USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 761 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 653 LYS NZ :NH3+ -164:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 661 THR OG1 : rot 73:sc= 1.94 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 596 SER OG : rot -64:sc=-0.00889 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.709) USER MOD Single : A 608 ASN : amide:sc= -0.528! K(o=-0.53!,f=-1.7) USER MOD Single : A 610 SER OG : rot 180:sc= -0.039 USER MOD Single : A 622 LYS NZ :NH3+ -178:sc= -2.84 (180deg=-3.1) USER MOD Single : A 623 SER OG : rot 180:sc= -1.43 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot -110:sc= -1.21 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.59) USER MOD Single : A 641 GLN : amide:sc= -0.59 K(o=-0.59,f=-5.9!) USER MOD Single : A 646 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.2!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 655 ASN : amide:sc= -0.625 K(o=-0.62,f=-2.3!) USER MOD Single : A 656 GLN : amide:sc= 0.57 K(o=0.57,f=-9.3!) USER MOD Single : A 659 MET CE :methyl 178:sc= -3.55! (180deg=-3.72!) USER MOD Single : A 665 SER OG : rot 86:sc= 1.26 USER MOD Single : A 666 MET CE :methyl -112:sc= -2.71 (180deg=-5.62!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 80:sc= 0.26 USER MOD Single : A 671 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 164:sc= -0.102 (180deg=-0.474) USER MOD Single : A 677 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.173 -5.397 -1.114 1.00 43.34 N ATOM 79 CA GLU A 585 -13.193 -4.346 -2.093 1.00 74.25 C ATOM 80 C GLU A 585 -12.234 -3.262 -1.690 1.00 1.11 C ATOM 81 O GLU A 585 -12.029 -3.011 -0.488 1.00 35.12 O ATOM 82 CB GLU A 585 -14.604 -3.777 -2.275 1.00 21.14 C ATOM 83 CG GLU A 585 -15.254 -3.322 -0.985 1.00 35.43 C ATOM 84 CD GLU A 585 -16.568 -2.625 -1.199 1.00 0.34 C ATOM 85 OE1 GLU A 585 -17.497 -3.236 -1.748 1.00 52.04 O ATOM 86 OE2 GLU A 585 -16.703 -1.451 -0.761 1.00 20.31 O ATOM 0 HA GLU A 585 -12.883 -4.763 -3.051 1.00 74.25 H new ATOM 0 HB2 GLU A 585 -14.559 -2.934 -2.965 1.00 21.14 H new ATOM 0 HB3 GLU A 585 -15.234 -4.536 -2.740 1.00 21.14 H new ATOM 0 HG2 GLU A 585 -15.409 -4.186 -0.339 1.00 35.43 H new ATOM 0 HG3 GLU A 585 -14.575 -2.650 -0.460 1.00 35.43 H new ATOM 93 N PHE A 586 -11.641 -2.643 -2.669 1.00 50.54 N ATOM 94 CA PHE A 586 -10.678 -1.615 -2.433 1.00 41.33 C ATOM 95 C PHE A 586 -11.338 -0.269 -2.402 1.00 35.24 C ATOM 96 O PHE A 586 -12.093 0.096 -3.311 1.00 23.23 O ATOM 97 CB PHE A 586 -9.554 -1.623 -3.483 1.00 33.40 C ATOM 98 CG PHE A 586 -8.627 -2.822 -3.443 1.00 61.20 C ATOM 99 CD1 PHE A 586 -8.844 -3.880 -2.573 1.00 71.22 C ATOM 100 CD2 PHE A 586 -7.530 -2.877 -4.283 1.00 43.21 C ATOM 101 CE1 PHE A 586 -7.997 -4.957 -2.541 1.00 1.05 C ATOM 102 CE2 PHE A 586 -6.677 -3.956 -4.261 1.00 54.31 C ATOM 103 CZ PHE A 586 -6.909 -5.000 -3.389 1.00 4.11 C ATOM 0 H PHE A 586 -11.814 -2.840 -3.655 1.00 50.54 H new ATOM 0 HA PHE A 586 -10.227 -1.818 -1.461 1.00 41.33 H new ATOM 0 HB2 PHE A 586 -10.006 -1.569 -4.473 1.00 33.40 H new ATOM 0 HB3 PHE A 586 -8.956 -0.720 -3.356 1.00 33.40 H new ATOM 0 HD1 PHE A 586 -9.695 -3.855 -1.909 1.00 71.22 H new ATOM 0 HD2 PHE A 586 -7.340 -2.062 -4.966 1.00 43.21 H new ATOM 0 HE1 PHE A 586 -8.180 -5.770 -1.854 1.00 1.05 H new ATOM 0 HE2 PHE A 586 -5.826 -3.986 -4.926 1.00 54.31 H new ATOM 0 HZ PHE A 586 -6.241 -5.848 -3.370 1.00 4.11 H new ATOM 113 N LEU A 587 -11.080 0.450 -1.367 1.00 63.41 N ATOM 114 CA LEU A 587 -11.585 1.768 -1.216 1.00 23.42 C ATOM 115 C LEU A 587 -10.491 2.728 -1.470 1.00 54.43 C ATOM 116 O LEU A 587 -9.384 2.579 -0.960 1.00 4.33 O ATOM 117 CB LEU A 587 -12.158 1.985 0.171 1.00 40.44 C ATOM 118 CG LEU A 587 -13.335 1.116 0.524 1.00 64.40 C ATOM 119 CD1 LEU A 587 -13.760 1.352 1.961 1.00 31.21 C ATOM 120 CD2 LEU A 587 -14.490 1.385 -0.419 1.00 61.03 C ATOM 0 H LEU A 587 -10.502 0.133 -0.588 1.00 63.41 H new ATOM 0 HA LEU A 587 -12.393 1.921 -1.932 1.00 23.42 H new ATOM 0 HB2 LEU A 587 -11.369 1.814 0.903 1.00 40.44 H new ATOM 0 HB3 LEU A 587 -12.458 3.029 0.263 1.00 40.44 H new ATOM 0 HG LEU A 587 -13.037 0.073 0.421 1.00 64.40 H new ATOM 0 HD11 LEU A 587 -14.612 0.715 2.198 1.00 31.21 H new ATOM 0 HD12 LEU A 587 -12.932 1.114 2.629 1.00 31.21 H new ATOM 0 HD13 LEU A 587 -14.041 2.397 2.090 1.00 31.21 H new ATOM 0 HD21 LEU A 587 -15.334 0.749 -0.151 1.00 61.03 H new ATOM 0 HD22 LEU A 587 -14.786 2.431 -0.343 1.00 61.03 H new ATOM 0 HD23 LEU A 587 -14.183 1.168 -1.442 1.00 61.03 H new ATOM 132 N THR A 588 -10.770 3.677 -2.263 1.00 51.01 N ATOM 133 CA THR A 588 -9.806 4.663 -2.578 1.00 75.10 C ATOM 134 C THR A 588 -10.151 5.955 -1.861 1.00 5.01 C ATOM 135 O THR A 588 -11.248 6.510 -2.031 1.00 64.01 O ATOM 136 CB THR A 588 -9.760 4.882 -4.092 1.00 53.12 C ATOM 137 OG1 THR A 588 -9.536 3.610 -4.730 1.00 34.32 O ATOM 138 CG2 THR A 588 -8.637 5.836 -4.470 1.00 12.44 C ATOM 0 H THR A 588 -11.674 3.801 -2.719 1.00 51.01 H new ATOM 0 HA THR A 588 -8.822 4.330 -2.249 1.00 75.10 H new ATOM 0 HB THR A 588 -10.704 5.318 -4.418 1.00 53.12 H new ATOM 0 HG1 THR A 588 -9.506 3.732 -5.702 1.00 34.32 H new ATOM 0 HG21 THR A 588 -8.626 5.975 -5.551 1.00 12.44 H new ATOM 0 HG22 THR A 588 -8.797 6.798 -3.982 1.00 12.44 H new ATOM 0 HG23 THR A 588 -7.682 5.420 -4.148 1.00 12.44 H new ATOM 146 N PHE A 589 -9.237 6.414 -1.062 1.00 34.32 N ATOM 147 CA PHE A 589 -9.403 7.633 -0.329 1.00 61.13 C ATOM 148 C PHE A 589 -8.318 8.598 -0.689 1.00 70.40 C ATOM 149 O PHE A 589 -7.152 8.243 -0.694 1.00 5.22 O ATOM 150 CB PHE A 589 -9.407 7.374 1.172 1.00 25.02 C ATOM 151 CG PHE A 589 -10.593 6.583 1.585 1.00 65.13 C ATOM 152 CD1 PHE A 589 -11.844 7.111 1.411 1.00 72.43 C ATOM 153 CD2 PHE A 589 -10.469 5.320 2.132 1.00 60.13 C ATOM 154 CE1 PHE A 589 -12.952 6.418 1.765 1.00 43.13 C ATOM 155 CE2 PHE A 589 -11.591 4.606 2.500 1.00 73.33 C ATOM 156 CZ PHE A 589 -12.839 5.158 2.314 1.00 72.22 C ATOM 0 H PHE A 589 -8.345 5.948 -0.898 1.00 34.32 H new ATOM 0 HA PHE A 589 -10.367 8.065 -0.597 1.00 61.13 H new ATOM 0 HB2 PHE A 589 -8.498 6.842 1.453 1.00 25.02 H new ATOM 0 HB3 PHE A 589 -9.398 8.324 1.706 1.00 25.02 H new ATOM 0 HD1 PHE A 589 -11.949 8.097 0.984 1.00 72.43 H new ATOM 0 HD2 PHE A 589 -9.489 4.889 2.272 1.00 60.13 H new ATOM 0 HE1 PHE A 589 -13.929 6.854 1.617 1.00 43.13 H new ATOM 0 HE2 PHE A 589 -11.491 3.621 2.931 1.00 73.33 H new ATOM 0 HZ PHE A 589 -13.724 4.607 2.596 1.00 72.22 H new ATOM 166 N GLU A 590 -8.691 9.789 -1.019 1.00 15.40 N ATOM 167 CA GLU A 590 -7.744 10.802 -1.393 1.00 61.52 C ATOM 168 C GLU A 590 -7.731 11.878 -0.328 1.00 41.51 C ATOM 169 O GLU A 590 -8.742 12.516 -0.056 1.00 11.01 O ATOM 170 CB GLU A 590 -8.122 11.368 -2.742 1.00 71.44 C ATOM 171 CG GLU A 590 -8.214 10.294 -3.820 1.00 43.42 C ATOM 172 CD GLU A 590 -8.722 10.818 -5.123 1.00 70.32 C ATOM 173 OE1 GLU A 590 -9.959 10.885 -5.295 1.00 44.11 O ATOM 174 OE2 GLU A 590 -7.907 11.162 -5.998 1.00 42.33 O ATOM 0 H GLU A 590 -9.664 10.095 -1.039 1.00 15.40 H new ATOM 0 HA GLU A 590 -6.742 10.380 -1.472 1.00 61.52 H new ATOM 0 HB2 GLU A 590 -9.080 11.881 -2.662 1.00 71.44 H new ATOM 0 HB3 GLU A 590 -7.385 12.114 -3.039 1.00 71.44 H new ATOM 0 HG2 GLU A 590 -7.229 9.853 -3.971 1.00 43.42 H new ATOM 0 HG3 GLU A 590 -8.871 9.496 -3.475 1.00 43.42 H new ATOM 181 N VAL A 591 -6.613 12.040 0.283 1.00 70.44 N ATOM 182 CA VAL A 591 -6.446 12.964 1.384 1.00 54.40 C ATOM 183 C VAL A 591 -5.518 14.093 0.970 1.00 1.54 C ATOM 184 O VAL A 591 -4.380 13.853 0.647 1.00 33.30 O ATOM 185 CB VAL A 591 -5.835 12.217 2.610 1.00 2.33 C ATOM 186 CG1 VAL A 591 -5.619 13.152 3.794 1.00 25.31 C ATOM 187 CG2 VAL A 591 -6.730 11.068 3.019 1.00 1.21 C ATOM 0 H VAL A 591 -5.763 11.532 0.039 1.00 70.44 H new ATOM 0 HA VAL A 591 -7.419 13.374 1.656 1.00 54.40 H new ATOM 0 HB VAL A 591 -4.861 11.832 2.307 1.00 2.33 H new ATOM 0 HG11 VAL A 591 -5.192 12.592 4.626 1.00 25.31 H new ATOM 0 HG12 VAL A 591 -4.936 13.952 3.506 1.00 25.31 H new ATOM 0 HG13 VAL A 591 -6.574 13.582 4.097 1.00 25.31 H new ATOM 0 HG21 VAL A 591 -6.294 10.554 3.875 1.00 1.21 H new ATOM 0 HG22 VAL A 591 -7.714 11.451 3.289 1.00 1.21 H new ATOM 0 HG23 VAL A 591 -6.828 10.370 2.188 1.00 1.21 H new ATOM 197 N PRO A 592 -5.987 15.328 0.948 1.00 3.34 N ATOM 198 CA PRO A 592 -5.141 16.457 0.586 1.00 13.32 C ATOM 199 C PRO A 592 -4.158 16.798 1.709 1.00 32.50 C ATOM 200 O PRO A 592 -4.461 16.597 2.900 1.00 51.40 O ATOM 201 CB PRO A 592 -6.138 17.589 0.375 1.00 74.24 C ATOM 202 CG PRO A 592 -7.276 17.247 1.262 1.00 4.42 C ATOM 203 CD PRO A 592 -7.365 15.743 1.266 1.00 32.41 C ATOM 0 HA PRO A 592 -4.524 16.259 -0.291 1.00 13.32 H new ATOM 0 HB2 PRO A 592 -5.705 18.554 0.638 1.00 74.24 H new ATOM 0 HB3 PRO A 592 -6.452 17.654 -0.667 1.00 74.24 H new ATOM 0 HG2 PRO A 592 -7.114 17.631 2.269 1.00 4.42 H new ATOM 0 HG3 PRO A 592 -8.202 17.691 0.897 1.00 4.42 H new ATOM 0 HD2 PRO A 592 -7.688 15.361 2.234 1.00 32.41 H new ATOM 0 HD3 PRO A 592 -8.077 15.379 0.525 1.00 32.41 H new ATOM 211 N LEU A 593 -2.988 17.289 1.342 1.00 34.11 N ATOM 212 CA LEU A 593 -1.986 17.684 2.326 1.00 15.24 C ATOM 213 C LEU A 593 -2.377 19.000 2.982 1.00 31.21 C ATOM 214 O LEU A 593 -1.879 20.078 2.625 1.00 72.32 O ATOM 215 CB LEU A 593 -0.533 17.741 1.750 1.00 34.12 C ATOM 216 CG LEU A 593 0.212 16.397 1.469 1.00 24.11 C ATOM 217 CD1 LEU A 593 0.462 15.625 2.750 1.00 2.44 C ATOM 218 CD2 LEU A 593 -0.534 15.525 0.474 1.00 4.42 C ATOM 0 H LEU A 593 -2.705 17.425 0.372 1.00 34.11 H new ATOM 0 HA LEU A 593 -1.968 16.902 3.085 1.00 15.24 H new ATOM 0 HB2 LEU A 593 -0.569 18.301 0.816 1.00 34.12 H new ATOM 0 HB3 LEU A 593 0.076 18.319 2.445 1.00 34.12 H new ATOM 0 HG LEU A 593 1.172 16.663 1.027 1.00 24.11 H new ATOM 0 HD11 LEU A 593 0.982 14.695 2.519 1.00 2.44 H new ATOM 0 HD12 LEU A 593 1.074 16.225 3.423 1.00 2.44 H new ATOM 0 HD13 LEU A 593 -0.490 15.399 3.230 1.00 2.44 H new ATOM 0 HD21 LEU A 593 0.022 14.602 0.310 1.00 4.42 H new ATOM 0 HD22 LEU A 593 -1.523 15.288 0.867 1.00 4.42 H new ATOM 0 HD23 LEU A 593 -0.638 16.058 -0.471 1.00 4.42 H new ATOM 230 N ASN A 594 -3.318 18.907 3.888 1.00 70.00 N ATOM 231 CA ASN A 594 -3.851 20.082 4.570 1.00 34.30 C ATOM 232 C ASN A 594 -3.284 20.204 5.977 1.00 25.01 C ATOM 233 O ASN A 594 -2.389 20.998 6.225 1.00 51.51 O ATOM 234 CB ASN A 594 -5.390 20.038 4.629 1.00 41.10 C ATOM 235 CG ASN A 594 -5.991 21.290 5.259 1.00 35.15 C ATOM 236 OD1 ASN A 594 -5.444 22.388 5.136 1.00 63.54 O ATOM 237 ND2 ASN A 594 -7.092 21.137 5.942 1.00 63.44 N ATOM 0 H ASN A 594 -3.740 18.025 4.179 1.00 70.00 H new ATOM 0 HA ASN A 594 -3.548 20.957 3.995 1.00 34.30 H new ATOM 0 HB2 ASN A 594 -5.785 19.919 3.620 1.00 41.10 H new ATOM 0 HB3 ASN A 594 -5.703 19.163 5.199 1.00 41.10 H new ATOM 0 HD21 ASN A 594 -7.527 21.941 6.395 1.00 