A 445 -8.574 4.283 -12.813 1.00 64.14 C ATOM 673 CD GLN A 445 -8.300 5.383 -13.811 1.00 23.41 C ATOM 674 OE1 GLN A 445 -8.977 6.408 -13.812 1.00 72.00 O ATOM 675 NE2 GLN A 445 -7.316 5.207 -14.645 1.00 33.10 N ATOM 0 H GLN A 445 -7.890 4.219 -10.177 1.00 53.50 H new ATOM 0 HA GLN A 445 -8.439 1.842 -11.619 1.00 33.11 H new ATOM 0 HB2 GLN A 445 -6.550 4.152 -12.137 1.00 3.13 H new ATOM 0 HB3 GLN A 445 -6.995 2.930 -13.312 1.00 3.13 H new ATOM 0 HG2 GLN A 445 -9.327 3.612 -13.225 1.00 64.14 H new ATOM 0 HG3 GLN A 445 -8.998 4.723 -11.910 1.00 64.14 H new ATOM 0 HE21 GLN A 445 -6.773 4.344 -14.618 1.00 33.10 H new ATOM 0 HE22 GLN A 445 -7.088 5.932 -15.325 1.00 33.10 H new ATOM 684 N TYR A 446 -5.479 2.127 -10.232 1.00 42.42 N ATOM 685 CA TYR A 446 -4.335 1.342 -9.793 1.00 43.54 C ATOM 686 C TYR A 446 -4.768 0.242 -8.828 1.00 71.40 C ATOM 687 O TYR A 446 -4.294 -0.896 -8.914 1.00 1.40 O ATOM 688 CB TYR A 446 -3.254 2.227 -9.171 1.00 64.02 C ATOM 689 CG TYR A 446 -2.506 3.073 -10.174 1.00 14.42 C ATOM 690 CD1 TYR A 446 -1.576 2.495 -11.023 1.00 53.03 C ATOM 691 CD2 TYR A 446 -2.716 4.435 -10.268 1.00 44.22 C ATOM 692 CE1 TYR A 446 -0.879 3.253 -11.934 1.00 31.11 C ATOM 693 CE2 TYR A 446 -2.023 5.201 -11.179 1.00 45.32 C ATOM 694 CZ TYR A 446 -1.106 4.603 -12.008 1.00 74.34 C ATOM 695 OH TYR A 446 -0.405 5.367 -12.921 1.00 51.41 O ATOM 0 H TYR A 446 -5.500 3.082 -9.874 1.00 42.42 H new ATOM 0 HA TYR A 446 -3.902 0.868 -10.673 1.00 43.54 H new ATOM 0 HB2 TYR A 446 -3.715 2.881 -8.430 1.00 64.02 H new ATOM 0 HB3 TYR A 446 -2.542 1.595 -8.640 1.00 64.02 H new ATOM 0 HD1 TYR A 446 -1.396 1.432 -10.968 1.00 53.03 H new ATOM 0 HD2 TYR A 446 -3.436 4.907 -9.616 1.00 44.22 H new ATOM 0 HE1 TYR A 446 -0.156 2.787 -12.588 1.00 31.11 H new ATOM 0 HE2 TYR A 446 -2.200 6.265 -11.241 1.00 45.32 H new ATOM 0 HH TYR A 446 -0.684 6.304 -12.846 1.00 51.41 H new ATOM 705 N VAL A 447 -5.697 0.582 -7.930 1.00 52.51 N ATOM 706 CA VAL A 447 -6.260 -0.373 -6.973 1.00 43.22 C ATOM 707 C VAL A 447 -6.906 -1.547 -7.709 1.00 21.44 C ATOM 708 O VAL A 447 -6.866 -2.671 -7.238 1.00 73.13 O ATOM 709 CB VAL A 447 -7.306 0.297 -6.013 1.00 25.34 C ATOM 710 CG1 VAL A 447 -7.949 -0.729 -5.087 1.00 42.22 C ATOM 711 CG2 VAL A 447 -6.647 1.390 -5.182 1.00 52.25 C ATOM 0 H VAL A 447 -6.079 1.524 -7.846 1.00 52.51 H new ATOM 0 HA VAL A 447 -5.435 -0.737 -6.360 1.00 43.22 H new ATOM 0 HB VAL A 447 -8.085 0.737 -6.636 1.00 25.34 H new ATOM 0 HG11 VAL A 447 -8.668 -0.231 -4.436 1.00 42.22 H new ATOM 0 HG12 VAL A 447 -8.461 -1.485 -5.682 1.00 42.22 H new ATOM 0 HG13 VAL A 447 -7.179 -1.205 -4.480 1.00 42.22 H new ATOM 0 HG21 VAL A 447 -7.388 1.843 -4.523 1.00 52.25 H new ATOM 0 HG22 VAL A 447 -5.845 0.958 -4.584 1.00 52.25 H new ATOM 0 HG23 VAL A 447 -6.236 2.152 -5.844 1.00 52.25 H new ATOM 721 N LEU A 448 -7.466 -1.266 -8.882 1.00 61.21 N ATOM 722 CA LEU A 448 -8.083 -2.263 -9.723 1.00 25.51 C ATOM 723 C LEU A 448 -7.096 -3.400 -10.074 1.00 41.53 C ATOM 724 O LEU A 448 -7.484 -4.574 -10.152 1.00 71.30 O ATOM 725 CB LEU A 448 -8.616 -1.597 -10.991 1.00 45.10 C ATOM 726 CG LEU A 448 -9.228 -2.520 -12.024 1.00 31.32 C ATOM 727 CD1 LEU A 448 -10.462 -3.230 -11.475 1.00 52.35 C ATOM 728 CD2 LEU A 448 -9.539 -1.777 -13.309 1.00 4.42 C ATOM 0 H LEU A 448 -7.500 -0.324 -9.272 1.00 61.21 H new ATOM 0 HA LEU A 448 -8.911 -2.715 -9.176 1.00 25.51 H new ATOM 0 HB2 LEU A 448 -9.366 -0.861 -10.702 1.00 45.10 H new ATOM 0 HB3 LEU A 448 -7.798 -1.051 -11.461 1.00 45.10 H new ATOM 0 HG LEU A 448 -8.490 -3.287 -12.259 1.00 31.32 H new ATOM 0 HD11 LEU A 448 -10.876 -3.884 -12.242 1.00 52.35 H new ATOM 0 HD12 LEU A 448 -10.183 -3.823 -10.604 1.00 52.35 H new ATOM 0 HD13 LEU A 448 -11.209 -2.491 -11.187 1.00 52.35 H new ATOM 0 HD21 LEU A 448 -9.977 -2.466 -14.031 1.00 4.42 H new ATOM 0 HD22 LEU A 448 -10.244 -0.972 -13.102 1.00 4.42 H new ATOM 0 HD23 LEU A 448 -8.620 -1.358 -13.719 1.00 4.42 H new ATOM 740 N LEU A 449 -5.827 -3.060 -10.256 1.00 65.23 N ATOM 741 CA LEU A 449 -4.817 -4.065 -10.553 1.00 31.25 C ATOM 742 C LEU A 449 -4.501 -4.888 -9.321 1.00 1.53 C ATOM 743 O LEU A 449 -4.347 -6.106 -9.407 1.00 30.44 O ATOM 744 CB LEU A 449 -3.532 -3.480 -11.183 1.00 13.15 C ATOM 745 CG LEU A 449 -3.618 -2.985 -12.647 1.00 75.43 C ATOM 746 CD1 LEU A 449 -4.578 -1.824 -12.812 1.00 21.23 C ATOM 747 CD2 LEU A 449 -2.243 -2.615 -13.166 1.00 53.12 C ATOM 0 H LEU A 449 -5.475 -2.104 -10.204 1.00 65.23 H new ATOM 0 HA LEU A 449 -5.247 -4.719 -11.312 1.00 31.25 H new ATOM 0 HB2 LEU A 449 -3.203 -2.645 -10.564 1.00 13.15 H new ATOM 0 HB3 LEU A 449 -2.754 -4.242 -11.130 1.00 13.15 H new ATOM 0 HG LEU A 449 -4.012 -3.811 -13.239 1.00 75.43 H new ATOM 0 HD11 LEU A 449 -4.600 -1.516 -13.857 1.00 21.23 H new ATOM 0 HD12 LEU A 449 -5.577 -2.131 -12.503 1.00 21.23 H new ATOM 0 HD13 LEU A 449 -4.248 -0.989 -12.195 1.00 21.23 H new ATOM 0 HD21 LEU A 449 -2.324 -2.269 -14.197 1.00 53.12 H new ATOM 0 HD22 LEU A 449 -1.823 -1.821 -12.549 1.00 53.12 H new ATOM 0 HD23 LEU A 449 -1.592 -3.488 -13.126 1.00 53.12 H new ATOM 759 N GLY A 450 -4.430 -4.228 -8.169 1.00 73.22 N ATOM 760 CA GLY A 450 -4.222 -4.940 -6.913 1.00 12.03 C ATOM 761 C GLY A 450 -5.411 -5.835 -6.606 1.00 61.11 C ATOM 762 O GLY A 450 -5.258 -6.965 -6.124 1.00 13.23 O ATOM 0 H GLY A 450 -4.512 -3.215 -8.079 1.00 73.22 H new ATOM 0 HA2 GLY A 450 -3.314 -5.540 -6.974 1.00 12.03 H new ATOM 0 HA3 GLY A 450 -4.078 -4.226 -6.102 1.00 12.03 H new ATOM 766 N LEU A 451 -6.589 -5.320 -6.923 1.00 72.21 N ATOM 767 CA LEU A 451 -7.865 -6.012 -6.794 1.00 21.41 C ATOM 768 C LEU A 451 -7.853 -7.285 -7.643 1.00 14.13 C ATOM 769 O LEU A 451 -8.500 -8.274 -7.313 1.00 0.30 O ATOM 770 