63.44 H new ATOM 0 HD22 ASN A 594 -7.518 20.214 6.023 1.00 63.44 H new ATOM 244 N ASP A 595 -3.772 19.367 6.880 1.00 5.34 N ATOM 245 CA ASP A 595 -3.364 19.372 8.308 1.00 63.22 C ATOM 246 C ASP A 595 -2.131 18.519 8.476 1.00 21.31 C ATOM 247 O ASP A 595 -1.780 18.102 9.590 1.00 52.01 O ATOM 248 CB ASP A 595 -4.480 18.754 9.163 1.00 41.03 C ATOM 249 CG ASP A 595 -5.803 19.436 9.003 1.00 21.55 C ATOM 250 OD1 ASP A 595 -6.540 19.083 8.076 1.00 73.03 O ATOM 251 OD2 ASP A 595 -6.127 20.338 9.814 1.00 31.44 O ATOM 0 H ASP A 595 -4.467 18.655 6.658 1.00 5.34 H new ATOM 0 HA ASP A 595 -3.169 20.399 8.618 1.00 63.22 H new ATOM 0 HB2 ASP A 595 -4.588 17.702 8.899 1.00 41.03 H new ATOM 0 HB3 ASP A 595 -4.186 18.791 10.212 1.00 41.03 H new ATOM 256 N SER A 596 -1.460 18.312 7.380 1.00 32.22 N ATOM 257 CA SER A 596 -0.356 17.407 7.251 1.00 71.32 C ATOM 258 C SER A 596 0.919 17.873 7.945 1.00 2.22 C ATOM 259 O SER A 596 1.939 17.182 7.900 1.00 54.34 O ATOM 260 CB SER A 596 -0.122 17.199 5.788 1.00 71.00 C ATOM 261 OG SER A 596 -1.346 16.824 5.172 1.00 55.54 O ATOM 0 H SER A 596 -1.680 18.794 6.509 1.00 32.22 H new ATOM 0 HA SER A 596 -0.615 16.476 7.756 1.00 71.32 H new ATOM 0 HB2 SER A 596 0.263 18.112 5.335 1.00 71.00 H new ATOM 0 HB3 SER A 596 0.630 16.425 5.633 1.00 71.00 H new ATOM 0 HG SER A 596 -1.638 15.958 5.525 1.00 55.54 H new ATOM 267 N GLY A 597 0.865 19.008 8.595 1.00 43.14 N ATOM 268 CA GLY A 597 2.023 19.478 9.279 1.00 44.31 C ATOM 269 C GLY A 597 2.123 18.844 10.647 1.00 35.02 C ATOM 270 O GLY A 597 3.213 18.665 11.185 1.00 62.13 O ATOM 0 H GLY A 597 0.043 19.608 8.660 1.00 43.14 H new ATOM 0 HA2 GLY A 597 2.915 19.246 8.698 1.00 44.31 H new ATOM 0 HA3 GLY A 597 1.980 20.563 9.377 1.00 44.31 H new ATOM 274 N SER A 598 0.978 18.507 11.209 1.00 63.15 N ATOM 275 CA SER A 598 0.923 17.862 12.500 1.00 75.05 C ATOM 276 C SER A 598 1.035 16.357 12.328 1.00 64.31 C ATOM 277 O SER A 598 1.824 15.680 12.997 1.00 14.31 O ATOM 278 CB SER A 598 -0.364 18.257 13.211 1.00 74.22 C ATOM 279 OG SER A 598 -0.456 19.677 13.294 1.00 3.42 O ATOM 0 H SER A 598 0.066 18.673 10.783 1.00 63.15 H new ATOM 0 HA SER A 598 1.761 18.187 13.117 1.00 75.05 H new ATOM 0 HB2 SER A 598 -1.224 17.859 12.673 1.00 74.22 H new ATOM 0 HB3 SER A 598 -0.385 17.823 14.211 1.00 74.22 H new ATOM 0 HG SER A 598 -1.287 19.925 13.751 1.00 3.42 H new ATOM 285 N ALA A 599 0.279 15.873 11.418 1.00 52.32 N ATOM 286 CA ALA A 599 0.247 14.507 11.025 1.00 24.41 C ATOM 287 C ALA A 599 -0.164 14.543 9.598 1.00 23.31 C ATOM 288 O ALA A 599 -1.017 15.352 9.245 1.00 42.25 O ATOM 289 CB ALA A 599 -0.745 13.711 11.865 1.00 55.13 C ATOM 0 H ALA A 599 -0.376 16.451 10.892 1.00 52.32 H new ATOM 0 HA ALA A 599 1.209 14.015 11.167 1.00 24.41 H new ATOM 0 HB1 ALA A 599 -0.745 12.671 11.539 1.00 55.13 H new ATOM 0 HB2 ALA A 599 -0.456 13.762 12.915 1.00 55.13 H new ATOM 0 HB3 ALA A 599 -1.744 14.130 11.742 1.00 55.13 H new ATOM 295 N GLY A 600 0.408 13.708 8.802 1.00 64.31 N ATOM 296 CA GLY A 600 0.219 13.773 7.362 1.00 23.11 C ATOM 297 C GLY A 600 -1.211 13.592 6.969 1.00 61.13 C ATOM 298 O GLY A 600 -1.813 14.450 6.315 1.00 63.11 O ATOM 0 H GLY A 600 1.022 12.955 9.112 1.00 64.31 H new ATOM 0 HA2 GLY A 600 0.576 14.735 6.994 1.00 23.11 H new ATOM 0 HA3 GLY A 600 0.825 13.004 6.883 1.00 23.11 H new ATOM 302 N LEU A 601 -1.747 12.506 7.360 1.00 62.55 N ATOM 303 CA LEU A 601 -3.113 12.202 7.106 1.00 21.22 C ATOM 304 C LEU A 601 -3.843 12.277 8.396 1.00 70.02 C ATOM 305 O LEU A 601 -5.001 12.737 8.469 1.00 23.45 O ATOM 306 CB LEU A 601 -3.257 10.790 6.524 1.00 11.40 C ATOM 307 CG LEU A 601 -2.729 10.542 5.103 1.00 61.41 C ATOM 308 CD1 LEU A 601 -1.238 10.728 5.001 1.00 60.32 C ATOM 309 CD2 LEU A 601 -3.094 9.167 4.667 1.00 43.52 C ATOM 0 H LEU A 601 -1.247 11.782 7.877 1.00 62.55 H new ATOM 0 HA LEU A 601 -3.518 12.911 6.384 1.00 21.22 H new ATOM 0 HB2 LEU A 601 -2.749 10.098 7.195 1.00 11.40 H new ATOM 0 HB3 LEU A 601 -4.315 10.529 6.538 1.00 11.40 H new ATOM 0 HG LEU A 601 -3.193 11.281 4.450 1.00 61.41 H new ATOM 0 HD11 LEU A 601 -0.917 10.541 3.976 1.00 60.32 H new ATOM 0 HD12 LEU A 601 -0.979 11.749 5.282 1.00 60.32 H new ATOM 0 HD13 LEU A 601 -0.737 10.029 5.671 1.00 60.32 H new ATOM 0 HD21 LEU A 601 -2.718 8.993 3.659 1.00 43.52 H new ATOM 0 HD22 LEU A 601 -2.653 8.440 5.349 1.00 43.52 H new ATOM 0 HD23 LEU A 601 -4.179 9.059 4.674 1.00 43.52 H new ATOM 321 N GLY A 602 -3.154 11.846 9.418 1.00 1.54 N ATOM 322 CA GLY A 602 -3.688 11.788 10.689 1.00 73.11 C ATOM 323 C GLY A 602 -4.352 10.475 10.874 1.00 5.42 C ATOM 324 O GLY A 602 -5.522 10.392 11.236 1.00 12.23 O ATOM 0 H GLY A 602 -2.188 11.526 9.355 1.00 1.54 H new ATOM 0 HA2 GLY A 602 -2.903 11.921 11.434 1.00 73.11 H new ATOM 0 HA3 GLY A 602 -4.405 12.596 10.833 1.00 73.11 H new ATOM 328 N VAL A 603 -3.635 9.426 10.563 1.00 23.41 N ATOM 329 CA VAL A 603 -4.127 8.113 10.812 1.00 64.30 C ATOM 330 C VAL A 603 -3.042 7.377 11.535 1.00 42.33 C ATOM 331 O VAL A 603 -1.856 7.672 11.356 1.00 51.21 O ATOM 332 CB VAL A 603 -4.443 7.339 9.484 1.00 44.30 C ATOM 333 CG1 VAL A 603 -5.159 6.038 9.756 1.00 24.44 C ATOM 334 CG2 VAL A 603 -5.219 8.183 8.495 1.00 24.03 C ATOM 0 H VAL A 603 -2.709 9.465 10.137 1.00 23.41 H new ATOM 0 HA VAL A 603 -5.052 8.180 11.385 1.00 64.30 H new ATOM 0 HB VAL A 603 -3.481 7.108 9.027 1.00 44.30 H new ATOM 0 HG11 VAL A 603 -5.361 5.530 8.813 1.00 24.44 H new ATOM 0 HG12 VAL A 603 -4.534 5.403 10.384 1.00 24.44 H new ATOM 0 HG13 VAL A 603 -6.100 6.241 10.268 1.00 24.44 H new ATOM 0 HG21 VAL A 603 -5.412 7.602 7.593 1.00 24.03 H new ATOM 0 HG22 VAL A 603 -6.166 8.487 8.941 1.00 24.03 H new ATOM 0 HG23 VAL A 603 -4.638 9.069 8.238 1.00 24.03 H new ATOM 344 N SER A 604 -3.408 6.449 12.339 1.00 63.23 N ATOM 345 CA SER A 604 -2.480 5.642 12.964 1.00 62.21 C ATOM 346 C SER A 604 -2.690 4.240 12.457 1.00 21.43 C ATOM 347 O SER A 604 -3.786 3.688 12.553 1.00 22.52 O ATOM 348 CB SER A 604 -2.661 5.731 14.467 1.00 3.11 C ATOM 349 OG SER A 604 -2.553 7.080 14.896 1.00 3.33 O ATOM 0 H SER A 604 -4.379 6.241 12.572 1.00 63.23 H new ATOM 0 HA SER A 604 -1.460 5.957 12.744 1.00 62.21 H new ATOM 0 HB2 SER A 604 -3.635 5.330 14.747 1.00 3.11 H new ATOM 0 HB3 SER A 604 -1.909 5.121 14.968 1.00 3.11 H new ATOM 0 HG SER A 604 -2.673 7.125 15.868 1.00 3.33 H new ATOM 355 N VAL A 605 -1.660 3.664 11.941 1.00 21.02 N ATOM 356 CA VAL A 605 -1.732 2.341 11.387 1.00 42.32 C ATOM 357 C VAL A 605 -0.761 1.446 12.080 1.00 64.44 C ATOM 358 O VAL A 605 0.094 1.904 12.844 1.00 3.15 O ATOM 359 CB VAL A 605 -1.442 2.301 9.844 1.00 61.35 C ATOM 360 CG1 VAL A 605 -2.607 2.821 9.029 1.00 14.43 C ATOM 361 CG2 VAL A 605 -0.195 3.117 9.504 1.00 31.03 C ATOM 0 H VAL A 605 -0.736 4.093 11.887 1.00 21.02 H new ATOM 0 HA VAL A 605 -2.756 1.999 11.540 1.00 42.32 H new ATOM 0 HB VAL A 605 -1.282 1.254 9.587 1.00 61.35 H new ATOM 0 HG11 VAL A 605 -2.359 2.774 7.969 1.00 14.43 H new ATOM 0 HG12 VAL A 605 -3.488 2.210 9.223 1.00 14.43 H new ATOM 0 HG13 VAL A 605 -2.813 3.854 9.307 1.00 14.43 H new ATOM 0 HG21 VAL A 605 -0.014 3.075 8.430 1.00 31.03 H new ATOM 0 HG22 VAL A 605 -0.345 4.154 9.806 1.00 31.03 H new ATOM 0 HG23 VAL A 605 0.665 2.706 10.033 1.00 31.03 H new ATOM 371 N LYS A 606 -0.934 0.205 11.888 1.00 13.23 N ATOM 372 CA LYS A 606 -0.067 -0.778 12.434 1.00 3.34 C ATOM 373 C LYS A 606 -0.032 -1.954 11.517 1.00 24.22 C ATOM 374 O LYS A 606 -0.982 -2.208 10.819 1.00 51.04 O ATOM 375 CB LYS A 606 -0.493 -1.250 13.843 1.00 45.11 C ATOM 376 CG LYS A 606 -1.793 -2.057 13.883 1.00 21.40 C ATOM 377 CD LYS A 606 -1.598 -3.376 14.646 1.00 63.42 C ATOM 378 CE LYS A 606 -1.219 -3.138 16.094 1.00 75.25 C ATOM 379 NZ LYS A 606 -0.940 -4.394 16.833 1.00 40.00 N ATOM 0 H LYS A 606 -1.700 -0.178 11.334 1.00 13.23 H new ATOM 0 HA LYS A 606 0.917 -0.320 12.534 1.00 3.34 H new ATOM 0 HB2 LYS A 606 0.308 -1.857 14.265 1.00 45.11 H new ATOM 0 HB3 LYS A 606 -0.604 -0.377 14.485 1.00 45.11 H new ATOM 0 HG2 LYS A 606 -2.576 -1.468 14.361 1.00 21.40 H new ATOM 0 HG3 LYS A 606 -2.127 -2.266 12.867 1.00 21.40 H new ATOM 0 HD2 LYS A 606 -2.517 -3.960 14.602 1.00 63.42 H new ATOM 0 HD3 LYS A 606 -0.821 -3.966 14.159 1.00 63.42 H new ATOM 0 HE2 LYS A 606 -0.339 -2.497 16.133 1.00 75.25 H new ATOM 0 HE3 LYS A 606 -2.027 -2.601 16.592 1.00 75.25 H new ATOM 0 HZ1 LYS A 606 -1.136 -4.252 17.845 1.00 40.00 H new ATOM 0 HZ2 LYS A 606 -1.547 -5.155 16.466 1.00 40.00 H new ATOM 0 HZ3 LYS A 606 0.058 -4.656 16.707 1.00 40.00 H new ATOM 393 N GLY A 607 1.030 -2.640 11.511 1.00 52.42 N ATOM 394 CA GLY A 607 1.110 -3.811 10.749 1.00 54.40 C ATOM 395 C GLY A 607 1.154 -4.969 11.636 1.00 34.52 C ATOM 396 O GLY A 607 2.130 -5.174 12.330 1.00 33.51 O ATOM 0 H GLY A 607 1.873 -2.407 12.035 1.00 52.42 H new ATOM 0 HA2 GLY A 607 0.250 -3.883 10.083 1.00 54.40 H new ATOM 0 HA3 GLY A 607 2.000 -3.788 10.120 1.00 54.40 H new ATOM 400 N ASN A 608 0.118 -5.732 11.632 1.00 11.12 N ATOM 401 CA ASN A 608 0.057 -6.841 12.515 1.00 12.24 C ATOM 402 C ASN A 608 0.549 -8.075 11.804 1.00 32.34 C ATOM 403 O ASN A 608 0.233 -8.311 10.628 1.00 12.43 O ATOM 404 CB ASN A 608 -1.360 -7.052 13.038 1.00 3.42 C ATOM 405 CG ASN A 608 -1.433 -8.072 14.172 1.00 3.31 C ATOM 406 OD1 ASN A 608 -2.432 -8.778 14.320 1.00 11.23 O ATOM 407 ND2 ASN A 608 -0.410 -8.128 15.010 1.00 54.44 N ATOM 0 H ASN A 608 -0.696 -5.609 11.029 1.00 11.12 H new ATOM 0 HA ASN A 608 0.697 -6.640 13.374 1.00 12.24 H new ATOM 0 HB2 ASN A 608 -1.758 -6.099 13.388 1.00 3.42 H new ATOM 0 HB3 ASN A 608 -1.998 -7.382 12.218 1.00 3.42 H new ATOM 0 HD21 ASN A 608 -0.435 -8.768 15.804 1.00 54.44 H new ATOM 0 HD22 ASN A 608 0.404 -7.531 14.862 1.00 54.44 H new ATOM 414 N ARG A 609 1.346 -8.805 12.471 1.00 74.53 N ATOM 415 CA ARG A 609 1.885 -10.016 11.971 1.00 50.31 C ATOM 416 C ARG A 609 1.329 -11.153 12.781 1.00 61.14 C ATOM 417 O ARG A 609 1.043 -10.982 13.972 1.00 60.12 O ATOM 418 CB ARG A 609 3.410 -9.972 12.107 1.00 72.24 C ATOM 419 CG ARG A 609 4.136 -11.211 11.616 1.00 13.11 C ATOM 420 CD ARG A 609 5.628 -11.100 11.851 1.00 21.51 C ATOM 421 NE ARG A 609 5.945 -10.930 13.274 1.00 21.23 N ATOM 422 CZ ARG A 609 7.173 -10.933 13.797 1.00 44.21 C ATOM 423 NH1 ARG A 609 8.234 -11.147 13.026 1.00 53.22 N ATOM 424 NH2 ARG A 609 7.332 -10.727 15.091 1.00 61.01 N ATOM 0 H ARG A 609 1.658 -8.575 13.415 1.00 74.53 H new ATOM 0 HA ARG A 609 1.623 -10.152 10.922 1.00 50.31 H new ATOM 0 HB2 ARG A 609 3.784 -9.109 11.556 1.00 72.24 H new ATOM 0 HB3 ARG A 609 3.661 -9.814 13.156 1.00 72.24 H new ATOM 0 HG2 ARG A 609 3.749 -12.091 12.130 1.00 13.11 H new ATOM 0 HG3 ARG A 609 3.942 -11.352 10.553 1.00 13.11 H new ATOM 0 HD2 ARG A 609 6.123 -11.994 11.473 1.00 21.51 H new ATOM 0 HD3 ARG A 609 6.023 -10.255 11.287 1.00 21.51 H new ATOM 0 HE ARG A 609 5.163 -10.799 13.916 1.00 21.23 H new ATOM 0 HH11 ARG A 609 8.113 -11.311 12.026 1.00 53.22 H new ATOM 0 HH12 ARG A 609 9.169 -11.148 13.434 1.00 53.22 H new ATOM 0 HH21 ARG A 609 6.519 -10.567 15.686 1.00 61.01 H new ATOM 0 HH22 ARG A 609 8.268 -10.728 15.496 1.00 61.01 H new ATOM 438 N SER A 610 1.121 -12.283 12.148 1.00 21.13 N ATOM 439 CA SER A 610 0.747 -13.475 12.859 1.00 33.13 C ATOM 440 C SER A 610 1.895 -13.808 13.816 1.00 13.35 C ATOM 441 O SER A 610 2.993 -14.180 13.381 1.00 3.11 O ATOM 442 CB SER A 610 0.497 -14.609 11.871 1.00 3.24 C ATOM 443 OG SER A 610 -0.509 -14.244 10.942 1.00 62.24 O ATOM 0 H SER A 610 1.206 -12.399 11.138 1.00 21.13 H new ATOM 0 HA SER A 610 -0.175 -13.331 13.423 1.00 33.13 H new ATOM 0 HB2 SER A 610 1.419 -14.848 11.342 1.00 3.24 H new ATOM 0 HB3 SER A 610 0.195 -15.508 12.409 1.00 3.24 H new ATOM 0 HG SER A 610 -0.657 -14.981 10.314 1.00 62.24 H new ATOM 518 N ALA A 615 3.873 -14.780 9.568 1.00 3.44 N ATOM 519 CA ALA A 615 3.413 -14.241 8.307 1.00 1.04 C ATOM 520 C ALA A 615 2.667 -12.973 8.620 1.00 65.21 C ATOM 521 O ALA A 615 2.082 -12.866 9.689 1.00 50.11 O ATOM 522 CB ALA A 615 2.502 -15.232 7.605 1.00 31.23 C ATOM 0 HA ALA A 615 4.253 -14.044 7.641 1.00 1.04 H new ATOM 0 HB1 ALA A 615 2.166 -14.809 6.658 1.00 31.23 H new ATOM 0 HB2 ALA A 615 3.047 -16.157 7.416 1.00 31.23 H new ATOM 0 HB3 ALA A 615 1.638 -15.442 8.236 1.00 31.23 H new ATOM 528 N ASP A 616 2.680 -12.021 7.745 1.00 4.52 N ATOM 529 CA ASP A 616 2.038 -10.766 8.037 1.00 45.11 C ATOM 530 C ASP A 616 0.568 -10.837 7.744 1.00 63.53 C ATOM 531 O ASP A 616 0.104 -11.681 6.959 1.00 55.24 O ATOM 532 CB ASP A 616 2.651 -9.617 7.246 1.00 64.02 C ATOM 533 CG ASP A 616 2.429 -9.746 5.763 1.00 1.43 C ATOM 534 OD1 ASP A 616 3.208 -10.459 5.112 1.00 3.43 O ATOM 535 OD2 ASP A 616 1.472 -9.138 5.238 1.00 40.31 O ATOM 0 H ASP A 616 3.122 -12.080 6.828 1.00 4.52 H new ATOM 0 HA ASP A 616 2.190 -10.575 9.099 1.00 45.11 H new ATOM 0 HB2 ASP A 616 2.224 -8.675 7.592 1.00 64.02 H new ATOM 0 HB3 ASP A 616 3.722 -9.575 7.446 1.00 64.02 H new ATOM 540 N LEU A 617 -0.161 -9.994 8.403 1.00 43.14 N ATOM 541 CA LEU A 617 -1.557 -9.843 8.145 1.00 52.01 C ATOM 542 C LEU A 617 -1.741 -8.622 7.262 1.00 24.12 C ATOM 543 O LEU A 617 -2.785 -8.440 6.628 1.00 63.40 O ATOM 544 CB LEU A 617 -2.319 -9.684 9.463 1.00 11.53 C ATOM 545 CG LEU A 617 -2.225 -10.856 10.437 1.00 44.11 C ATOM 546 CD1 LEU A 617 -3.028 -10.575 11.687 1.00 10.25 C ATOM 547 CD2 LEU A 617 -2.692 -12.142 9.778 1.00 73.25 C ATOM 0 H LEU A 617 0.198 -9.387 9.140 1.00 43.14 H new ATOM 0 HA LEU A 617 -1.951 -10.725 7.640 1.00 52.01 H new ATOM 0 HB2 LEU A 617 -1.952 -8.789 9.966 1.00 11.53 H new ATOM 0 HB3 LEU A 617 -3.371 -9.512 9.233 1.00 11.53 H new ATOM 0 HG LEU A 617 -1.180 -10.980 10.722 1.00 44.11 H new ATOM 0 HD11 LEU A 617 -2.948 -11.422 12.369 1.00 10.25 H new ATOM 0 HD12 LEU A 617 -2.642 -9.680 12.174 1.00 10.25 H new ATOM 0 HD13 LEU A 617 -4.074 -10.421 11.421 1.00 10.25 H new ATOM 0 HD21 LEU A 617 -2.617 -12.964 10.490 1.00 73.25 H new ATOM 0 HD22 LEU A 617 -3.729 -12.032 9.459 1.00 73.25 H new ATOM 0 HD23 LEU A 617 -2.067 -12.354 8.911 1.00 73.25 H new ATOM 559 N GLY A 618 -0.693 -7.816 7.207 1.00 22.34 N ATOM 560 CA GLY A 618 -0.710 -6.595 6.430 1.00 75.13 C ATOM 561 C GLY A 618 -0.502 -5.366 7.295 1.00 75.00 C ATOM 562 O GLY A 618 0.159 -5.439 8.335 1.00 53.30 O ATOM 0 H GLY A 618 0.185 -7.991 7.696 1.00 22.34 H new ATOM 0 HA2 GLY A 618 0.070 -6.639 5.669 1.00 75.13 H new ATOM 0 HA3 GLY A 618 -1.662 -6.512 5.906 1.00 75.13 H new ATOM 566 N ILE A 619 -1.080 -4.254 6.879 1.00 55.21 N ATOM 567 CA ILE A 619 -0.997 -2.980 7.583 1.00 63.01 C ATOM 568 C ILE A 619 -2.419 -2.490 7.751 1.00 61.45 C ATOM 569 O ILE A 619 -3.153 -2.384 6.774 1.00 14.22 O ATOM 570 CB ILE A 619 -0.187 -1.914 6.770 1.00 65.34 C ATOM 571 CG1 ILE A 619 1.244 -2.403 6.472 1.00 42.15 C ATOM 572 CG2 ILE A 619 -0.136 -0.581 7.516 1.00 20.34 C ATOM 573 CD1 ILE A 619 2.079 -2.718 7.706 1.00 1.45 C ATOM 0 H ILE A 619 -1.633 -4.207 6.023 1.00 55.21 H new ATOM 0 HA ILE A 619 -0.485 -3.119 8.535 1.00 63.01 H new ATOM 0 HB ILE A 619 -0.705 -1.768 5.822 1.00 65.34 H new ATOM 0 HG12 ILE A 619 1.186 -3.297 5.851 1.00 42.15 H new ATOM 0 HG13 ILE A 619 1.759 -1.641 5.886 1.00 42.15 H new ATOM 0 HG21 ILE A 619 0.432 0.142 6.931 1.00 20.34 H new ATOM 0 HG22 ILE A 619 -1.150 -0.210 7.667 1.00 20.34 H new ATOM 0 HG23 ILE A 619 0.346 -0.724 8.483 1.00 20.34 H new ATOM 0 HD11 ILE A 619 3.069 -3.054 7.399 1.00 1.45 H new ATOM 0 HD12 ILE A 619 2.174 -1.822 8.319 1.00 1.45 H new ATOM 0 HD13 ILE A 619 1.592 -3.503 8.284 1.00 1.45 H new ATOM 585 N PHE A 620 -2.797 -2.190 8.953 1.00 72.44 N ATOM 586 CA PHE A 620 -4.156 -1.845 9.253 1.00 33.41 C ATOM 587 C PHE A 620 -4.231 -0.562 10.017 1.00 22.22 C ATOM 588 O PHE A 620 -3.339 -0.240 10.793 1.00 71.42 O ATOM 589 CB PHE A 620 -4.776 -2.914 10.139 1.00 20.51 C ATOM 590 CG PHE A 620 -4.679 -4.296 9.619 1.00 20.43 C ATOM 591 CD1 PHE A 620 -5.641 -4.795 8.758 1.00 2.33 C ATOM 592 CD2 PHE A 620 -3.624 -5.114 10.007 1.00 22.33 C ATOM 593 CE1 PHE A 620 -5.554 -6.081 8.290 1.00 71.31 C ATOM 594 CE2 PHE A 620 -3.540 -6.397 9.542 1.00 2.51 C ATOM 595 CZ PHE A 620 -4.506 -6.885 8.683 1.00 41.34 C ATOM 0 H PHE A 620 -2.172 -2.176 9.759 1.00 72.44 H new ATOM 0 HA PHE A 620 -4.682 -1.753 8.303 1.00 33.41 H new ATOM 0 HB2 PHE A 620 -4.296 -2.876 11.117 1.00 20.51 H new ATOM 0 HB3 PHE A 620 -5.828 -2.673 10.291 1.00 20.51 H new ATOM 0 HD1 PHE A 620 -6.465 -4.168 8.453 1.00 2.33 H new ATOM 0 HD2 PHE A 620 -2.868 -4.735 10.678 1.00 22.33 H new ATOM 0 HE1 PHE A 620 -6.305 -6.463 7.615 1.00 71.31 H new ATOM 0 HE2 PHE A 620 -2.719 -7.029 9.846 1.00 2.51 H new ATOM 0 HZ PHE A 620 -4.440 -7.899 8.319 1.00 41.34 H new ATOM 605 N VAL A 621 -5.273 0.168 9.788 1.00 0.42 N ATOM 606 CA VAL A 621 -5.575 1.344 10.577 1.00 53.11 C ATOM 607 C VAL A 621 -5.999 0.892 11.973 1.00 13.20 C ATOM 608 O VAL A 621 -6.824 -0.011 12.100 1.00 64.10 O ATOM 609 CB VAL A 621 -6.747 2.132 9.950 1.00 11.01 C ATOM 610 CG1 VAL A 621 -7.087 3.349 10.776 1.00 60.53 C ATOM 611 CG2 VAL A 621 -6.436 2.526 8.522 1.00 62.44 C ATOM 0 H VAL A 621 -5.949 -0.025 9.049 1.00 0.42 H new ATOM 0 HA VAL A 621 -4.692 1.982 10.616 1.00 53.11 H new ATOM 0 HB VAL A 621 -7.618 1.476 9.939 1.00 11.01 H new ATOM 0 HG11 VAL A 621 -7.915 3.884 10.311 1.00 60.53 H new ATOM 0 HG12 VAL A 621 -7.374 3.038 11.781 1.00 60.53 H new ATOM 0 HG13 VAL A 621 -6.218 4.004 10.833 1.00 60.53 H new ATOM 0 HG21 VAL A 621 -7.278 3.079 8.106 1.00 62.44 H new ATOM 0 HG22 VAL A 621 -5.545 3.153 8.504 1.00 62.44 H new ATOM 0 HG23 VAL A 621 -6.261 1.630 7.927 1.00 62.44 H new ATOM 621 N LYS A 622 -5.435 1.465 13.015 1.00 53.44 N ATOM 622 CA LYS A 622 -5.900 1.079 14.335 1.00 24.40 C ATOM 623 C LYS A 622 -6.652 2.213 14.989 1.00 30.43 C ATOM 624 O LYS A 622 -7.548 1.992 15.791 1.00 3.11 O ATOM 625 CB LYS A 622 -4.800 0.554 15.284 1.00 55.23 C ATOM 626 CG LYS A 622 -3.866 1.551 15.896 1.00 74.53 C ATOM 627 CD LYS A 622 -2.721 1.928 15.049 1.00 74.21 C ATOM 628 CE LYS A 622 -1.811 2.734 15.908 1.00 64.34 C ATOM 629 NZ LYS A 622 -0.592 3.196 15.213 1.00 1.52 N ATOM 0 H LYS A 622 -4.693 2.164 12.985 1.00 53.44 H new ATOM 0 HA LYS A 622 -6.567 0.234 14.162 1.00 24.40 H new ATOM 0 HB2 LYS A 622 -5.288 0.013 16.094 1.00 55.23 H new ATOM 0 HB3 LYS A 622 -4.201 -0.170 14.732 1.00 55.23 H new ATOM 0 HG2 LYS A 622 -4.429 2.451 16.143 1.00 74.53 H new ATOM 0 HG3 LYS A 622 -3.488 1.145 16.834 1.00 74.53 H new ATOM 0 HD2 LYS A 622 -2.212 1.043 14.667 1.00 74.21 H new ATOM 0 HD3 LYS A 622 -3.050 2.504 14.184 1.00 74.21 H new ATOM 0 HE2 LYS A 622 -2.354 3.601 16.284 1.00 64.34 H new ATOM 0 HE3 LYS A 622 -1.521 2.139 16.774 1.00 64.34 H new ATOM 0 HZ1 LYS A 622 0.010 3.721 15.879 1.00 1.52 H new ATOM 0 HZ2 LYS A 622 -0.069 2.375 14.847 1.00 1.52 H new ATOM 0 HZ3 LYS A 622 -0.857 3.818 14.423 1.00 1.52 H new ATOM 643 N SER A 623 -6.268 3.418 14.669 1.00 72.54 N ATOM 644 CA SER A 623 -6.902 4.573 15.203 1.00 41.21 C ATOM 645 C SER A 623 -6.841 5.719 14.212 1.00 52.21 C ATOM 646 O SER A 623 -5.830 5.908 13.521 1.00 75.20 O ATOM 647 CB SER A 623 -6.285 4.936 16.568 1.00 65.14 C ATOM 648 OG SER A 623 -4.863 5.005 16.493 1.00 50.42 O ATOM 0 H SER A 623 -5.502 3.618 14.026 1.00 72.54 H new ATOM 0 HA SER A 623 -7.957 4.360 15.374 1.00 41.21 H new ATOM 0 HB2 SER A 623 -6.680 5.894 16.905 1.00 65.14 H new ATOM 0 HB3 SER A 623 -6.576 4.193 17.310 1.00 65.14 H new ATOM 0 HG SER A 623 -4.500 5.239 17.373 1.00 50.42 H new ATOM 654 N ILE A 624 -7.919 6.424 14.091 1.00 43.41 N ATOM 655 CA ILE A 624 -7.972 7.580 13.251 1.00 0.22 C ATOM 656 C ILE A 624 -7.704 8.794 14.097 1.00 44.03 C ATOM 657 O ILE A 624 -8.181 8.881 15.247 1.00 3.11 O ATOM 658 CB ILE A 624 -9.366 7.733 12.511 1.00 2.03 C ATOM 659 CG1 ILE A 624 -9.588 6.628 11.467 1.00 1.32 C ATOM 660 CG2 ILE A 624 -9.513 9.099 11.845 1.00 41.23 C ATOM 661 CD1 ILE A 624 -9.720 5.231 12.001 1.00 72.02 C ATOM 0 H ILE A 624 -8.793 6.214 14.574 1.00 43.41 H new ATOM 0 HA ILE A 624 -7.216 7.471 12.473 1.00 0.22 H new ATOM 0 HB ILE A 624 -10.127 7.639 13.285 1.00 2.03 H new ATOM 0 HG12 ILE A 624 -10.489 6.866 10.902 1.00 1.32 H new ATOM 0 HG13 ILE A 624 -8.756 6.649 10.763 1.00 1.32 H new ATOM 0 HG21 ILE A 624 -10.482 9.160 11.350 1.00 41.23 H new ATOM 0 HG22 ILE A 624 -9.441 9.882 12.600 1.00 41.23 H new ATOM 0 HG23 ILE A 624 -8.721 9.232 11.108 1.00 41.23 H new ATOM 0 HD11 ILE A 624 -9.873 4.538 11.174 1.00 72.02 H new ATOM 0 HD12 ILE A 624 -8.811 4.959 12.538 1.00 72.02 H new ATOM 0 HD13 ILE A 624 -10.572 5.180 12.679 1.00 72.02 H new ATOM 673 N ILE A 625 -6.925 9.698 13.586 1.00 71.31 N ATOM 674 CA ILE A 625 -6.688 10.920 14.279 1.00 14.43 C ATOM 675 C ILE A 625 -7.775 11.879 13.840 1.00 15.10 C ATOM 676 O ILE A 625 -7.807 12.320 12.687 1.00 41.30 O ATOM 677 CB ILE A 625 -5.262 11.482 13.960 1.00 75.04 C ATOM 678 CG1 ILE A 625 -4.195 10.480 14.448 1.00 15.41 C ATOM 679 CG2 ILE A 625 -5.058 12.838 14.604 1.00 34.31 C ATOM 680 CD1 ILE A 625 -2.761 10.865 14.122 1.00 12.43 C ATOM 0 H ILE A 625 -6.444 9.609 12.691 1.00 71.31 H new ATOM 0 HA ILE A 625 -6.718 10.772 15.358 1.00 14.43 H new ATOM 0 HB ILE A 625 -5.165 11.611 12.882 1.00 75.04 H new ATOM 0 HG12 ILE A 625 -4.289 10.368 15.528 1.00 15.41 H new ATOM 0 HG13 ILE A 625 -4.404 9.505 14.007 1.00 15.41 H new ATOM 0 HG21 ILE A 625 -4.060 13.207 14.367 1.00 34.31 H new ATOM 0 HG22 ILE A 625 -5.803 13.537 14.224 1.00 34.31 H new ATOM 0 HG23 ILE A 625 -5.164 12.747 15.685 1.00 34.31 H new ATOM 0 HD11 ILE A 625 -2.083 10.101 14.504 1.00 12.43 H new ATOM 0 HD12 ILE A 625 -2.643 10.947 13.042 1.00 12.43 H new ATOM 0 HD13 ILE A 625 -2.527 11.823 14.586 1.00 12.43 H new ATOM 692 N ASN A 626 -8.664 12.192 14.748 1.00 24.25 N ATOM 693 CA