CB LEU A 451 -9.014 -5.083 -7.220 1.00 63.43 C ATOM 771 CG LEU A 451 -10.437 -5.632 -7.093 1.00 33.25 C ATOM 772 CD1 LEU A 451 -10.767 -5.959 -5.645 1.00 13.32 C ATOM 773 CD2 LEU A 451 -11.439 -4.641 -7.666 1.00 21.04 C ATOM 0 H LEU A 451 -6.688 -4.374 -7.291 1.00 72.21 H new ATOM 0 HA LEU A 451 -8.019 -6.292 -5.752 1.00 21.41 H new ATOM 0 HB2 LEU A 451 -8.949 -4.171 -6.627 1.00 63.43 H new ATOM 0 HB3 LEU A 451 -8.852 -4.800 -8.260 1.00 63.43 H new ATOM 0 HG LEU A 451 -10.500 -6.557 -7.666 1.00 33.25 H new ATOM 0 HD11 LEU A 451 -11.784 -6.347 -5.582 1.00 13.32 H new ATOM 0 HD12 LEU A 451 -10.069 -6.709 -5.273 1.00 13.32 H new ATOM 0 HD13 LEU A 451 -10.686 -5.056 -5.040 1.00 13.32 H new ATOM 0 HD21 LEU A 451 -12.447 -5.045 -7.569 1.00 21.04 H new ATOM 0 HD22 LEU A 451 -11.372 -3.699 -7.121 1.00 21.04 H new ATOM 0 HD23 LEU A 451 -11.218 -4.468 -8.719 1.00 21.04 H new ATOM 785 N GLY A 452 -7.119 -7.237 -8.754 1.00 72.33 N ATOM 786 CA GLY A 452 -6.959 -8.391 -9.631 1.00 24.54 C ATOM 787 C GLY A 452 -6.334 -9.586 -8.916 1.00 31.32 C ATOM 788 O GLY A 452 -6.426 -10.718 -9.387 1.00 3.04 O ATOM 0 H GLY A 452 -6.623 -6.403 -9.068 1.00 72.33 H new ATOM 0 HA2 GLY A 452 -7.932 -8.678 -10.029 1.00 24.54 H new ATOM 0 HA3 GLY A 452 -6.336 -8.114 -10.481 1.00 24.54 H new ATOM 792 N GLY A 453 -5.693 -9.328 -7.783 1.00 63.23 N ATOM 793 CA GLY A 453 -5.140 -10.388 -6.971 1.00 22.41 C ATOM 794 C GLY A 453 -6.238 -11.231 -6.339 1.00 12.01 C ATOM 795 O GLY A 453 -6.054 -12.418 -6.074 1.00 13.25 O ATOM 0 H GLY A 453 -5.547 -8.390 -7.411 1.00 63.23 H new ATOM 0 HA2 GLY A 453 -4.499 -11.022 -7.584 1.00 22.41 H new ATOM 0 HA3 GLY A 453 -4.512 -9.960 -6.190 1.00 22.41 H new ATOM 799 N LEU A 454 -7.385 -10.605 -6.100 1.00 24.14 N ATOM 800 CA LEU A 454 -8.538 -11.269 -5.499 1.00 51.12 C ATOM 801 C LEU A 454 -9.120 -12.260 -6.521 1.00 4.44 C ATOM 802 O LEU A 454 -9.625 -13.314 -6.166 1.00 40.34 O ATOM 803 CB LEU A 454 -9.585 -10.192 -5.051 1.00 55.41 C ATOM 804 CG LEU A 454 -10.778 -10.613 -4.132 1.00 30.35 C ATOM 805 CD1 LEU A 454 -11.749 -11.575 -4.801 1.00 71.24 C ATOM 806 CD2 LEU A 454 -10.265 -11.192 -2.823 1.00 52.35 C ATOM 0 H LEU A 454 -7.543 -9.621 -6.318 1.00 24.14 H new ATOM 0 HA LEU A 454 -8.249 -11.829 -4.610 1.00 51.12 H new ATOM 0 HB2 LEU A 454 -9.040 -9.401 -4.536 1.00 55.41 H new ATOM 0 HB3 LEU A 454 -10.008 -9.752 -5.954 1.00 55.41 H new ATOM 0 HG LEU A 454 -11.343 -9.704 -3.928 1.00 30.35 H new ATOM 0 HD11 LEU A 454 -12.551 -11.824 -4.106 1.00 71.24 H new ATOM 0 HD12 LEU A 454 -12.172 -11.106 -5.690 1.00 71.24 H new ATOM 0 HD13 LEU A 454 -11.221 -12.485 -5.087 1.00 71.24 H new ATOM 0 HD21 LEU A 454 -11.109 -11.479 -2.196 1.00 52.35 H new ATOM 0 HD22 LEU A 454 -9.651 -12.069 -3.029 1.00 52.35 H new ATOM 0 HD23 LEU A 454 -9.666 -10.444 -2.304 1.00 52.35 H new ATOM 818 N LEU A 455 -8.985 -11.918 -7.798 1.00 52.13 N ATOM 819 CA LEU A 455 -9.503 -12.725 -8.912 1.00 5.44 C ATOM 820 C LEU A 455 -8.899 -14.149 -8.893 1.00 22.32 C ATOM 821 O LEU A 455 -9.519 -15.109 -9.358 1.00 21.32 O ATOM 822 CB LEU A 455 -9.199 -12.022 -10.246 1.00 61.41 C ATOM 823 CG LEU A 455 -9.762 -12.665 -11.517 1.00 44.55 C ATOM 824 CD1 LEU A 455 -11.285 -12.680 -11.487 1.00 14.13 C ATOM 825 CD2 LEU A 455 -9.257 -11.931 -12.754 1.00 12.00 C ATOM 0 H LEU A 455 -8.510 -11.067 -8.098 1.00 52.13 H new ATOM 0 HA LEU A 455 -10.583 -12.823 -8.801 1.00 5.44 H new ATOM 0 HB2 LEU A 455 -9.579 -11.002 -10.186 1.00 61.41 H new ATOM 0 HB3 LEU A 455 -8.116 -11.952 -10.353 1.00 61.41 H new ATOM 0 HG LEU A 455 -9.414 -13.697 -11.561 1.00 44.55 H new ATOM 0 HD11 LEU A 455 -11.662 -13.141 -12.400 1.00 14.13 H new ATOM 0 HD12 LEU A 455 -11.626 -13.251 -10.624 1.00 14.13 H new ATOM 0 HD13 LEU A 455 -11.658 -11.658 -11.416 1.00 14.13 H new ATOM 0 HD21 LEU A 455 -9.667 -12.401 -13.648 1.00 12.00 H new ATOM 0 HD22 LEU A 455 -9.574 -10.889 -12.714 1.00 12.00 H new ATOM 0 HD23 LEU A 455 -8.168 -11.978 -12.786 1.00 12.00 H new ATOM 837 N LEU A 456 -7.693 -14.265 -8.344 1.00 33.44 N ATOM 838 CA LEU A 456 -6.984 -15.547 -8.203 1.00 30.24 C ATOM 839 C LEU A 456 -7.786 -16.537 -7.326 1.00 55.02 C ATOM 840 O LEU A 456 -7.640 -17.755 -7.443 1.00 33.54 O ATOM 841 CB LEU A 456 -5.597 -15.305 -7.587 1.00 53.41 C ATOM 842 CG LEU A 456 -4.706 -16.537 -7.390 1.00 73.02 C ATOM 843 CD1 LEU A 456 -4.368 -17.182 -8.723 1.00 22.53 C ATOM 844 CD2 LEU A 456 -3.441 -16.167 -6.635 1.00 63.25 C ATOM 0 H LEU A 456 -7.170 -13.469 -7.979 1.00 33.44 H new ATOM 0 HA LEU A 456 -6.873 -15.988 -9.193 1.00 30.24 H new ATOM 0 HB2 LEU A 456 -5.063 -14.596 -8.220 1.00 53.41 H new ATOM 0 HB3 LEU A 456 -5.734 -14.826 -6.618 1.00 53.41 H new ATOM 0 HG LEU A 456 -5.260 -17.264 -6.796 1.00 73.02 H new ATOM 0 HD11 LEU A 456 -3.735 -18.054 -8.555 1.00 22.53 H new ATOM 0 HD12 LEU A 456 -5.287 -17.491 -9.221 1.00 22.53 H new ATOM 0 HD13 LEU A 456 -3.839 -16.465 -9.351 1.00 22.53 H new ATOM 0 HD21 LEU A 456 -2.822 -17.055 -6.505 1.00 63.25 H new ATOM 0 HD22 LEU A 456 -2.887 -15.417 -7.199 1.00 63.25 H new ATOM 0 HD23 LEU A 456 -3.706 -15.763 -5.658 1.00 63.25 H new ATOM 856 N LEU A 457 -8.622 -15.994 -6.465 1.00 61.45 N ATOM 857 CA LEU A 457 -9.446 -16.767 -5.539 1.00 73.42 C ATOM 858 C LEU A 457 -10.617 -17.474 -6.217 1.00 62.44 C ATOM 859 O LEU A 457 -11.100 -18.470 -5.710 1.00 4.22 O ATOM 860 CB LEU A 457 -9.923 -15.950 -4.323 1.00 33.12 C ATOM 861 CG LEU A 457 -8.864 -15.560 -3.261 1.00 42.31 C ATOM 862 CD1 LEU A 457 -7.769 -14.671 -3.824 1.00 0.22 C ATOM 863 CD2 LEU A 457 -9.536 -14.896 -2.079 1.00 24.24 C ATOM 0 H LEU A 457 -8.755 -14.986 -6.382 1.00 61.45 H new ATOM 0 HA LEU A 457 -8.779 -17.543 -5.163 1.00 73.42 H new ATOM 0 HB2 LEU A 457 -10.381 -15.033 -4.693 1.00 33.12 H new ATOM 0 HB3 LEU A 457 -10.707 -16.519 -3.823 1.00 33.12 H new ATOM 0 HG LEU A 457 -8.380 -16.480 -2.934 1.00 42.31 H new ATOM 0 HD11 LEU A 457 -7.056 -14.429 -3.036 1.00 0.22 H new ATOM 0 HD12 LEU A 457 -7.255 -15.193 -4.631 1.00 0.22 H new ATOM 0 HD13 LEU A 457 -8.209 -13.751 -4.209 1.00 0.22 H new ATOM 0 HD21 LEU A 457 -8.784 -14.625 -1.338 1.00 24.24 H new ATOM 0 HD22 LEU A 457 -10.056 -13.998 -2.413 1.00 24.24 H new ATOM 0 HD23 LEU A 457 -10.253 -15.586 -1.633 1.00 24.24 H new ATOM 875 N VAL A 458 -11.092 -16.933 -7.337 1.00 10.42 N ATOM 876 CA VAL A 458 -12.238 -17.517 -8.070 1.00 21.21 C ATOM 877 C VAL A 458 -12.119 -19.075 -8.291 1.00 71.43 C ATOM 878 O VAL A 458 -13.050 -19.805 -7.968 1.00 71.53 O ATOM 879 CB VAL A 458 -12.528 -16.774 -9.409 1.00 71.30 C ATOM 880 CG1 VAL A 458 -13.683 -17.420 -10.152 1.00 34.20 C ATOM 881 CG2 VAL A 458 -12.838 -15.309 -9.137 1.00 31.02 C ATOM 0 H VAL A 458 -10.708 -16.091 -7.765 1.00 10.42 H new ATOM 0 HA VAL A 458 -13.098 -17.367 -7.417 1.00 21.21 H new ATOM 0 HB VAL A 458 -11.639 -16.843 -10.035 1.00 71.30 H new ATOM 0 HG11 VAL A 458 -13.864 -16.882 -11.082 1.00 34.20 H new ATOM 0 HG12 VAL A 458 -13.437 -18.458 -10.375 1.00 34.20 H new ATOM 0 HG13 VAL A 458 -14.579 -17.385 -9.533 1.00 34.20 H new ATOM 0 HG21 VAL A 458 -13.039 -14.799 -10.079 1.00 31.02 H new ATOM 0 HG22 VAL A 458 -13.713 -15.236 -8.491 1.00 31.02 H new ATOM 0 HG23 VAL A 458 -11.984 -14.842 -8.646 1.00 31.02 H new ATOM 891 N PRO A 459 -10.974 -19.610 -8.814 1.00 72.00 N ATOM 892 CA PRO A 459 -10.783 -21.072 -8.962 1.00 43.25 C ATOM 893 C PRO A 459 -10.620 -21.786 -7.598 1.00 54.34 C ATOM 894 O PRO A 459 -10.669 -23.018 -7.512 1.00 63.44 O ATOM 895 CB PRO A 459 -9.484 -21.190 -9.779 1.00 22.41 C ATOM 896 CG PRO A 459 -9.260 -19.831 -10.343 1.00 30.21 C ATOM 897 CD PRO A 459 -9.820 -18.878 -9.345 1.00 0.23 C ATOM 0 HA PRO A 459 -11.645 -21.543 -9.435 1.00 43.25 H new ATOM 0 HB2 PRO A 459 -8.649 -21.499 -9.150 1.00 22.41 H new ATOM 0 HB3 PRO A 459 -9.581 -21.934 -10.569 1.00 22.41 H new ATOM 0 HG2 PRO A 459 -8.198 -19.646 -10.507 1.00 30.21 H new ATOM 0 HG3 PRO A 459 -9.755 -19.722 -11.308 1.00 30.21 H new ATOM 0 HD2 PRO A 459 -9.098 -18.638 -8.564 1.00 0.23 H new ATOM 0 HD3 PRO A 459 -10.115 -17.936 -9.806 1.00 0.23 H new ATOM 905 N ILE A 460 -10.438 -21.000 -6.549 1.00 45.45 N ATOM 906 CA ILE A 460 -10.237 -21.503 -5.192 1.00 10.35 C ATOM 907 C ILE A 460 -11.600 -21.652 -4.477 1.00 53.53 C ATOM 908 O ILE A 460 -11.694 -22.244 -3.404 1.00 34.34 O ATOM 909 CB ILE A 460 -9.277 -20.543 -4.380 1.00 71.15 C ATOM 910 CG1 ILE A 460 -7.921 -20.408 -5.091 1.00 61.51 C ATOM 911 CG2 ILE A 460 -9.062 -21.008 -2.936 1.00 72.34 C ATOM 912 CD1 ILE A 460 -7.153 -21.713 -5.225 1.00 52.32 C ATOM 0 H ILE A 460 -10.425 -19.982 -6.613 1.00 45.45 