ASN A 626 -9.808 13.008 14.425 1.00 31.45 C ATOM 694 C ASN A 626 -9.455 14.449 14.411 1.00 40.20 C ATOM 695 O ASN A 626 -9.192 15.061 15.452 1.00 75.14 O ATOM 696 CB ASN A 626 -11.017 12.721 15.326 1.00 65.23 C ATOM 697 CG ASN A 626 -11.572 11.318 15.123 1.00 1.42 C ATOM 698 OD1 ASN A 626 -12.426 11.096 14.264 1.00 13.33 O ATOM 699 ND2 ASN A 626 -11.115 10.373 15.909 1.00 5.53 N ATOM 0 H ASN A 626 -8.617 11.893 15.722 1.00 24.25 H new ATOM 0 HA ASN A 626 -10.115 12.733 13.416 1.00 31.45 H new ATOM 0 HB2 ASN A 626 -10.727 12.847 16.369 1.00 65.23 H new ATOM 0 HB3 ASN A 626 -11.800 13.451 15.122 1.00 65.23 H new ATOM 0 HD21 ASN A 626 -11.467 9.420 15.819 1.00 5.53 H new ATOM 0 HD22 ASN A 626 -10.407 10.591 16.610 1.00 5.53 H new ATOM 706 N GLY A 627 -9.435 14.983 13.231 1.00 1.30 N ATOM 707 CA GLY A 627 -9.057 16.339 13.028 1.00 1.13 C ATOM 708 C GLY A 627 -8.228 16.464 11.786 1.00 64.32 C ATOM 709 O GLY A 627 -8.229 17.500 11.137 1.00 54.34 O ATOM 0 H GLY A 627 -9.683 14.484 12.377 1.00 1.30 H new ATOM 0 HA2 GLY A 627 -9.946 16.964 12.945 1.00 1.13 H new ATOM 0 HA3 GLY A 627 -8.493 16.700 13.888 1.00 1.13 H new ATOM 713 N GLY A 628 -7.538 15.383 11.445 1.00 13.23 N ATOM 714 CA GLY A 628 -6.688 15.369 10.269 1.00 11.30 C ATOM 715 C GLY A 628 -7.485 15.349 8.972 1.00 43.20 C ATOM 716 O GLY A 628 -8.707 15.117 8.981 1.00 41.33 O ATOM 0 H GLY A 628 -7.552 14.507 11.968 1.00 13.23 H new ATOM 0 HA2 GLY A 628 -6.042 16.247 10.281 1.00 11.30 H new ATOM 0 HA3 GLY A 628 -6.038 14.495 10.305 1.00 11.30 H new ATOM 720 N ALA A 629 -6.806 15.554 7.867 1.00 73.55 N ATOM 721 CA ALA A 629 -7.445 15.611 6.559 1.00 73.42 C ATOM 722 C ALA A 629 -8.053 14.269 6.164 1.00 14.14 C ATOM 723 O ALA A 629 -9.098 14.221 5.513 1.00 70.21 O ATOM 724 CB ALA A 629 -6.468 16.114 5.513 1.00 53.52 C ATOM 0 H ALA A 629 -5.795 15.687 7.842 1.00 73.55 H new ATOM 0 HA ALA A 629 -8.271 16.320 6.620 1.00 73.42 H new ATOM 0 HB1 ALA A 629 -6.962 16.150 4.542 1.00 53.52 H new ATOM 0 HB2 ALA A 629 -6.127 17.113 5.784 1.00 53.52 H new ATOM 0 HB3 ALA A 629 -5.613 15.440 5.460 1.00 53.52 H new ATOM 730 N ALA A 630 -7.424 13.179 6.589 1.00 20.33 N ATOM 731 CA ALA A 630 -7.943 11.847 6.285 1.00 60.12 C ATOM 732 C ALA A 630 -9.166 11.583 7.098 1.00 41.44 C ATOM 733 O ALA A 630 -10.046 10.820 6.706 1.00 15.43 O ATOM 734 CB ALA A 630 -6.905 10.783 6.540 1.00 72.15 C ATOM 0 H ALA A 630 -6.565 13.188 7.138 1.00 20.33 H new ATOM 0 HA ALA A 630 -8.200 11.814 5.226 1.00 60.12 H new ATOM 0 HB1 ALA A 630 -7.322 9.804 6.304 1.00 72.15 H new ATOM 0 HB2 ALA A 630 -6.033 10.967 5.912 1.00 72.15 H new ATOM 0 HB3 ALA A 630 -6.608 10.808 7.589 1.00 72.15 H new ATOM 740 N SER A 631 -9.222 12.232 8.209 1.00 54.01 N ATOM 741 CA SER A 631 -10.325 12.108 9.105 1.00 11.34 C ATOM 742 C SER A 631 -11.523 12.865 8.542 1.00 35.43 C ATOM 743 O SER A 631 -12.601 12.300 8.393 1.00 70.30 O ATOM 744 CB SER A 631 -9.937 12.634 10.492 1.00 42.43 C ATOM 745 OG SER A 631 -11.001 12.530 11.421 1.00 32.55 O ATOM 0 H SER A 631 -8.495 12.873 8.527 1.00 54.01 H new ATOM 0 HA SER A 631 -10.598 11.058 9.210 1.00 11.34 H new ATOM 0 HB2 SER A 631 -9.077 12.076 10.863 1.00 42.43 H new ATOM 0 HB3 SER A 631 -9.629 13.676 10.410 1.00 42.43 H new ATOM 0 HG SER A 631 -11.336 13.425 11.637 1.00 32.55 H new ATOM 751 N LYS A 632 -11.317 14.126 8.190 1.00 33.23 N ATOM 752 CA LYS A 632 -12.402 14.959 7.695 1.00 63.41 C ATOM 753 C LYS A 632 -12.884 14.524 6.309 1.00 61.15 C ATOM 754 O LYS A 632 -14.089 14.318 6.099 1.00 0.33 O ATOM 755 CB LYS A 632 -11.961 16.431 7.637 1.00 44.41 C ATOM 756 CG LYS A 632 -11.608 17.061 8.982 1.00 4.13 C ATOM 757 CD LYS A 632 -12.810 17.139 9.910 1.00 20.25 C ATOM 758 CE LYS A 632 -12.450 17.836 11.213 1.00 54.53 C ATOM 759 NZ LYS A 632 -13.610 17.957 12.125 1.00 71.40 N ATOM 0 H LYS A 632 -10.411 14.593 8.238 1.00 33.23 H new ATOM 0 HA LYS A 632 -13.232 14.843 8.392 1.00 63.41 H new ATOM 0 HB2 LYS A 632 -11.094 16.508 6.980 1.00 44.41 H new ATOM 0 HB3 LYS A 632 -12.760 17.015 7.180 1.00 44.41 H new ATOM 0 HG2 LYS A 632 -10.820 16.479 9.459 1.00 4.13 H new ATOM 0 HG3 LYS A 632 -11.210 18.063 8.819 1.00 4.13 H new ATOM 0 HD2 LYS A 632 -13.620 17.677 9.417 1.00 20.25 H new ATOM 0 HD3 LYS A 632 -13.177 16.134 10.120 1.00 20.25 H new ATOM 0 HE2 LYS A 632 -11.655 17.281 11.712 1.00 54.53 H new ATOM 0 HE3 LYS A 632 -12.057 18.829 10.995 1.00 54.53 H new ATOM 0 HZ1 LYS A 632 -13.316 18.438 12.999 1.00 71.40 H new ATOM 0 HZ2 LYS A 632 -14.360 18.509 11.662 1.00 71.40 H new ATOM 0 HZ3 LYS A 632 -13.970 17.009 12.356 1.00 71.40 H new ATOM 773 N ASP A 633 -11.961 14.380 5.373 1.00 4.12 N ATOM 774 CA ASP A 633 -12.335 14.067 3.995 1.00 23.21 C ATOM 775 C ASP A 633 -12.650 12.590 3.799 1.00 62.34 C ATOM 776 O ASP A 633 -13.707 12.229 3.277 1.00 13.10 O ATOM 777 CB ASP A 633 -11.251 14.511 3.000 1.00 13.44 C ATOM 778 CG ASP A 633 -11.708 14.418 1.546 1.00 0.21 C ATOM 779 OD1 ASP A 633 -11.793 13.304 0.990 1.00 51.50 O ATOM 780 OD2 ASP A 633 -12.010 15.482 0.942 1.00 75.04 O ATOM 0 H ASP A 633 -10.958 14.472 5.534 1.00 4.12 H new ATOM 0 HA ASP A 633 -13.246 14.631 3.794 1.00 23.21 H new ATOM 0 HB2 ASP A 633 -10.961 15.539 3.220 1.00 13.44 H new ATOM 0 HB3 ASP A 633 -10.363 13.893 3.137 1.00 13.44 H new ATOM 785 N GLY A 634 -11.735 11.736 4.234 1.00 40.45 N ATOM 786 CA GLY A 634 -11.856 10.318 3.941 1.00 32.12 C ATOM 787 C GLY A 634 -12.754 9.548 4.877 1.00 43.44 C ATOM 788 O GLY A 634 -13.549 8.722 4.412 1.00 72.11 O ATOM 0 H GLY A 634 -10.914 11.995 4.782 1.00 40.45 H new ATOM 0 HA2 GLY A 634 -12.232 10.203 2.924 1.00 32.12 H new ATOM 0 HA3 GLY A 634 -10.862 9.871 3.966 1.00 32.12 H new ATOM 792 N ARG A 635 -12.640 9.812 6.200 1.00 1.13 N ATOM 793 CA ARG A 635 -13.439 9.129 7.227 1.00 43.34 C ATOM 794 C ARG A 635 -13.120 7.624 7.114 1.00 50.52 C ATOM 795 O ARG A 635 -14.010 6.784 7.035 1.00 24.41 O ATOM 796 CB ARG A 635 -14.946 9.413 6.964 1.00 45.24 C ATOM 797 CG ARG A 635 -15.957 9.325 8.158 1.00 74.04 C ATOM 798 CD ARG A 635 -16.080 7.964 8.855 1.00 64.25 C ATOM 799 NE ARG A 635 -14.934 7.629 9.720 1.00 4.13 N ATOM 800 CZ ARG A 635 -14.859 6.515 10.480 1.00 5.54 C ATOM 801 NH1 ARG A 635 -15.817 5.598 10.414 1.00 10.44 N ATOM 802 NH2 ARG A 635 -13.822 6.317 11.283 1.00 74.22 N ATOM 0 H ARG A 635 -11.992 10.503 6.577 1.00 1.13 H new ATOM 0 HA ARG A 635 -13.206 9.480 8.232 1.00 43.34 H new ATOM 0 HB2 ARG A 635 -15.023 10.415 6.541 1.00 45.24 H new ATOM 0 HB3 ARG A 635 -15.283 8.716 6.196 1.00 45.24 H new ATOM 0 HG2 ARG A 635 -15.668 10.065 8.904 1.00 74.04 H new ATOM 0 HG3 ARG A 635 -16.943 9.610 7.791 1.00 74.04 H new ATOM 0 HD2 ARG A 635 -16.990 7.955 9.455 1.00 64.25 H new ATOM 0 HD3 ARG A 635 -16.190 7.188 8.098 1.00 64.25 H new ATOM 0 HE ARG A 635 -14.149 8.279 9.746 1.00 4.13 H new ATOM 0 HH11 ARG A 635 -16.611 5.734 9.789 1.00 10.44 H new ATOM 0 HH12 ARG A 635 -15.759 4.757 10.989 1.00 10.44 H new ATOM 0 HH21 ARG A 635 -13.074 7.009 11.330 1.00 74.22 H new ATOM 0 HH22 ARG A 635 -13.773 5.473 11.854 1.00 74.22 H new ATOM 816 N LEU A 636 -11.832 7.305 7.082 1.00 53.54 N ATOM 817 CA LEU A 636 -11.399 5.907 7.005 1.00 64.02 C ATOM 818 C LEU A 636 -11.744 5.180 8.261 1.00 21.53 C ATOM 819 O LEU A 636 -11.853 5.777 9.326 1.00 24.31 O ATOM 820 CB LEU A 636 -9.896 5.712 6.693 1.00 4.45 C ATOM 821 CG LEU A 636 -9.411 6.119 5.304 1.00 73.24 C ATOM 822 CD1 LEU A 636 -9.476 7.606 5.111 1.00 64.40 C ATOM 823 CD2 LEU A 636 -8.015 5.573 5.027 1.00 35.41 C ATOM 0 H LEU A 636 -11.072 7.985 7.108 1.00 53.54 H new ATOM 0 HA LEU A 636 -11.943 5.490 6.157 1.00 64.02 H new ATOM 0 HB2 LEU A 636 -9.323 6.276 7.429 1.00 4.45 H new ATOM 0 HB3 LEU A 636 -9.655 4.659 6.839 1.00 4.45 H new ATOM 0 HG LEU A 636 -10.087 5.673 4.574 1.00 73.24 H new ATOM 0 HD11 LEU A 636 -9.123 7.859 4.111 1.00 64.40 H new ATOM 0 HD12 LEU A 636 -10.506 7.943 5.229 1.00 64.40 H new ATOM 0 HD13 LEU A 636 -8.846 8.097 5.853 1.00 64.40 H new ATOM 0 HD21 LEU A 636 -7.696 5.879 4.031 1.00 35.41 H new ATOM 0 HD22 LEU A 636 -7.318 5.965 5.768 1.00 35.41 H new ATOM 0 HD23 LEU A 636 -8.032 4.485 5.084 1.00 35.41 H new ATOM 835 N ARG A 637 -11.891 3.911 8.138 1.00 4.35 N ATOM 836 CA ARG A 637 -12.315 3.090 9.250 1.00 71.23 C ATOM 837 C ARG A 637 -11.130 2.455 9.952 1.00 44.45 C ATOM 838 O ARG A 637 -10.018 2.404 9.421 1.00 5.13 O ATOM 839 CB ARG A 637 -13.238 1.960 8.785 1.00 33.11 C ATOM 840 CG ARG A 637 -12.549 0.971 7.888 1.00 55.21 C ATOM 841 CD ARG A 637 -13.402 -0.236 7.600 1.00 64.30 C ATOM 842 NE ARG A 637 -12.654 -1.202 6.812 1.00 61.12 N ATOM 843 CZ ARG A 637 -12.420 -2.468 7.160 1.00 11.23 C ATOM 844 NH1 ARG A 637 -13.010 -2.996 8.226 1.00 12.33 N ATOM 845 NH2 ARG A 637 -11.590 -3.208 6.426 1.00 60.01 N ATOM 0 H ARG A 637 -11.725 3.398 7.272 1.00 4.35 H new ATOM 0 HA ARG A 637 -12.845 3.751 9.935 1.00 71.23 H new ATOM 0 HB2 ARG A 637 -13.632 1.438 9.657 1.00 33.11 H new ATOM 0 HB3 ARG A 637 -14.090 2.388 8.258 1.00 33.11 H new ATOM 0 HG2 ARG A 637 -12.286 1.458 6.949 1.00 55.21 H new ATOM 0 HG3 ARG A 637 -11.617 0.651 8.353 1.00 55.21 H new ATOM 0 HD2 ARG A 637 -13.727 -0.692 8.535 1.00 64.30 H new ATOM 0 HD3 ARG A 637 -14.301 0.065 7.062 1.00 64.30 H new ATOM 0 HE ARG A 637 -12.277 -0.885 5.919 1.00 61.12 H new ATOM 0 HH11 ARG A 637 -13.649 -2.432 8.787 1.00 12.33 H new ATOM 0 HH12 ARG A 637 -12.824 -3.965 8.484 1.00 12.33 H new ATOM 0 HH21 ARG A 637 -11.139 -2.805 5.605 1.00 60.01 H new ATOM 0 HH22 ARG A 637 -11.406 -4.177 6.686 1.00 60.01 H new ATOM 859 N VAL A 638 -11.389 1.971 11.133 1.00 72.41 N ATOM 860 CA VAL A 638 -10.430 1.201 11.893 1.00 53.24 C ATOM 861 C VAL A 638 -10.406 -0.234 11.324 1.00 71.14 C ATOM 862 O VAL A 638 -11.414 -0.700 10.779 1.00 75.31 O ATOM 863 CB VAL A 638 -10.843 1.146 13.400 1.00 5.31 C ATOM 864 CG1 VAL A 638 -9.855 0.343 14.236 1.00 60.21 C ATOM 865 CG2 VAL A 638 -11.014 2.542 13.978 1.00 53.42 C ATOM 0 H VAL A 638 -12.283 2.099 11.607 1.00 72.41 H new ATOM 0 HA VAL A 638 -9.447 1.667 11.818 1.00 53.24 H new ATOM 0 HB VAL A 638 -11.804 0.634 13.442 1.00 5.31 H new ATOM 0 HG11 VAL A 638 -10.183 0.332 15.276 1.00 60.21 H new ATOM 0 HG12 VAL A 638 -9.807 -0.679 13.860 1.00 60.21 H new ATOM 0 HG13 VAL A 638 -8.868 0.800 14.171 1.00 60.21 H new ATOM 0 HG21 VAL A 638 -11.301 2.469 15.027 1.00 53.42 H new ATOM 0 HG22 VAL A 638 -10.074 3.087 13.896 1.00 53.42 H new ATOM 0 HG23 VAL A 638 -11.790 3.072 13.426 1.00 53.42 H new ATOM 875 N ASN A 639 -9.243 -0.895 11.417 1.00 55.31 N ATOM 876 CA ASN A 639 -9.044 -2.308 11.004 1.00 31.45 C ATOM 877 C ASN A 639 -8.995 -2.455 9.479 1.00 2.11 C ATOM 878 O ASN A 639 -8.983 -3.561 8.942 1.00 11.30 O ATOM 879 CB ASN A 639 -10.115 -3.241 11.669 1.00 4.45 C ATOM 880 CG ASN A 639 -9.939 -4.737 11.384 1.00 30.15 C ATOM 881 OD1 ASN A 639 -10.507 -5.287 10.430 1.00 43.51 O ATOM 882 ND2 ASN A 639 -9.158 -5.399 12.199 1.00 54.12 N ATOM 0 H ASN A 639 -8.396 -0.464 11.786 1.00 55.31 H new ATOM 0 HA ASN A 639 -8.069 -2.632 11.368 1.00 31.45 H new ATOM 0 HB2 ASN A 639 -10.089 -3.087 12.748 1.00 4.45 H new ATOM 0 HB3 ASN A 639 -11.104 -2.935 11.327 1.00 4.45 H new ATOM 0 HD21 ASN A 639 -9.002 -6.397 12.058 1.00 54.12 H new ATOM 0 HD22 ASN A 639 -8.705 -4.917 12.975 1.00 54.12 H new ATOM 889 N ASP A 640 -8.904 -1.350 8.777 1.00 15.03 N ATOM 890 CA ASP A 640 -8.876 -1.442 7.337 1.00 13.22 C ATOM 891 C ASP A 640 -7.444 -1.763 6.880 1.00 74.30 C ATOM 892 O ASP A 640 -6.479 -1.273 7.481 1.00 52.42 O ATOM 893 CB ASP A 640 -9.364 -0.166 6.668 1.00 13.15 C ATOM 894 CG ASP A 640 -9.829 -0.440 5.253 1.00 14.30 C ATOM 895 OD1 ASP A 640 -9.025 -0.826 4.437 1.00 34.44 O ATOM 896 OD2 ASP A 640 -11.048 -0.297 4.981 1.00 42.22 O ATOM 0 H ASP A 640 -8.850 -0.407 9.162 1.00 15.03 H new ATOM 0 HA ASP A 640 -9.556 -2.240 7.037 1.00 13.22 H new ATOM 0 HB2 ASP A 640 -10.182 0.263 7.247 1.00 13.15 H new ATOM 0 HB3 ASP A 640 -8.562 0.572 6.655 1.00 13.15 H new ATOM 901 N GLN A 641 -7.327 -2.572 5.850 1.00 54.32 N ATOM 902 CA GLN A 641 -6.050 -3.022 5.311 1.00 11.15 C ATOM 903 C GLN A 641 -5.531 -2.075 4.231 1.00 73.54 C ATOM 904 O GLN A 641 -6.157 -1.897 3.197 1.00 42.21 O ATOM 905 CB GLN A 641 -6.198 -4.456 4.744 1.00 72.04 C ATOM 906 CG GLN A 641 -5.031 -4.934 3.866 1.00 21.44 C ATOM 907 CD GLN A 641 -3.684 -4.970 4.562 1.00 73.21 C ATOM 908 OE1 GLN A 641 -3.586 -5.203 5.749 1.00 42.24 O ATOM 909 NE2 GLN A 641 -2.642 -4.701 3.813 1.00 43.52 N ATOM 0 H GLN A 641 -8.132 -2.947 5.348 1.00 54.32 H new ATOM 0 HA GLN A 641 -5.321 -3.026 6.122 1.00 11.15 H new ATOM 0 HB2 GLN A 641 -6.313 -5.149 5.577 1.00 72.04 H new ATOM 0 HB3 GLN A 641 -7.116 -4.506 4.159 1.00 72.04 H new ATOM 0 HG2 GLN A 641 -5.259 -5.933 3.495 1.00 21.44 H new ATOM 0 HG3 GLN A 641 -4.958 -4.281 2.997 1.00 21.44 H new ATOM 0 HE21 GLN A 641 -2.764 -4.510 2.818 1.00 43.52 H new ATOM 0 HE22 GLN A 641 -1.709 -4.683 4.225 1.00 43.52 H new ATOM 918 N LEU A 642 -4.377 -1.505 4.474 1.00 32.03 N ATOM 919 CA LEU A 642 -3.743 -0.608 3.529 1.00 61.13 C ATOM 920 C LEU A 642 -3.056 -1.398 2.400 1.00 22.40 C ATOM 921 O LEU A 642 -2.054 -2.085 2.612 1.00 4.01 O ATOM 922 CB LEU A 642 -2.779 0.409 4.231 1.00 73.40 C ATOM 923 CG LEU A 642 -3.411 1.507 5.102 1.00 2.41 C ATOM 924 CD1 LEU A 642 -4.130 0.927 6.303 1.00 24.11 C ATOM 925 CD2 LEU A 642 -2.355 2.490 5.549 1.00 64.11 C ATOM 0 H LEU A 642 -3.846 -1.648 5.333 1.00 32.03 H new ATOM 0 HA LEU A 642 -4.524 -0.003 3.069 1.00 61.13 H new ATOM 0 HB2 LEU A 642 -2.089 -0.159 4.855 1.00 73.40 H new ATOM 0 HB3 LEU A 642 -2.183 0.895 3.458 1.00 73.40 H new ATOM 0 HG LEU A 642 -4.151 2.027 4.494 1.00 2.41 H new ATOM 0 HD11 LEU A 642 -4.563 1.735 6.893 1.00 24.11 H new ATOM 0 HD12 LEU A 642 -4.923 0.260 5.965 1.00 24.11 H new ATOM 0 HD13 LEU A 642 -3.422 0.369 6.916 1.00 24.11 H new ATOM 0 HD21 LEU A 642 -2.815 3.263 6.165 1.00 64.11 H new ATOM 0 HD22 LEU A 642 -1.594 1.968 6.129 1.00 64.11 H new ATOM 0 HD23 LEU A 642 -1.893 2.950 4.675 1.00 64.11 H new ATOM 937 N ILE A 643 -3.631 -1.302 1.212 1.00 75.35 N ATOM 938 CA ILE A 643 -3.187 -2.053 0.037 1.00 25.24 C ATOM 939 C ILE A 643 -2.130 -1.283 -0.733 1.00 21.22 C ATOM 940 O ILE A 643 -1.037 -1.803 -1.031 1.00 1.34 O ATOM 941 CB ILE A 643 -4.375 -2.287 -0.937 1.00 21.13 C ATOM 942 CG1 ILE A 643 -5.536 -2.999 -0.245 1.00 10.42 C ATOM 943 CG2 ILE A 643 -3.928 -3.060 -2.178 1.00 41.03 C ATOM 944 CD1 ILE A 643 -5.225 -4.398 0.243 1.00 74.24 C ATOM 0 H ILE A 643 -4.429 -0.694 1.029 1.00 75.35 H new ATOM 0 HA ILE A 643 -2.783 -2.999 0.397 1.00 25.24 H new ATOM 0 HB ILE A 643 -4.729 -1.307 -1.257 1.00 21.13 H new ATOM 0 HG12 ILE A 643 -5.858 -2.397 0.604 1.00 10.42 H new ATOM 0 HG13 ILE A 643 -6.377 -3.050 -0.937 1.00 10.42 H new ATOM 0 HG21 ILE A 643 -4.781 -3.209 -2.841 1.00 41.03 H new ATOM 0 HG22 ILE A 643 -3.156 -2.495 -2.700 1.00 41.03 H new ATOM 0 HG23 ILE A 643 -3.528 -4.029 -1.879 1.00 41.03 H new ATOM 0 HD11 ILE A 643 -6.109 -4.822 0.720 1.00 74.24 H new ATOM 0 HD12 ILE A 643 -4.934 -5.022 -0.602 1.00 74.24 H new ATOM 0 HD13 ILE A 643 -4.408 -4.359 0.963 1.00 74.24 H new ATOM 956 N ALA A 644 -2.465 -0.062 -1.072 1.00 73.31 N ATOM 957 CA ALA A 644 -1.606 0.773 -1.866 1.00 13.43 C ATOM 958 C ALA A 644 -1.629 2.199 -1.357 1.00 24.33 C ATOM 959 O ALA A 644 -2.611 2.637 -0.753 1.00 71.11 O ATOM 960 CB ALA A 644 -2.014 0.712 -3.336 1.00 32.42 C ATOM 0 H ALA A 644 -3.344 0.379 -0.803 1.00 73.31 H new ATOM 0 HA ALA A 644 -0.585 0.401 -1.780 1.00 13.43 H new ATOM 0 HB1 ALA A 644 -1.354 1.350 -3.924 1.00 32.42 H new ATOM 0 HB2 ALA A 644 -1.938 -0.315 -3.692 1.00 32.42 H new ATOM 0 HB3 ALA A 644 -3.042 1.058 -3.443 1.00 32.42 H new ATOM 966 N VAL A 645 -0.564 2.911 -1.598 1.00 3.34 N ATOM 967 CA VAL A 645 -0.433 4.267 -1.149 1.00 32.04 C ATOM 968 C VAL A 645 0.202 5.128 -2.253 1.00 61.52 C ATOM 969 O VAL A 645 1.187 4.732 -2.876 1.00 44.24 O ATOM 970 CB VAL A 645 0.389 4.340 0.171 1.00 31.44 C ATOM 971 CG1 VAL A 645 1.820 3.841 -0.007 1.00 65.35 C ATOM 972 CG2 VAL A 645 0.350 5.731 0.763 1.00 73.41 C ATOM 0 H VAL A 645 0.243 2.563 -2.116 1.00 3.34 H new ATOM 0 HA VAL A 645 -1.426 4.662 -0.935 1.00 32.04 H new ATOM 0 HB VAL A 645 -0.087 3.664 0.881 1.00 31.44 H new ATOM 0 HG11 VAL A 645 2.351 3.913 0.942 1.00 65.35 H new ATOM 0 HG12 VAL A 645 1.805 2.802 -0.337 1.00 65.35 H new ATOM 0 HG13 VAL A 645 2.328 4.451 -0.754 1.00 65.35 H new ATOM 0 HG21 VAL A 645 0.933 5.751 1.684 1.00 73.41 H new ATOM 0 HG22 VAL A 645 0.771 6.441 0.051 1.00 73.41 H new ATOM 0 HG23 VAL A 645 -0.682 6.005 0.981 1.00 73.41 H new ATOM 982 N ASN A 646 -0.416 6.277 -2.522 1.00 62.53 N ATOM 983 CA ASN A 646 0.015 7.238 -3.571 1.00 63.43 C ATOM 984 C ASN A 646 -0.017 6.590 -4.944 1.00 73.32 C ATOM 985 O ASN A 646 0.636 7.046 -5.883 1.00 23.45 O ATOM 986 CB ASN A 646 1.418 7.804 -3.282 1.00 52.50 C ATOM 987 CG ASN A 646 1.489 8.586 -1.991 1.00 15.34 C ATOM 988 OD1 ASN A 646 1.767 8.037 -0.941 1.00 43.35 O ATOM 989 ND2 ASN A 646 1.221 9.863 -2.054 1.00 54.34 N ATOM 0 H ASN A 646 -1.246 6.584 -2.016 1.00 62.53 H new ATOM 0 HA ASN A 646 -0.691 8.068 -3.558 1.00 63.43 H new ATOM 0 HB2 ASN A 646 2.133 6.982 -3.242 1.00 52.50 H new ATOM 0 HB3 ASN A 646 1.720 8.449 -4.107 1.00 52.50 H new ATOM 0 HD21 ASN A 646 1.241 10.431 -1.207 1.00 54.34 H new ATOM 0 HD22 ASN A 646 0.992 10.292 -2.950 1.00 54.34 H new ATOM 996 N GLY A 647 -0.826 5.554 -5.065 1.00 75.54 N ATOM 997 CA GLY A 647 -0.897 4.807 -6.296 1.00 72.22 C ATOM 998 C GLY A 647 0.040 3.596 -6.319 1.00 51.15 C ATOM 999 O GLY A 647 -0.165 2.671 -7.112 1.00 10.02 O ATOM 0 H GLY A 647 -1.440 5.215 -4.324 1.00 75.54 H new ATOM 0 HA2 GLY A 647 -1.922 4.469 -6.450 1.00 72.22 H new ATOM 0 HA3 GLY A 647 -0.650 5.466 -7.129 1.00 72.22 H new ATOM 1003 N GLU A 648 1.050 3.588 -5.449 1.00 35.25 N ATOM 1004 CA GLU A 648 2.023 2.502 -5.400 1.00 72.21 C ATOM 1005 C GLU A 648 1.507 1.382 -4.512 1.00 3.42 C ATOM 1006 O GLU A 648 1.045 1.628 -3.403 1.00 42.14 O ATOM 1007 CB GLU A 648 3.378 3.011 -4.875 1.00 33.31 C ATOM 1008 CG GLU A 648 4.449 1.931 -4.821 1.00 72.45 C ATOM 1009 CD GLU A 648 5.784 2.419 -4.320 1.00 32.00 C ATOM 1010 OE1 GLU A 648 6.430 3.225 -5.014 1.00 42.43 O ATOM 1011 OE2 GLU A 648 6.212 2.002 -3.229 1.00 15.45 O ATOM 0 H GLU A 648 1.214 4.327 -4.766 1.00 35.25 H new ATOM 0 HA GLU A 648 2.166 2.119 -6.410 1.00 72.21 H new ATOM 0 HB2 GLU A 648 3.724 3.824 -5.513 1.00 33.31 H new ATOM 0 HB3 GLU A 648 3.240 3.426 -3.877 1.00 33.31 H new ATOM 0 HG2 GLU A 648 4.104 1.123 -4.177 1.00 72.45 H new ATOM 0 HG3 GLU A 648 4.578 1.511 -5.818 1.00 72.45 H new ATOM 1018 N SER A 649 1.594 0.168 -4.991 1.00 72.35 N ATOM 1019 CA SER A 649 1.103 -0.972 -4.262 1.00 13.51 C ATOM 1020 C SER A 649 2.195 -1.567 -3.379 1.00 32.32 C ATOM 1021 O SER A 649 3.373 -1.585 -3.755 1.00 51.41 O ATOM 1022 CB SER A 649 0.585 -2.020 -5.242 1.00 53.22 C ATOM 1023 OG SER A 649 -0.447 -1.478 -6.061 1.00 61.14 O ATOM 0 H SER A 649 2.007 -0.058 -5.896 1.00 72.35 H new ATOM 0 HA SER A 649 0.288 -0.648 -3.615 1.00 13.51 H new ATOM 0 HB2 SER A 649 1.403 -2.376 -5.868 1.00 53.22 H new ATOM 0 HB3 SER A 649 0.206 -2.882 -4.693 1.00 53.22 H new ATOM 0 HG SER A 649 -0.765 -2.165 -6.684 1.00 61.14 H new ATOM 1029 N LEU A 650 1.813 -2.021 -2.200 1.00 63.32 N ATOM 1030 CA LEU A 650 2.750 -2.657 -1.292 1.00 13.14 C ATOM 1031 C LEU A 650 2.195 -3.943 -0.738 1.00 32.43 C ATOM 1032 O LEU A 650 2.800 -4.561 0.143 1.00 63.42 O ATOM 1033 CB LEU A 650 3.210 -1.743 -0.133 1.00 62.22 C ATOM 1034 CG LEU A 650 2.142 -1.094 0.783 1.00 74.13 C ATOM 1035 CD1 LEU A 650 2.818 -0.453 1.960 1.00 73.44 C ATOM 1036 CD2 LEU A 650 1.364 -0.023 0.052 1.00 13.53 C ATOM 0 H LEU A 650 0.858 -1.961 -1.848 1.00 63.32 H new ATOM 0 HA LEU A 650 3.631 -2.873 -1.897 1.00 13.14 H new ATOM 0 HB2 LEU A 650 3.876 -2.327 0.502 1.00 62.22 H new ATOM 0 HB3 LEU A 650 3.805 -0.939 -0.565 1.00 62.22 H new ATOM 0 HG LEU A 650 1.457 -1.879 1.101 1.00 74.13 H new ATOM 0 HD11 LEU A 650 2.068 0.004 2.606 1.00 73.44 H new ATOM 0 HD12 LEU A 650 3.367 -1.210 2.521 1.00 73.44 H new ATOM 0 HD13 LEU A 650 3.510 0.312 1.610 1.00 73.44 H new ATOM 0 HD21 LEU A 650 0.624 0.411 0.724 1.00 13.53 H new ATOM 0 HD22 LEU A 650 2.047 0.756 -0.287 1.00 13.53 H new ATOM 0 HD23 LEU A 650 0.860 -0.463 -0.808 1.00 13.53 H new ATOM 1048 N LEU A 651 1.062 -4.362 -1.264 1.00 14.11 N ATOM 1049 CA LEU A 651 0.438 -5.582 -0.817 1.00 32.04 C ATOM 1050 C LEU A 651 1.282 -6.784 -1.228 1.00 2.10 C ATOM 1051 O LEU A 651 1.270 -7.199 -2.389 1.00 61.34 O ATOM 1052 CB LEU A 651 -0.984 -5.709 -1.376 1.00 22.13 C ATOM 1053 CG LEU A 651 -1.775 -6.945 -0.931 1.00 41.13 C ATOM 1054 CD1 LEU A 651 -2.021 -6.930 0.573 1.00 3.11 C ATOM 1055 CD2 LEU A 651 -3.080 -7.056 -1.694 1.00 44.13 C ATOM 0 H LEU A 651 0.557 -3.872 -2.002 1.00 14.11 H new ATOM 0 HA LEU A 651 0.370 -5.554 0.271 1.00 32.04 H new ATOM 0 HB2 LEU A 651 -1.546 -4.820 -1.089 1.00 22.13 H new ATOM 0 HB3 LEU A 651 -0.926 -5.712 -2.464 1.00 22.13 H new ATOM 0 HG LEU A 651 -1.175 -7.825 -1.160 1.00 41.13 H new ATOM 0 HD11 LEU A 651 -2.584 -7.819 0.858 1.00 3.11 H new ATOM 0 HD12 LEU A 651 -1.066 -6.921 1.098 1.00 3.11 H new ATOM 0 HD13 LEU A 651 -2.590 -6.039 0.840 1.00 3.11 H new ATOM 0 HD21 LEU A 651 -3.623 -7.941 -1.360 1.00 44.13 H new ATOM 0 HD22 LEU A 651 -3.685 -6.168 -1.511 1.00 44.13 H new ATOM 0 HD23 LEU A 651 -2.872 -7.139 -2.761 1.00 44.13 H new ATOM 1067 N GLY A 652 2.058 -7.280 -0.301 1.00 11.23 N ATOM 1068 CA GLY A 652 2.863 -8.447 -0.565 1.00 1.34 C ATOM 1069 C GLY A 652 4.153 -8.436 0.205 1.00 22.23 C ATOM 1070 O GLY A 652 4.769 -9.480 0.416 1.00 61.14 O ATOM 0 H GLY A 652 2.151 -6.898 0.640 1.00 11.23 H new ATOM 0 HA2 GLY A 652 2.297 -9.342 -0.308 1.00 1.34 H new ATOM 0 HA3 GLY A 652 3.080 -8.502 -1.632 1.00 1.34 H new ATOM 1074 N LYS A 653 4.572 -7.265 0.629 1.00 61.32 N ATOM 1075 CA LYS A 653 5.793 -7.156 1.386 1.00 61.33 C ATOM 1076 C LYS A 653 5.472 -7.241 2.882 1.00 52.02 C ATOM 1077 O LYS A 653 4.320 -7.024 3.280 1.00 0.45 O ATOM 1078 CB LYS A 653 6.568 -5.861 1.025 1.00 52.42 C ATOM 1079 CG LYS A 653 5.860 -4.552 1.369 1.00 13.32 C ATOM 1080 CD LYS A 653 6.695 -3.327 0.968 1.00 10.22 C ATOM 1081 CE LYS A 653 6.756 -3.109 -0.532 1.00 21.42 C ATOM 1082 NZ LYS A 653 7.665 -2.005 -0.895 1.00 11.14 N ATOM 0 H LYS A 653 4.088 -6.383 0.463 1.00 61.32 H new ATOM 0 HA LYS A 653 6.451 -7.986 1.129 1.00 61.33 H new ATOM 0 HB2 LYS A 653 7.530 -5.879 1.538 1.00 52.42 H new ATOM 0 HB3 LYS A 653 6.777 -5.870 -0.045 1.00 52.42 H new ATOM 0 HG2 LYS A 653 4.896 -4.516 0.861 1.00 13.32 H new ATOM 0 HG3 LYS A 653 5.658 -4.519 2.440 1.00 13.32 H new ATOM 0 HD2 LYS A 653 6.275 -2.439 1.441 1.00 10.22 H new ATOM 0 HD3 LYS A 653 7.708 -3.444 1.353 1.00 10.22 H new ATOM 0 HE2 LYS A 653 7.088 -4.026 -1.018 1.00 21.42 H new ATOM 0 HE3 LYS A 653 5.756 -2.893 -0.908 1.00 21.42 H new ATOM 0 HZ1 LYS A 653 7.479 -1.710 -1.875 1.00 11.14 H new ATOM 0 HZ2 LYS A 653 7.507 -1.200 -0.255 1.00 11.14 H new ATOM 0 HZ3 LYS A 653 8.651 -2.325 -0.811 1.00 11.14 H new ATOM 1096 N ALA A 654 6.478 -7.570 3.688 1.00 25.52 N ATOM 1097 CA ALA A 654 6.320 -7.734 5.140 1.00 30.31 C ATOM 1098 C ALA A 654 5.865 -6.447 5.820 1.00 55.30 C ATOM 1099 O ALA A 654 5.915 -5.375 5.217 1.00 3.41 O ATOM 1100 CB ALA A 654 7.612 -8.234 5.755 1.00 52.32 C ATOM 0 H ALA A 654 7.429 -7.732 3.357 1.00 25.52 H new ATOM 0 HA ALA A 654 5.537 -8.475 5.301 1.00 30.31 H new ATOM 0 HB1 ALA A 654 7.481 -8.351 6.831 1.00 52.32 H new ATOM 0 HB2 ALA A 654 7.876 -9.195 5.315 1.00 52.32 H new ATOM 0 HB3 ALA A 654 8.409 -7.515 5.562 1.00 52.32 H new ATOM 1106 N ASN A 655 5.461 -6.560 7.094 1.00 62.20 N ATOM 1107 CA ASN A 655 4.883 -5.428 7.842 1.00 35.31 C ATOM 1108 C ASN A 655 5.823 -4.251 7.856 1.00 10.34 C ATOM 1109 O ASN A 655 5.451 -3.179 7.459 1.00 42.34 O ATOM 1110 CB ASN A 655 4.585 -5.821 9.316 1.00 61.33 C ATOM 1111 CG ASN A 655 3.727 -7.053 9.450 1.00 31.41 C ATOM 1112 OD1 ASN A 655 4.237 -8.167 9.555 1.00 53.12 O ATOM 1113 ND2 ASN A 655 2.434 -6.882 9.414 1.00 40.31 N ATOM 0 H ASN A 655 5.523 -7.425 7.631 1.00 62.20 H new ATOM 0 HA ASN A 655 3.956 -5.159 7.335 1.00 35.31 H new ATOM 0 HB2 ASN A 655 5.528 -5.987 9.837 1.00 61.33 H new ATOM 0 HB3 ASN A 655 4.089 -4.987 9.812 1.00 61.33 H new ATOM 0 HD21 ASN A 655 1.811 -7.688 9.474 1.00 40.31 H new ATOM 0 HD22 ASN A 655 2.046 -5.943 9.326 1.00 40.31 H new ATOM 1120 N GLN A 656 7.069 -4.498 8.205 1.00 52.40 N ATOM 1121 CA GLN A 656 8.069 -3.444 8.375 1.00 2.35 C ATOM 1122 C GLN A 656 8.315 -2.793 7.057 1.00 62.33 C ATOM 1123 O GLN A 656 8.297 -1.568 6.927 1.00 62.32 O ATOM 1124 CB GLN A 656 9.409 -4.002 8.858 1.00 1.51 C ATOM 1125 CG GLN A 656 9.358 -5.036 9.956 1.00 73.02 C ATOM 1126 CD GLN A 656 9.106 -6.461 9.443 1.00 34.42 C ATOM 1127 OE1 GLN A 656 8.430 -6.696 8.451 1.00 25.42 O ATOM 1128 NE2 GLN A 656 9.710 -7.383 10.078 1.00 61.33 N ATOM 0 H GLN A 656 7.426 -5.437 8.381 1.00 52.40 H new ATOM 0 HA GLN A 656 7.683 -2.743 9.115 1.00 2.35 H new ATOM 0 HB2 GLN A 656 9.923 -4.440 8.002 1.00 1.51 H new ATOM 0 HB3 GLN A 656 10.020 -3.168 9.204 1.00 1.51 H new ATOM 0 HG2 GLN A 656 10.299 -5.017 10.506 1.00 73.02 H new ATOM 0 HG3 GLN A 656 8.571 -4.768 10.661 1.00 73.02 H new ATOM 0 HE21 GLN A 656 10.266 -7.155 10.902 1.00 61.33 H new ATOM 0 HE22 GLN A 656 9.638 -8.351 9.763 1.00 61.33 H new ATOM 1137 N GLU A 657 8.529 -3.640 6.075 1.00 42.53 N ATOM 1138 CA GLU A 657 8.761 -3.216 4.694 1.00 3.53 C ATOM 1139 C GLU A 657 7.626 -2.319 4.226 1.00 31.21 C ATOM 1140 O GLU A 657 7.852 -1.240 3.671 1.00 44.22 O ATOM 1141 CB GLU A 657 8.818 -4.440 3.784 1.00 32.24 C ATOM 1142 CG GLU A 657 9.918 -5.432 4.122 1.00 44.42 C ATOM 1143 CD GLU A 657 11.293 -4.876 3.861 1.00 63.12 C ATOM 1144 OE1 GLU A 657 11.794 -4.095 4.674 1.00 32.42 O ATOM 1145 OE2 GLU A 657 11.885 -5.208 2.818 1.00 74.23 O ATOM 0 H GLU A 657 8.549 -4.652 6.203 1.00 42.53 H new ATOM 0 HA GLU A 657 9.704 -2.671 4.651 1.00 3.53 H new ATOM 0 HB2 GLU A 657 7.858 -4.954 3.829 1.00 32.24 H new ATOM 0 HB3 GLU A 657 8.953 -4.105 2.756 1.00 32.24 H new ATOM 0 HG2 GLU A 657 9.837 -5.716 5.171 1.00 44.42 H new ATOM 0 HG3 GLU A 657 9.778 -6.339 3.534 1.00 44.42 H new ATOM 1152 N ALA A 658 6.413 -2.765 4.474 1.00 33.22 N ATOM 1153 CA ALA A 658 5.227 -2.046 4.088 1.00 13.42 C ATOM 1154 C ALA A 658 5.146 -0.705 4.798 1.00 32.15 C ATOM 1155 O ALA A 658 4.863 0.310 4.180 1.00 75.40 O ATOM 1156 CB ALA A 658 3.995 -2.888 4.367 1.00 12.14 C ATOM 0 H ALA A 658 6.225 -3.645 4.954 1.00 33.22 H new ATOM 0 HA ALA A 658 5.275 -1.846 3.018 1.00 13.42 H new ATOM 0 HB1 ALA A 658 3.103 -2.336 4.072 1.00 12.14 H new ATOM 0 HB2 ALA A 658 4.052 -3.816 3.798 1.00 12.14 H new ATOM 0 HB3 ALA A 658 3.944 -3.117 5.431 1.00 12.14 H new ATOM 1162 N MET A 659 5.438 -0.700 6.074 1.00 22.14 N ATOM 1163 CA MET A 659 5.380 0.517 6.873 1.00 5.35 C ATOM 1164 C MET A 659 6.393 1.523 6.387 1.00 43.40 C ATOM 1165 O MET A 659 6.100 2.717 6.346 1.00 74.20 O ATOM 1166 CB MET A 659 5.582 0.190 8.339 1.00 42.43 C ATOM 1167 CG MET A 659 4.586 -0.844 8.800 1.00 12.02 C ATOM 1168 SD MET A 659 4.894 -1.552 10.411 1.00 34.24 S ATOM 1169 CE MET A 659 4.502 -0.181 11.390 1.00 2.13 C ATOM 0 H MET A 659 5.722 -1.530 6.594 1.00 22.14 H new ATOM 0 HA MET A 659 4.393 0.966 6.760 1.00 5.35 H new ATOM 0 HB2 MET A 659 6.595 -0.179 8.498 1.00 42.43 H new ATOM 0 HB3 MET A 659 5.475 1.096 8.936 1.00 42.43 H new ATOM 0 HG2 MET A 659 3.595 -0.390 8.806 1.00 12.02 H new ATOM 0 HG3 MET A 659 4.562 -1.651 8.067 1.00 12.02 H new ATOM 0 HE1 MET A 659 4.602 -0.445 12.443 1.00 2.13 H new ATOM 0 HE2 MET A 659 5.181 0.639 11.156 1.00 2.13 H new ATOM 0 HE3 MET A 659 3.476 0.128 11.189 1.00 2.13 H new ATOM 1179 N GLU A 660 7.577 1.048 5.982 1.00 54.41 N ATOM 1180 CA GLU A 660 8.575 1.944 5.431 1.00 22.41 C ATOM 1181 C GLU A 660 8.133 2.476 4.078 1.00 24.13 C ATOM 1182 O GLU A 660 8.278 3.670 3.798 1.00 61.30 O ATOM 1183 CB GLU A 660 9.955 1.316 5.333 1.00 71.21 C ATOM 1184 CG GLU A 660 10.553 0.911 6.662 1.00 72.43 C ATOM 1185 CD GLU A 660 12.013 0.581 6.539 1.00 52.44 C ATOM 1186 OE1 GLU A 660 12.363 -0.535 6.117 1.00 75.11 O ATOM 1187 OE2 GLU A 660 12.846 1.464 6.837 1.00 62.22 O ATOM 0 H GLU A 660 7.855 0.068 6.027 1.00 54.41 H new ATOM 0 HA GLU A 660 8.661 2.774 6.132 1.00 22.41 H new ATOM 0 HB2 GLU A 660 9.896 0.436 4.692 1.00 71.21 H new ATOM 0 HB3 GLU A 660 10.628 2.021 4.845 1.00 71.21 H new ATOM 0 HG2 GLU A 660 10.422 1.720 7.381 1.00 72.43 H new ATOM 0 HG3 GLU A 660 10.017 0.047 7.054 1.00 72.43 H new ATOM 1194 N THR A 661 7.564 1.599 3.251 1.00 73.21 N ATOM 1195 CA THR A 661 7.032 2.005 1.962 1.00 22.22 C ATOM 1196 C THR A 661 5.954 3.076 2.167 1.00 61.10 C ATOM 1197 O THR A 661 5.922 4.100 1.479 1.00 62.44 O ATOM 1198 CB THR A 661 6.404 0.804 1.239 1.00 30.15 C ATOM 1199 OG1 THR A 661 7.403 -0.204 1.057 1.00 43.30 O ATOM 1200 CG2 THR A 661 5.862 1.219 -0.119 1.00 65.22 C ATOM 0 H THR A 661 7.462 0.605 3.456 1.00 73.21 H new ATOM 0 HA THR A 661 7.848 2.402 1.359 1.00 22.22 H new ATOM 0 HB THR A 661 5.581 0.420 1.842 1.00 30.15 H new ATOM 0 HG1 THR A 661 7.594 -0.634 1.916 1.00 43.30 H new ATOM 0 HG21 THR A 661 5.422 0.354 -0.615 1.00 65.22 H new ATOM 0 HG22 THR A 661 5.101 1.988 0.013 1.00 65.22 H new ATOM 0 HG23 THR A 661 6.674 1.613 -0.730 1.00 65.22 H new ATOM 1208 N LEU A 662 5.115 2.835 3.145 1.00 74.14 N ATOM 1209 CA LEU A 662 4.017 3.704 3.483 1.00 53.03 C ATOM 1210 C LEU A 662 4.476 5.079 3.953 1.00 71.15 C ATOM 1211 O LEU A 662 4.105 6.082 3.349 1.00 54.55 O ATOM 1212 CB LEU A 662 3.136 3.009 4.532 1.00 5.54 C ATOM 1213 CG LEU A 662 2.008 3.814 5.159 1.00 31.15 C ATOM 1214 CD1 LEU A 662 1.038 4.323 4.109 1.00 13.24 C ATOM 1215 CD2 LEU A 662 1.279 2.970 6.176 1.00 15.34 C ATOM 0 H LEU A 662 5.179 2.010 3.741 1.00 74.14 H new ATOM 0 HA LEU A 662 3.433 3.887 2.581 1.00 53.03 H new ATOM 0 HB2 LEU A 662 2.698 2.125 4.069 1.00 5.54 H new ATOM 0 HB3 LEU A 662 3.785 2.660 5.335 1.00 5.54 H new ATOM 0 HG LEU A 662 2.446 4.681 5.654 1.00 31.15 H new ATOM 0 HD11 LEU A 662 0.245 4.894 4.592 1.00 13.24 H new ATOM 0 HD12 LEU A 662 1.568 4.963 3.404 1.00 13.24 H new ATOM 0 HD13 LEU A 662 0.603 3.478 3.575 1.00 13.24 H new ATOM 0 HD21 LEU A 662 0.472 3.553 6.621 1.00 15.34 H new ATOM 0 HD22 LEU A 662 0.863 2.089 5.687 1.00 15.34 H new ATOM 0 HD23 LEU A 662 1.974 2.658 6.955 1.00 15.34 H new ATOM 1227 N ARG A 663 5.307 5.128 4.982 1.00 14.21 N ATOM 1228 CA ARG A 663 5.768 6.412 5.529 1.00 23.24 C ATOM 1229 C ARG A 663 6.580 7.216 4.511 1.00 30.23 C ATOM 1230 O ARG A 663 6.565 8.445 4.532 1.00 15.42 O ATOM 1231 CB ARG A 663 6.554 6.220 6.830 1.00 31.15 C ATOM 1232 CG ARG A 663 7.693 5.260 6.686 1.00 22.15 C ATOM 1233 CD ARG A 663 8.497 5.092 7.961 1.00 42.30 C ATOM 1234 NE ARG A 663 9.135 6.336 8.379 1.00 54.44 N ATOM 1235 CZ ARG A 663 10.054 6.439 9.341 1.00 30.04 C ATOM 1236 NH1 ARG A 663 10.422 5.366 10.037 1.00 73.33 N ATOM 1237 NH2 ARG A 663 10.590 7.618 9.612 1.00 32.14 N ATOM 0 H ARG A 663 5.678 4.306 5.458 1.00 14.21 H new ATOM 0 HA ARG A 663 4.874 6.992 5.759 1.00 23.24 H new ATOM 0 HB2 ARG A 663 6.938 7.184 7.162 1.00 31.15 H new ATOM 0 HB3 ARG A 663 5.879 5.861 7.607 1.00 31.15 H new ATOM 0 HG2 ARG A 663 7.305 4.289 6.378 1.00 22.15 H new ATOM 0 HG3 ARG A 663 8.353 5.606 5.891 1.00 22.15 H new ATOM 0 HD2 ARG A 663 7.843 4.736 8.757 1.00 42.30 H new ATOM 0 HD3 ARG A 663 9.259 4.328 7.810 1.00 42.30 H new ATOM 0 HE ARG A 663 8.857 7.192 7.899 1.00 54.44 H new ATOM 0 HH11 ARG A 663 10.001 4.459 9.836 1.00 73.33 H new ATOM 0 HH12 ARG A 663 11.125 5.451 10.771 1.00 73.33 H new ATOM 0 HH21 ARG A 663 10.300 8.443 9.087 1.00 32.14 H new ATOM 0 HH22 ARG A 663 11.293 7.702 10.346 1.00 32.14 H new ATOM 1251 N ARG A 664 7.280 6.529 3.629 1.00 45.24 N ATOM 1252 CA ARG A 664 8.046 7.200 2.602 1.00 22.53 C ATOM 1253 C ARG A 664 7.175 7.711 1.484 1.00 52.43 C ATOM 1254 O ARG A 664 7.308 8.845 1.093 1.00 32.20 O ATOM 1255 CB ARG A 664 9.194 6.337 2.088 1.00 21.24 C ATOM 1256 CG ARG A 664 9.994 6.973 0.956 1.00 1.43 C ATOM 1257 CD ARG A 664 11.208 6.138 0.616 1.00 71.14 C ATOM 1258 NE ARG A 664 12.151 6.099 1.746 1.00 4.34 N ATOM 1259 CZ ARG A 664 13.083 5.161 1.947 1.00 43.05 C ATOM 1260 NH1 ARG A 664 13.185 4.122 1.123 1.00 22.14 N ATOM 1261 NH2 ARG A 664 13.899 5.265 2.985 1.00 64.41 N ATOM 0 H ARG A 664 7.333 5.511 3.604 1.00 45.24 H new ATOM 0 HA ARG A 664 8.496 8.075 3.070 1.00 22.53 H new ATOM 0 HB2 ARG A 664 9.868 6.118 2.916 1.00 21.24 H new ATOM 0 HB3 ARG A 664 8.792 5.384 1.743 1.00 