H new ATOM 0 HA ILE A 460 -9.764 -22.484 -5.246 1.00 10.35 H new ATOM 0 HB ILE A 460 -9.768 -19.571 -4.340 1.00 71.15 H new ATOM 0 HG12 ILE A 460 -8.085 -19.993 -6.085 1.00 61.51 H new ATOM 0 HG13 ILE A 460 -7.307 -19.693 -4.544 1.00 61.51 H new ATOM 0 HG21 ILE A 460 -8.395 -20.313 -2.425 1.00 72.34 H new ATOM 0 HG22 ILE A 460 -10.020 -21.039 -2.417 1.00 72.34 H new ATOM 0 HG23 ILE A 460 -8.617 -22.003 -2.937 1.00 72.34 H new ATOM 0 HD11 ILE A 460 -6.209 -21.529 -5.738 1.00 52.32 H new ATOM 0 HD12 ILE A 460 -6.954 -22.122 -4.234 1.00 52.32 H new ATOM 0 HD13 ILE A 460 -7.745 -22.426 -5.799 1.00 52.32 H new ATOM 924 N ILE A 461 -12.670 -21.156 -5.100 1.00 52.23 N ATOM 925 CA ILE A 461 -14.012 -21.287 -4.511 1.00 22.52 C ATOM 926 C ILE A 461 -14.383 -22.783 -4.426 1.00 71.52 C ATOM 927 O ILE A 461 -15.118 -23.221 -3.540 1.00 5.34 O ATOM 928 CB ILE A 461 -15.098 -20.503 -5.313 1.00 50.23 C ATOM 929 CG1 ILE A 461 -14.723 -19.008 -5.449 1.00 32.01 C ATOM 930 CG2 ILE A 461 -16.464 -20.635 -4.647 1.00 11.20 C ATOM 931 CD1 ILE A 461 -14.563 -18.265 -4.137 1.00 53.20 C ATOM 0 H ILE A 461 -12.641 -20.668 -5.995 1.00 52.23 H new ATOM 0 HA ILE A 461 -13.984 -20.848 -3.514 1.00 22.52 H new ATOM 0 HB ILE A 461 -15.147 -20.940 -6.311 1.00 50.23 H new ATOM 0 HG12 ILE A 461 -13.790 -18.932 -6.008 1.00 32.01 H new ATOM 0 HG13 ILE A 461 -15.491 -18.509 -6.041 1.00 32.01 H new ATOM 0 HG21 ILE A 461 -17.205 -20.081 -5.223 1.00 11.20 H new ATOM 0 HG22 ILE A 461 -16.749 -21.686 -4.606 1.00 11.20 H new ATOM 0 HG23 ILE A 461 -16.416 -20.232 -3.635 1.00 11.20 H new ATOM 0 HD11 ILE A 461 -14.300 -17.226 -4.337 1.00 53.20 H new ATOM 0 HD12 ILE A 461 -15.500 -18.302 -3.581 1.00 53.20 H new ATOM 0 HD13 ILE A 461 -13.773 -18.732 -3.548 1.00 53.20 H new ATOM 943 N CYS A 462 -13.817 -23.555 -5.334 1.00 5.43 N ATOM 944 CA CYS A 462 -13.964 -24.999 -5.350 1.00 32.23 C ATOM 945 C CYS A 462 -13.339 -25.613 -4.081 1.00 64.15 C ATOM 946 O CYS A 462 -13.801 -26.638 -3.578 1.00 73.22 O ATOM 947 CB CYS A 462 -13.285 -25.564 -6.606 1.00 23.12 C ATOM 948 SG CYS A 462 -13.394 -27.355 -6.802 1.00 22.43 S ATOM 0 H CYS A 462 -13.236 -23.194 -6.090 1.00 5.43 H new ATOM 0 HA CYS A 462 -15.024 -25.254 -5.368 1.00 32.23 H new ATOM 0 HB2 CYS A 462 -13.728 -25.091 -7.482 1.00 23.12 H new ATOM 0 HB3 CYS A 462 -12.233 -25.280 -6.589 1.00 23.12 H new ATOM 0 HG CYS A 462 -12.788 -27.710 -7.896 1.00 22.43 H new ATOM 954 N GLN A 463 -12.327 -24.939 -3.539 1.00 72.11 N ATOM 955 CA GLN A 463 -11.622 -25.410 -2.364 1.00 52.10 C ATOM 956 C GLN A 463 -12.503 -25.103 -1.162 1.00 24.32 C ATOM 957 O GLN A 463 -12.548 -25.846 -0.190 1.00 43.31 O ATOM 958 CB GLN A 463 -10.222 -24.720 -2.302 1.00 24.43 C ATOM 959 CG GLN A 463 -9.241 -25.199 -1.219 1.00 1.20 C ATOM 960 CD GLN A 463 -9.607 -24.814 0.201 1.00 42.43 C ATOM 961 OE1 GLN A 463 -10.230 -23.785 0.443 1.00 20.12 O ATOM 962 NE2 GLN A 463 -9.211 -25.627 1.141 1.00 31.40 N ATOM 0 H GLN A 463 -11.978 -24.054 -3.906 1.00 72.11 H new ATOM 0 HA GLN A 463 -11.434 -26.484 -2.385 1.00 52.10 H new ATOM 0 HB2 GLN A 463 -9.741 -24.848 -3.272 1.00 24.43 H new ATOM 0 HB3 GLN A 463 -10.380 -23.651 -2.163 1.00 24.43 H new ATOM 0 HG2 GLN A 463 -9.165 -26.285 -1.276 1.00 1.20 H new ATOM 0 HG3 GLN A 463 -8.253 -24.798 -1.444 1.00 1.20 H new ATOM 0 HE21 GLN A 463 -8.695 -26.473 0.900 1.00 31.40 H new ATOM 0 HE22 GLN A 463 -9.417 -25.417 2.118 1.00 31.40 H new ATOM 971 N LEU A 464 -13.253 -24.022 -1.282 1.00 45.42 N ATOM 972 CA LEU A 464 -14.196 -23.607 -0.266 1.00 65.13 C ATOM 973 C LEU A 464 -15.383 -24.537 -0.234 1.00 22.53 C ATOM 974 O LEU A 464 -16.025 -24.690 0.782 1.00 24.21 O ATOM 975 CB LEU A 464 -14.622 -22.178 -0.484 1.00 64.22 C ATOM 976 CG LEU A 464 -13.491 -21.184 -0.434 1.00 70.02 C ATOM 977 CD1 LEU A 464 -13.962 -19.809 -0.814 1.00 14.44 C ATOM 978 CD2 LEU A 464 -12.850 -21.163 0.932 1.00 62.43 C ATOM 0 H LEU A 464 -13.223 -23.405 -2.094 1.00 45.42 H new ATOM 0 HA LEU A 464 -13.704 -23.660 0.705 1.00 65.13 H new ATOM 0 HB2 LEU A 464 -15.116 -22.101 -1.453 1.00 64.22 H new ATOM 0 HB3 LEU A 464 -15.360 -21.911 0.272 1.00 64.22 H new ATOM 0 HG LEU A 464 -12.741 -21.500 -1.160 1.00 70.02 H new ATOM 0 HD11 LEU A 464 -13.125 -19.112 -0.769 1.00 14.44 H new ATOM 0 HD12 LEU A 464 -14.364 -19.829 -1.827 1.00 14.44 H new ATOM 0 HD13 LEU A 464 -14.740 -19.487 -0.122 1.00 14.44 H new ATOM 0 HD21 LEU A 464 -12.037 -20.437 0.941 1.00 62.43 H new ATOM 0 HD22 LEU A 464 -13.594 -20.884 1.679 1.00 62.43 H new ATOM 0 HD23 LEU A 464 -12.456 -22.152 1.164 1.00 62.43 H new ATOM 990 N ARG A 465 -15.654 -25.199 -1.342 1.00 64.31 N ATOM 991 CA ARG A 465 -16.713 -26.189 -1.353 1.00 14.31 C ATOM 992 C ARG A 465 -16.283 -27.390 -0.514 1.00 74.22 C ATOM 993 O ARG A 465 -17.106 -28.148 -0.011 1.00 43.21 O ATOM 994 CB ARG A 465 -17.099 -26.607 -2.777 1.00 22.33 C ATOM 995 CG ARG A 465 -17.535 -25.444 -3.668 1.00 34.23 C ATOM 996 CD ARG A 465 -18.630 -24.609 -3.008 1.00 53.22 C ATOM 997 NE ARG A 465 -19.833 -25.386 -2.691 1.00 22.23 N ATOM 998 CZ ARG A 465 -20.688 -25.102 -1.690 1.00 21.52 C ATOM 999 NH1 ARG A 465 -20.436 -24.088 -0.854 1.00 64.01 N ATOM 1000 NH2 ARG A 465 -21.782 -25.837 -1.520 1.00 75.41 N ATOM 0 H ARG A 465 -15.167 -25.074 -2.229 1.00 64.31 H new ATOM 0 HA ARG A 465 -17.608 -25.746 -0.916 1.00 14.31 H new ATOM 0 HB2 ARG A 465 -16.249 -27.108 -3.241 1.00 22.33 H new ATOM 0 HB3 ARG A 465 -17.909 -27.335 -2.724 1.00 22.33 H new ATOM 0 HG2 ARG A 465 -16.675 -24.810 -3.886 1.00 34.23 H new ATOM 0 HG3 ARG A 465 -17.896 -25.831 -4.621 1.00 34.23 H new ATOM 0 HD2 ARG A 465 -18.239 -24.166 -2.092 1.00 53.22 H new ATOM 0 HD3 ARG A 465 -18.900 -23.786 -3.670 1.00 53.22 H new ATOM 