21.24 H new ATOM 0 HG2 ARG A 664 9.362 7.079 0.074 1.00 1.43 H new ATOM 0 HG3 ARG A 664 10.307 7.976 1.246 1.00 1.43 H new ATOM 0 HD2 ARG A 664 10.898 5.125 0.361 1.00 71.14 H new ATOM 0 HD3 ARG A 664 11.704 6.550 -0.263 1.00 71.14 H new ATOM 0 HE ARG A 664 12.088 6.850 2.433 1.00 4.34 H new ATOM 0 HH11 ARG A 664 12.549 4.036 0.330 1.00 22.14 H new ATOM 0 HH12 ARG A 664 13.899 3.411 1.284 1.00 22.14 H new ATOM 0 HH21 ARG A 664 13.814 6.056 3.624 1.00 64.41 H new ATOM 0 HH22 ARG A 664 14.613 4.554 3.146 1.00 64.41 H new ATOM 1275 N SER A 665 6.252 6.911 1.006 1.00 44.10 N ATOM 1276 CA SER A 665 5.434 7.331 -0.117 1.00 12.01 C ATOM 1277 C SER A 665 4.548 8.483 0.292 1.00 52.32 C ATOM 1278 O SER A 665 4.401 9.452 -0.440 1.00 1.24 O ATOM 1279 CB SER A 665 4.591 6.173 -0.638 1.00 11.22 C ATOM 1280 OG SER A 665 5.408 5.067 -0.963 1.00 4.21 O ATOM 0 H SER A 665 6.047 5.979 1.367 1.00 44.10 H new ATOM 0 HA SER A 665 6.093 7.658 -0.921 1.00 12.01 H new ATOM 0 HB2 SER A 665 3.859 5.882 0.115 1.00 11.22 H new ATOM 0 HB3 SER A 665 4.033 6.490 -1.519 1.00 11.22 H new ATOM 0 HG SER A 665 5.561 4.526 -0.160 1.00 4.21 H new ATOM 1286 N MET A 666 4.021 8.405 1.500 1.00 12.33 N ATOM 1287 CA MET A 666 3.115 9.420 1.987 1.00 33.41 C ATOM 1288 C MET A 666 3.839 10.743 2.223 1.00 53.23 C ATOM 1289 O MET A 666 3.232 11.808 2.200 1.00 51.02 O ATOM 1290 CB MET A 666 2.344 8.920 3.239 1.00 61.43 C ATOM 1291 CG MET A 666 3.145 8.691 4.518 1.00 72.43 C ATOM 1292 SD MET A 666 3.647 10.201 5.354 1.00 44.41 S ATOM 1293 CE MET A 666 2.043 10.936 5.623 1.00 64.35 C ATOM 0 H MET A 666 4.207 7.649 2.159 1.00 12.33 H new ATOM 0 HA MET A 666 2.368 9.615 1.217 1.00 33.41 H new ATOM 0 HB2 MET A 666 1.558 9.642 3.460 1.00 61.43 H new ATOM 0 HB3 MET A 666 1.852 7.983 2.978 1.00 61.43 H new ATOM 0 HG2 MET A 666 2.548 8.090 5.204 1.00 72.43 H new ATOM 0 HG3 MET A 666 4.035 8.110 4.277 1.00 72.43 H new ATOM 0 HE1 MET A 666 1.946 11.831 5.009 1.00 64.35 H new ATOM 0 HE2 MET A 666 1.265 10.223 5.350 1.00 64.35 H new ATOM 0 HE3 MET A 666 1.937 11.203 6.674 1.00 64.35 H new ATOM 1303 N SER A 667 5.133 10.661 2.418 1.00 33.42 N ATOM 1304 CA SER A 667 5.938 11.820 2.634 1.00 71.32 C ATOM 1305 C SER A 667 6.492 12.321 1.299 1.00 44.35 C ATOM 1306 O SER A 667 6.252 13.470 0.899 1.00 24.43 O ATOM 1307 CB SER A 667 7.084 11.468 3.600 1.00 41.15 C ATOM 1308 OG SER A 667 7.904 12.590 3.891 1.00 63.22 O ATOM 0 H SER A 667 5.651 9.782 2.430 1.00 33.42 H new ATOM 0 HA SER A 667 5.334 12.613 3.075 1.00 71.32 H new ATOM 0 HB2 SER A 667 6.667 11.074 4.527 1.00 41.15 H new ATOM 0 HB3 SER A 667 7.695 10.677 3.164 1.00 41.15 H new ATOM 0 HG SER A 667 8.617 12.323 4.508 1.00 63.22 H new ATOM 1314 N THR A 668 7.183 11.441 0.601 1.00 50.51 N ATOM 1315 CA THR A 668 7.872 11.775 -0.616 1.00 64.24 C ATOM 1316 C THR A 668 6.905 12.066 -1.759 1.00 21.51 C ATOM 1317 O THR A 668 6.985 13.116 -2.404 1.00 40.12 O ATOM 1318 CB THR A 668 8.806 10.627 -1.002 1.00 61.52 C ATOM 1319 OG1 THR A 668 9.667 10.336 0.113 1.00 63.24 O ATOM 1320 CG2 THR A 668 9.654 10.985 -2.207 1.00 75.21 C ATOM 0 H THR A 668 7.279 10.462 0.873 1.00 50.51 H new ATOM 0 HA THR A 668 8.448 12.683 -0.438 1.00 64.24 H new ATOM 0 HB THR A 668 8.200 9.758 -1.260 1.00 61.52 H new ATOM 0 HG1 THR A 668 9.181 9.793 0.769 1.00 63.24 H new ATOM 0 HG21 THR A 668 10.306 10.148 -2.455 1.00 75.21 H new ATOM 0 HG22 THR A 668 9.006 11.204 -3.056 1.00 75.21 H new ATOM 0 HG23 THR A 668 10.260 11.861 -1.978 1.00 75.21 H new ATOM 1328 N GLU A 669 5.982 11.165 -1.983 1.00 34.35 N ATOM 1329 CA GLU A 669 5.047 11.306 -3.092 1.00 53.11 C ATOM 1330 C GLU A 669 3.815 12.090 -2.670 1.00 4.11 C ATOM 1331 O GLU A 669 3.075 12.615 -3.513 1.00 42.11 O ATOM 1332 CB GLU A 669 4.646 9.942 -3.629 1.00 51.23 C ATOM 1333 CG GLU A 669 5.815 9.112 -4.126 1.00 34.42 C ATOM 1334 CD GLU A 669 6.568 9.767 -5.260 1.00 12.05 C ATOM 1335 OE1 GLU A 669 6.106 9.684 -6.413 1.00 72.41 O ATOM 1336 OE2 GLU A 669 7.646 10.348 -5.025 1.00 60.21 O ATOM 0 H GLU A 669 5.851 10.325 -1.419 1.00 34.35 H new ATOM 0 HA GLU A 669 5.548 11.860 -3.886 1.00 53.11 H new ATOM 0 HB2 GLU A 669 4.129 9.391 -2.844 1.00 51.23 H new ATOM 0 HB3 GLU A 669 3.936 10.077 -4.445 1.00 51.23 H new ATOM 0 HG2 GLU A 669 6.502 8.931 -3.299 1.00 34.42 H new ATOM 0 HG3 GLU A 669 5.448 8.140 -4.455 1.00 34.42 H new ATOM 1343 N GLY A 670 3.596 12.160 -1.372 1.00 65.15 N ATOM 1344 CA GLY A 670 2.483 12.901 -0.845 1.00 21.34 C ATOM 1345 C GLY A 670 2.625 14.372 -1.134 1.00 42.41 C ATOM 1346 O GLY A 670 1.803 14.967 -1.857 1.00 23.03 O ATOM 0 H GLY A 670 4.179 11.709 -0.667 1.00 65.15 H new ATOM 0 HA2 GLY A 670 1.556 12.529 -1.281 1.00 21.34 H new ATOM 0 HA3 GLY A 670 2.414 12.744 0.231 1.00 21.34 H new ATOM 1350 N ASN A 671 3.682 14.964 -0.628 1.00 33.43 N ATOM 1351 CA ASN A 671 3.901 16.375 -0.831 1.00 62.53 C ATOM 1352 C ASN A 671 4.588 16.629 -2.174 1.00 30.42 C ATOM 1353 O ASN A 671 5.801 16.807 -2.249 1.00 44.02 O ATOM 1354 CB ASN A 671 4.653 17.018 0.357 1.00 11.20 C ATOM 1355 CG ASN A 671 4.856 18.526 0.220 1.00 13.41 C ATOM 1356 OD1 ASN A 671 3.992 19.316 0.601 1.00 33.43 O ATOM 1357 ND2 ASN A 671 5.999 18.932 -0.278 1.00 60.21 N ATOM 0 H ASN A 671 4.399 14.493 -0.076 1.00 33.43 H new ATOM 0 HA ASN A 671 2.929 16.867 -0.870 1.00 62.53 H new ATOM 0 HB2 ASN A 671 4.100 16.818 1.275 1.00 11.20 H new ATOM 0 HB3 ASN A 671 5.626 16.538 0.460 1.00 11.20 H new ATOM 0 HD21 ASN A 671 6.194 19.930 -0.359 1.00 60.21 H new ATOM 0 HD22 ASN A 671 6.693 18.250 -0.584 1.00 60.21 H new ATOM 1364 N LYS A 672 3.779 16.533 -3.230 1.00 30.24 N ATOM 1365 CA LYS A 672 4.163 16.772 -4.635 1.00 33.23 C ATOM 1366 C LYS A 672 2.970 16.470 -5.534 1.00 4.43 C ATOM 1367 O LYS A 672 2.798 17.067 -6.595 1.00 45.32 O ATOM 1368 CB LYS A 672 5.460 16.006 -5.057 1.00 41.10 C ATOM 1369 CG LYS A 672 5.448 14.471 -4.965 1.00 14.51 C ATOM 1370 CD LYS A 672 4.785 13.790 -6.156 1.00 25.22 C ATOM 1371 CE LYS A 672 5.573 14.030 -7.443 1.00 65.12 C ATOM 1372 NZ LYS A 672 5.019 13.276 -8.581 1.00 44.23 N ATOM 0 H LYS A 672 2.797 16.276 -3.133 1.00 30.24 H new ATOM 0 HA LYS A 672 4.428 17.823 -4.749 1.00 33.23 H new ATOM 0 HB2 LYS A 672 5.689 16.278 -6.087 1.00 41.10 H new ATOM 0 HB3 LYS A 672 6.281 16.372 -4.440 1.00 41.10 H new ATOM 0 HG2 LYS A 672 6.474 14.113 -4.878 1.00 14.51 H new ATOM 0 HG3 LYS A 672 4.929 14.175 -4.053 1.00 14.51 H new ATOM 0 HD2 LYS A 672 4.708 12.719 -5.969 1.00 25.22 H new ATOM 0 HD3 LYS A 672 3.769 14.167 -6.274 1.00 25.22 H new ATOM 0 HE2 LYS A 672 5.568 15.095 -7.677 1.00 65.12 H new ATOM 0 HE3 LYS A 672 6.613 13.742 -7.290 1.00 65.12 H new ATOM 0 HZ1 LYS A 672 5.584 13.468 -9.433 1.00 44.23 H new ATOM 0 HZ2 LYS A 672 5.047 12.258 -8.370 1.00 44.23 H new ATOM 0 HZ3 LYS A 672 4.035 13.569 -8.745 1.00 44.23 H new ATOM 1386 N ARG A 673 2.153 15.524 -5.094 1.00 3.33 N ATOM 1387 CA ARG A 673 0.865 15.242 -5.746 1.00 24.51 C ATOM 1388 C ARG A 673 -0.193 16.231 -5.281 1.00 44.11 C ATOM 1389 O ARG A 673 -1.156 16.506 -5.995 1.00 51.53 O ATOM 1390 CB ARG A 673 0.379 13.807 -5.461 1.00 11.14 C ATOM 1391 CG ARG A 673 1.085 12.698 -6.227 1.00 74.31 C ATOM 1392 CD ARG A 673 0.761 12.767 -7.719 1.00 2.45 C ATOM 1393 NE ARG A 673 1.387 11.679 -8.468 1.00 13.13 N ATOM 1394 CZ ARG A 673 1.288 11.483 -9.793 1.00 61.42 C ATOM 1395 NH1 ARG A 673 0.556 12.299 -10.543 1.00 11.10 N ATOM 1396 NH2 ARG A 673 1.918 10.461 -10.358 1.00 65.43 N ATOM 0 H ARG A 673 2.352 14.933 -4.287 1.00 3.33 H new ATOM 0 HA ARG A 673 1.020 15.344 -6.820 1.00 24.51 H new ATOM 0 HB2 ARG A 673 0.490 13.612 -4.394 1.00 11.14 H new ATOM 0 HB3 ARG A 673 -0.686 13.754 -5.685 1.00 11.14 H new ATOM 0 HG2 ARG A 673 2.162 12.780 -6.081 1.00 74.31 H new ATOM 0 HG3 ARG A 673 0.783 11.729 -5.831 1.00 74.31 H new ATOM 0 HD2 ARG A 673 -0.319 12.727 -7.857 1.00 2.45 H new ATOM 0 HD3 ARG A 673 1.098 13.723 -8.119 1.00 2.45 H new ATOM 0 HE ARG A 673 1.947 11.011 -7.939 1.00 13.13 H new ATOM 0 HH11 ARG A 673 0.063 13.082 -10.113 1.00 11.10 H new ATOM 0 HH12 ARG A 673 0.486 12.143 -11.549 1.00 11.10 H new ATOM 0 HH21 ARG A 673 2.476 9.827 -9.786 1.00 65.43 H new ATOM 0 HH22 ARG A 673 1.845 10.310 -11.364 1.00 65.43 H new ATOM 1410 N GLY A 674 -0.022 16.741 -4.074 1.00 52.32 N ATOM 1411 CA GLY A 674 -0.975 17.681 -3.513 1.00 73.43 C ATOM 1412 C GLY A 674 -1.897 16.980 -2.560 1.00 4.30 C ATOM 1413 O GLY A 674 -2.273 17.509 -1.504 1.00 54.11 O ATOM 0 H GLY A 674 0.766 16.520 -3.465 1.00 52.32 H new ATOM 0 HA2 GLY A 674 -0.446 18.481 -2.996 1.00 73.43 H new ATOM 0 HA3 GLY A 674 -1.552 18.146 -4.313 1.00 73.43 H new ATOM 1417 N MET A 675 -2.251 15.782 -2.924 1.00 43.52 N ATOM 1418 CA MET A 675 -3.053 14.939 -2.105 1.00 75.13 C ATOM 1419 C MET A 675 -2.469 13.553 -2.137 1.00 53.03 C ATOM 1420 O MET A 675 -1.739 13.196 -3.073 1.00 5.54 O ATOM 1421 CB MET A 675 -4.530 14.909 -2.556 1.00 63.25 C ATOM 1422 CG MET A 675 -4.767 14.336 -3.948 1.00 3.42 C ATOM 1423 SD MET A 675 -6.520 14.219 -4.374 1.00 44.13 S ATOM 1424 CE MET A 675 -7.043 15.929 -4.239 1.00 55.01 C ATOM 0 H MET A 675 -1.983 15.362 -3.814 1.00 43.52 H new ATOM 0 HA MET A 675 -3.048 15.337 -1.090 1.00 75.13 H new ATOM 0 HB2 MET A 675 -5.102 14.324 -1.836 1.00 63.25 H new ATOM 0 HB3 MET A 675 -4.924 15.925 -2.526 1.00 63.25 H new ATOM 0 HG2 MET A 675 -4.261 14.961 -4.683 1.00 3.42 H new ATOM 0 HG3 MET A 675 -4.317 13.345 -4.009 1.00 3.42 H new ATOM 0 HE1 MET A 675 -8.004 16.056 -4.738 1.00 55.01 H new ATOM 0 HE2 MET A 675 -7.142 16.197 -3.187 1.00 55.01 H new ATOM 0 HE3 MET A 675 -6.302 16.574 -4.710 1.00 55.01 H new ATOM 1434 N ILE A 676 -2.771 12.797 -1.153 1.00 44.20 N ATOM 1435 CA ILE A 676 -2.299 11.472 -1.050 1.00 12.10 C ATOM 1436 C ILE A 676 -3.441 10.496 -1.238 1.00 62.43 C ATOM 1437 O ILE A 676 -4.513 10.652 -0.669 1.00 23.23 O ATOM 1438 CB ILE A 676 -1.557 11.211 0.290 1.00 52.03 C ATOM 1439 CG1 ILE A 676 -1.214 9.733 0.400 1.00 15.43 C ATOM 1440 CG2 ILE A 676 -2.385 11.672 1.472 1.00 63.13 C ATOM 1441 CD1 ILE A 676 -0.423 9.357 1.582 1.00 21.14 C ATOM 0 H ILE A 676 -3.367 13.089 -0.378 1.00 44.20 H new ATOM 0 HA ILE A 676 -1.569 11.320 -1.845 1.00 12.10 H new ATOM 0 HB ILE A 676 -0.633 11.789 0.301 1.00 52.03 H new ATOM 0 HG12 ILE A 676 -2.142 9.161 0.407 1.00 15.43 H new ATOM 0 HG13 ILE A 676 -0.664 9.437 -0.494 1.00 15.43 H new ATOM 0 HG21 ILE A 676 -1.841 11.477 2.396 1.00 63.13 H new ATOM 0 HG22 ILE A 676 -2.580 12.741 1.385 1.00 63.13 H new ATOM 0 HG23 ILE A 676 -3.331 11.131 1.487 1.00 63.13 H new ATOM 0 HD11 ILE A 676 -0.232 8.284 1.566 1.00 21.14 H new ATOM 0 HD12 ILE A 676 0.525 9.894 1.571 1.00 21.14 H new ATOM 0 HD13 ILE A 676 -0.975 9.614 2.486 1.00 21.14 H new ATOM 1453 N GLN A 677 -3.212 9.528 -2.056 1.00 71.35 N ATOM 1454 CA GLN A 677 -4.203 8.543 -2.372 1.00 72.44 C ATOM 1455 C GLN A 677 -3.936 7.259 -1.617 1.00 51.52 C ATOM 1456 O GLN A 677 -2.857 6.706 -1.694 1.00 52.11 O ATOM 1457 CB GLN A 677 -4.218 8.285 -3.867 1.00 43.20 C ATOM 1458 CG GLN A 677 -5.241 7.261 -4.290 1.00 15.14 C ATOM 1459 CD GLN A 677 -5.358 7.108 -5.787 1.00 15.41 C ATOM 1460 OE1 GLN A 677 -5.662 6.032 -6.281 1.00 12.43 O ATOM 1461 NE2 GLN A 677 -5.159 8.174 -6.514 1.00 72.23 N ATOM 0 H GLN A 677 -2.321 9.391 -2.534 1.00 71.35 H new ATOM 0 HA GLN A 677 -5.180 8.920 -2.069 1.00 72.44 H new ATOM 0 HB2 GLN A 677 -4.417 9.222 -4.387 1.00 43.20 H new ATOM 0 HB3 GLN A 677 -3.229 7.950 -4.180 1.00 43.20 H new ATOM 0 HG2 GLN A 677 -4.980 6.297 -3.854 1.00 15.14 H new ATOM 0 HG3 GLN A 677 -6.213 7.542 -3.885 1.00 15.14 H new ATOM 0 HE21 GLN A 677 -4.906 9.056 -6.068 1.00 72.23 H new ATOM 0 HE22 GLN A 677 -5.256 8.125 -7.528 1.00 72.23 H new ATOM 1470 N LEU A 678 -4.899 6.803 -0.888 1.00 60.44 N ATOM 1471 CA LEU A 678 -4.765 5.588 -0.141 1.00 2.11 C ATOM 1472 C LEU A 678 -5.725 4.582 -0.689 1.00 73.04 C ATOM 1473 O LEU A 678 -6.915 4.878 -0.851 1.00 23.30 O ATOM 1474 CB LEU A 678 -5.083 5.777 1.364 1.00 65.12 C ATOM 1475 CG LEU A 678 -4.308 6.843 2.149 1.00 74.42 C ATOM 1476 CD1 LEU A 678 -2.820 6.635 2.015 1.00 61.25 C ATOM 1477 CD2 LEU A 678 -4.731 8.257 1.758 1.00 4.35 C ATOM 0 H LEU A 678 -5.805 7.260 -0.790 1.00 60.44 H new ATOM 0 HA LEU A 678 -3.729 5.261 -0.232 1.00 2.11 H new ATOM 0 HB2 LEU A 678 -6.145 6.008 1.452 1.00 65.12 H new ATOM 0 HB3 LEU A 678 -4.923 4.819 1.859 1.00 65.12 H new ATOM 0 HG LEU A 678 -4.559 6.728 3.203 1.00 74.42 H new ATOM 0 HD11 LEU A 678 -2.293 7.403 2.580 1.00 61.25 H new ATOM 0 HD12 LEU A 678 -2.554 5.652 2.403 1.00 61.25 H new ATOM 0 HD13 LEU A 678 -2.537 6.699 0.964 1.00 61.25 H new ATOM 0 HD21 LEU A 678 -4.158 8.981 2.337 1.00 4.35 H new ATOM 0 HD22 LEU A 678 -4.544 8.412 0.695 1.00 4.35 H new ATOM 0 HD23 LEU A 678 -5.794 8.388 1.962 1.00 4.35 H new ATOM 1489 N ILE A 679 -5.237 3.429 -1.004 1.00 54.52 N ATOM 1490 CA ILE A 679 -6.087 2.368 -1.418 1.00 31.13 C ATOM 1491 C ILE A 679 -6.116 1.374 -0.293 1.00 64.24 C ATOM 1492 O ILE A 679 -5.081 0.796 0.065 1.00 12.13 O ATOM 1493 CB ILE A 679 -5.646 1.641 -2.744 1.00 50.03 C ATOM 1494 CG1 ILE A 679 -5.582 2.590 -3.969 1.00 10.24 C ATOM 1495 CG2 ILE A 679 -6.592 0.496 -3.049 1.00 13.35 C ATOM 1496 CD1 ILE A 679 -4.456 3.603 -3.959 1.00 23.33 C ATOM 0 H ILE A 679 -4.244 3.198 -0.982 1.00 54.52 H new ATOM 0 HA ILE A 679 -7.063 2.797 -1.644 1.00 31.13 H new ATOM 0 HB ILE A 679 -4.637 1.269 -2.569 1.00 50.03 H new ATOM 0 HG12 ILE A 679 -5.492 1.984 -4.870 1.00 10.24 H new ATOM 0 HG13 ILE A 679 -6.528 3.127 -4.039 1.00 10.24 H new ATOM 0 HG21 ILE A 679 -6.279 -0.000 -3.968 1.00 13.35 H new ATOM 0 HG22 ILE A 679 -6.575 -0.219 -2.226 1.00 13.35 H new ATOM 0 HG23 ILE A 679 -7.604 0.883 -3.173 1.00 13.35 H new ATOM 0 HD11 ILE A 679 -4.507 4.213 -4.861 1.00 23.33 H new ATOM 0 HD12 ILE A 679 -4.551 4.244 -3.082 1.00 23.33 H new ATOM 0 HD13 ILE A 679 -3.499 3.083 -3.927 1.00 23.33 H new ATOM 1508 N VAL A 680 -7.258 1.187 0.260 1.00 63.21 N ATOM 1509 CA VAL A 680 -7.437 0.309 1.379 1.00 54.11 C ATOM 1510 C VAL A 680 -8.459 -0.755 1.014 1.00 52.40 C ATOM 1511 O VAL A 680 -9.045 -0.685 -0.059 1.00 14.32 O ATOM 1512 CB VAL A 680 -7.844 1.096 2.666 1.00 65.12 C ATOM 1513 CG1 VAL A 680 -6.721 2.004 3.132 1.00 44.10 C ATOM 1514 CG2 VAL A 680 -9.109 1.910 2.449 1.00 74.35 C ATOM 0 H VAL A 680 -8.116 1.643 -0.051 1.00 63.21 H new ATOM 0 HA VAL A 680 -6.490 -0.179 1.610 1.00 54.11 H new ATOM 0 HB VAL A 680 -8.042 0.355 3.441 1.00 65.12 H new ATOM 0 HG11 VAL A 680 -7.034 2.538 4.029 1.00 44.10 H new ATOM 0 HG12 VAL A 680 -5.838 1.405 3.356 1.00 44.10 H new ATOM 0 HG13 VAL A 680 -6.484 2.721 2.347 1.00 44.10 H new ATOM 0 HG21 VAL A 680 -9.360 2.443 3.366 1.00 74.35 H new ATOM 0 HG22 VAL A 680 -8.946 2.628 1.645 1.00 74.35 H new ATOM 0 HG23 VAL A 680 -9.929 1.244 2.180 1.00 74.35 H new ATOM 1524 N ALA A 681 -8.659 -1.724 1.852 1.00 50.24 N ATOM 1525 CA ALA A 681 -9.511 -2.834 1.508 1.00 74.32 C ATOM 1526 C ALA A 681 -10.389 -3.256 2.648 1.00 32.02 C ATOM 1527 O ALA A 681 -9.915 -3.551 3.761 1.00 65.24 O ATOM 1528 CB ALA A 681 -8.684 -4.016 1.058 1.00 2.22 C ATOM 0 H ALA A 681 -8.246 -1.775 2.783 1.00 50.24 H new ATOM 0 HA ALA A 681 -10.152 -2.494 0.695 1.00 74.32 H new ATOM 0 HB1 ALA A 681 -9.344 -4.845 0.802 1.00 2.22 H new ATOM 0 HB2 ALA A 681 -8.096 -3.737 0.184 1.00 2.22 H new ATOM 0 HB3 ALA A 681 -8.015 -4.320 1.863 1.00 2.22 H new ATOM 1534 N ARG A 682 -11.654 -3.336 2.386 1.00 4.13 N ATOM 1535 CA ARG A 682 -12.564 -3.790 3.376 1.00 61.54 C ATOM 1536 C ARG A 682 -13.288 -5.027 2.860 1.00 14.42 C ATOM 1537 O ARG A 682 -13.720 -5.068 1.699 1.00 52.21 O ATOM 1538 CB ARG A 682 -13.493 -2.636 3.858 1.00 73.13 C ATOM 1539 CG ARG A 682 -14.511 -2.091 2.877 1.00 31.22 C ATOM 1540 CD ARG A 682 -15.742 -2.954 2.853 1.00 24.35 C ATOM 1541 NE ARG A 682 -16.739 -2.471 1.915 1.00 2.14 N ATOM 1542 CZ ARG A 682 -18.052 -2.555 2.090 1.00 41.23 C ATOM 1543 NH1 ARG A 682 -18.555 -2.999 3.240 1.00 63.31 N ATOM 1544 NH2 ARG A 682 -18.860 -2.170 1.118 1.00 63.31 N ATOM 0 H ARG A 682 -12.077 -3.091 1.491 1.00 4.13 H new ATOM 0 HA ARG A 682 -12.031 -4.098 4.276 1.00 61.54 H new ATOM 0 HB2 ARG A 682 -14.031 -2.985 4.739 1.00 73.13 H new ATOM 0 HB3 ARG A 682 -12.860 -1.808 4.178 1.00 73.13 H new ATOM 0 HG2 ARG A 682 -14.781 -1.072 3.154 1.00 31.22 H new ATOM 0 HG3 ARG A 682 -14.074 -2.045 1.880 1.00 31.22 H new ATOM 0 HD2 ARG A 682 -15.462 -3.974 2.588 1.00 24.35 H new ATOM 0 HD3 ARG A 682 -16.176 -2.991 3.852 1.00 24.35 H new ATOM 0 HE ARG A 682 -16.405 -2.034 1.056 1.00 2.14 H new ATOM 0 HH11 ARG A 682 -17.930 -3.278 3.996 1.00 63.31 H new ATOM 0 HH12 ARG A 682 -19.565 -3.060 3.365 1.00 63.31 H new ATOM 0 HH21 ARG A 682 -18.473 -1.813 0.244 1.00 63.31 H new ATOM 0 HH22 ARG A 682 -19.871 -2.230 1.241 1.00 63.31 H new ATOM 1839 N GLU B 780 4.886 -2.214 15.812 1.00 73.10 N ATOM 1840 CA GLU B 780 3.977 -2.629 14.755 1.00 53.00 C ATOM 1841 C GLU B 780 3.210 -1.426 14.317 1.00 3.04 C ATOM 1842 O GLU B 780 2.538 -1.456 13.338 1.00 65.20 O ATOM 1843 CB GLU B 780 2.945 -3.692 15.135 1.00 70.43 C ATOM 1844 CG GLU B 780 3.436 -4.997 15.709 1.00 52.51 C ATOM 1845 CD GLU B 780 2.259 -5.937 16.004 1.00 21.00 C ATOM 1846 OE1 GLU B 780 1.504 -5.675 16.979 1.00 64.24 O ATOM 1847 OE2 GLU B 780 2.060 -6.940 15.280 1.00 41.24 O ATOM 0 HA GLU B 780 4.611 -3.075 13.988 1.00 53.00 H new ATOM 0 HB2 GLU B 780 2.262 -3.247 15.859 1.00 70.43 H new ATOM 0 HB3 GLU B 780 2.361 -3.921 14.244 1.00 70.43 H new ATOM 0 HG2 GLU B 780 4.121 -5.473 15.008 1.00 52.51 H new ATOM 0 HG3 GLU B 780 3.996 -4.809 16.625 1.00 52.51 H new ATOM 1854 N GLU B 781 3.355 -0.367 15.033 1.00 13.53 N ATOM 1855 CA GLU B 781 2.564 0.831 14.788 1.00 0.12 C ATOM 1856 C GLU B 781 3.363 1.908 14.089 1.00 41.20 C ATOM 1857 O GLU B 781 4.551 2.091 14.343 1.00 10.33 O ATOM 1858 CB GLU B 781 1.979 1.440 16.078 1.00 13.55 C ATOM 1859 CG GLU B 781 0.949 0.625 16.858 1.00 14.15 C ATOM 1860 CD GLU B 781 1.526 -0.589 17.533 1.00 62.14 C ATOM 1861 OE1 GLU B 781 2.233 -0.427 18.550 1.00 32.10 O ATOM 1862 OE2 GLU B 781 1.272 -1.702 17.089 1.00 33.42 O ATOM 0 H GLU B 781 4.016 -0.286 15.806 1.00 13.53 H new ATOM 0 HA GLU B 781 1.748 0.495 14.148 1.00 0.12 H new ATOM 0 HB2 GLU B 781 2.809 1.658 16.750 1.00 13.55 H new ATOM 0 HB3 GLU B 781 1.521 2.394 15.818 1.00 13.55 H new ATOM 0 HG2 GLU B 781 0.488 1.264 17.611 1.00 14.15 H new ATOM 0 HG3 GLU B 781 0.157 0.310 16.178 1.00 14.15 H new ATOM 1869 N LEU B 782 2.695 2.612 13.208 1.00 51.31 N ATOM 1870 CA LEU B 782 3.255 3.699 12.476 1.00 43.21 C ATOM 1871 C LEU B 782 2.152 4.763 12.350 1.00 70.35 C ATOM 1872 O LEU B 782 0.988 4.425 12.152 1.00 51.30 O ATOM 1873 CB LEU B 782 3.723 3.137 11.102 1.00 54.55 C ATOM 1874 CG LEU B 782 4.502 4.028 10.124 1.00 10.32 C ATOM 1875 CD1 LEU B 782 3.638 5.085 9.522 1.00 45.43 C ATOM 1876 CD2 LEU B 782 5.715 4.630 10.798 1.00 40.33 C ATOM 0 H LEU B 782 1.717 2.431 12.981 1.00 51.31 H new ATOM 0 HA LEU B 782 4.118 4.159 12.957 1.00 43.21 H new ATOM 0 HB2 LEU B 782 4.342 2.263 11.305 1.00 54.55 H new ATOM 0 HB3 LEU B 782 2.835 2.784 10.579 1.00 54.55 H new ATOM 0 HG LEU B 782 4.845 3.394 9.306 1.00 10.32 H new ATOM 0 HD11 LEU B 782 4.230 5.692 8.837 1.00 45.43 H new ATOM 0 HD12 LEU B 782 2.818 4.618 8.977 1.00 45.43 H new ATOM 0 HD13 LEU B 782 3.234 5.719 10.312 1.00 45.43 H new ATOM 0 HD21 LEU B 782 6.252 5.258 10.087 1.00 40.33 H new ATOM 0 HD22 LEU B 782 5.397 5.234 11.647 1.00 40.33 H new ATOM 0 HD23 LEU B 782 6.371 3.832 11.146 1.00 40.33 H new ATOM 1888 N ILE B 783 2.489 6.005 12.539 1.00 3.54 N ATOM 1889 CA ILE B 783 1.499 7.078 12.412 1.00 22.32 C ATOM 1890 C ILE B 783 1.830 7.903 11.184 1.00 72.31 C ATOM 1891 O ILE B 783 2.994 8.268 10.974 1.00 11.21 O ATOM 1892 CB ILE B 783 1.409 8.039 13.675 1.00 12.25 C ATOM 1893 CG1 ILE B 783 1.050 7.285 14.988 1.00 60.31 C ATOM 1894 CG2 ILE B 783 0.375 9.156 13.439 1.00 4.45 C ATOM 1895 CD1 ILE B 783 2.129 6.359 15.527 1.00 33.31 C ATOM 0 H ILE B 783 3.430 6.317 12.780 1.00 3.54 H new ATOM 0 HA ILE B 783 0.526 6.594 12.329 1.00 22.32 H new ATOM 0 HB ILE B 783 2.404 8.467 13.797 1.00 12.25 H new ATOM 0 HG12 ILE B 783 0.811 8.021 15.755 1.00 60.31 H new ATOM 0 HG13 ILE B 783 0.147 6.700 14.815 1.00 60.31 H new ATOM 0 HG21 ILE B 783 0.330 9.802 14.316 1.00 4.45 H new ATOM 0 HG22 ILE B 783 0.668 9.745 12.570 1.00 4.45 H new ATOM 0 HG23 ILE B 783 -0.605 8.713 13.264 1.00 4.45 H new ATOM 0 HD11 ILE B 783 1.777 5.884 16.443 1.00 33.31 H new ATOM 0 HD12 ILE B 783 2.355 5.593 14.785 1.00 33.31 H new ATOM 0 HD13 ILE B 783 3.030 6.935 15.740 1.00 33.31 H new ATOM 1907 N ILE B 784 0.839 8.179 10.372 1.00 34.21 N ATOM 1908 CA ILE B 784 1.048 8.947 9.190 1.00 73.54 C ATOM 1909 C ILE B 784 0.330 10.291 9.269 1.00 53.10 C ATOM 1910 O ILE B 784 0.959 11.255 9.731 1.00 38.62 O ATOM 1911 CB ILE B 784 0.732 8.166 7.878 1.00 52.43 C ATOM 1912 CG1 ILE B 784 -0.633 7.470 7.939 1.00 25.43 C ATOM 1913 CG2 ILE B 784 1.852 7.167 7.540 1.00 34.11 C ATOM 1914 CD1 ILE B 784 -1.005 6.767 6.655 1.00 54.12 C ATOM 1915 OXT ILE B 784 -0.859 10.387 8.904 1.00 38.62 O ATOM 0 H ILE B 784 -0.124 7.876 10.518 1.00 34.21 H new ATOM 0 HA ILE B 784 2.117 9.154 9.138 1.00 73.54 H new ATOM 0 HB ILE B 784 0.683 8.899 7.073 1.00 52.43 H new ATOM 0 HG12 ILE B 784 -0.627 6.745 8.753 1.00 25.43 H new ATOM 0 HG13 ILE B 784 -1.399 8.209 8.175 1.00 25.43 H new ATOM 0 HG21 ILE B 784 1.602 6.638 6.620 1.00 34.11 H new ATOM 0 HG22 ILE B 784 2.791 7.704 7.406 1.00 34.11 H new ATOM 0 HG23 ILE B 784 1.957 6.450 8.354 1.00 34.11 H new ATOM 0 HD11 ILE B 784 -1.982 6.296 6.768 1.00 54.12 H new ATOM 0 HD12 ILE B 784 -1.043 7.491 5.841 1.00 54.12 H new ATOM 0 HD13 ILE B 784 -0.259 6.005 6.428 1.00 54.12 H new