0 HE ARG A 465 -20.037 -26.200 -3.271 1.00 22.23 H new ATOM 0 HH11 ARG A 465 -19.593 -23.526 -0.973 1.00 64.01 H new ATOM 0 HH12 ARG A 465 -21.087 -23.877 -0.097 1.00 64.01 H new ATOM 0 HH21 ARG A 465 -21.975 -26.617 -2.148 1.00 75.41 H new ATOM 0 HH22 ARG A 465 -22.429 -25.621 -0.761 1.00 75.41 H new ATOM 1014 N SER A 466 -14.979 -27.529 -0.349 1.00 31.24 N ATOM 1015 CA SER A 466 -14.414 -28.534 0.506 1.00 32.30 C ATOM 1016 C SER A 466 -14.303 -27.965 1.937 1.00 54.00 C ATOM 1017 O SER A 466 -14.077 -28.682 2.886 1.00 61.25 O ATOM 1018 CB SER A 466 -13.032 -28.976 -0.030 1.00 14.51 C ATOM 1019 OG SER A 466 -12.446 -29.993 0.780 1.00 41.33 O ATOM 0 H SER A 466 -14.287 -26.940 -0.811 1.00 31.24 H new ATOM 0 HA SER A 466 -15.057 -29.414 0.523 1.00 32.30 H new ATOM 0 HB2 SER A 466 -13.139 -29.342 -1.051 1.00 14.51 H new ATOM 0 HB3 SER A 466 -12.366 -28.114 -0.069 1.00 14.51 H new ATOM 0 HG SER A 466 -12.770 -29.905 1.701 1.00 41.33 H new ATOM 1025 N GLN A 467 -14.474 -26.664 2.065 1.00 72.30 N ATOM 1026 CA GLN A 467 -14.467 -26.006 3.358 1.00 3.05 C ATOM 1027 C GLN A 467 -15.854 -26.104 3.994 1.00 52.34 C ATOM 1028 O GLN A 467 -15.990 -26.397 5.188 1.00 4.40 O ATOM 1029 CB GLN A 467 -13.978 -24.537 3.242 1.00 54.02 C ATOM 1030 CG GLN A 467 -12.513 -24.394 2.870 1.00 1.50 C ATOM 1031 CD GLN A 467 -11.587 -25.068 3.858 1.00 32.44 C ATOM 1032 OE1 GLN A 467 -11.170 -24.465 4.833 1.00 21.21 O ATOM 1033 NE2 GLN A 467 -11.237 -26.302 3.598 1.00 64.41 N ATOM 0 H GLN A 467 -14.622 -26.033 1.277 1.00 72.30 H new ATOM 0 HA GLN A 467 -13.758 -26.515 4.011 1.00 3.05 H new ATOM 0 HB2 GLN A 467 -14.582 -24.023 2.495 1.00 54.02 H new ATOM 0 HB3 GLN A 467 -14.150 -24.033 4.193 1.00 54.02 H new ATOM 0 HG2 GLN A 467 -12.352 -24.820 1.880 1.00 1.50 H new ATOM 0 HG3 GLN A 467 -12.261 -23.335 2.807 1.00 1.50 H new ATOM 0 HE21 GLN A 467 -11.607 -26.774 2.773 1.00 64.41 H new ATOM 0 HE22 GLN A 467 -10.595 -26.792 4.221 1.00 64.41 H new ATOM 1042 N GLU A 468 -16.876 -25.887 3.188 1.00 32.12 N ATOM 1043 CA GLU A 468 -18.275 -26.020 3.613 1.00 1.31 C ATOM 1044 C GLU A 468 -18.756 -27.481 3.584 1.00 22.13 C ATOM 1045 O GLU A 468 -19.922 -27.742 3.822 1.00 10.04 O ATOM 1046 CB GLU A 468 -19.228 -25.136 2.775 1.00 61.44 C ATOM 1047 CG GLU A 468 -19.206 -23.626 3.077 1.00 42.40 C ATOM 1048 CD GLU A 468 -17.899 -22.931 2.807 1.00 53.03 C ATOM 1049 OE1 GLU A 468 -17.080 -22.771 3.749 1.00 11.01 O ATOM 1050 OE2 GLU A 468 -17.687 -22.488 1.656 1.00 75.34 O ATOM 0 H GLU A 468 -16.768 -25.611 2.212 1.00 32.12 H new ATOM 0 HA GLU A 468 -18.304 -25.671 4.645 1.00 1.31 H new ATOM 0 HB2 GLU A 468 -18.986 -25.277 1.721 1.00 61.44 H new ATOM 0 HB3 GLU A 468 -20.246 -25.498 2.920 1.00 61.44 H new ATOM 0 HG2 GLU A 468 -19.983 -23.143 2.485 1.00 42.40 H new ATOM 0 HG3 GLU A 468 -19.466 -23.479 4.125 1.00 42.40 H new