USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 588 TYR OH : rot 180:sc= -0.983 USER MOD Set 1.2: A 622 GLN : amide:sc= -3.39 K(o=-4.4,f=-8.5!) USER MOD Set 2.1: A 581 ASN : amide:sc= -6.1! C(o=-8.8!,f=-18!) USER MOD Set 2.2: A 583 ASN :FLIP amide:sc= -2.65! C(o=-11!,f=-8.8!) USER MOD Set 3.1: A 571 LYS NZ :NH3+ 178:sc= -0.581 (180deg=0) USER MOD Set 3.2: A 577 HIS : no HD1:sc= -18.6! C(o=-19!,f=-21!) USER MOD Set 4.1: A 556 CYS SG : rot -155:sc= 0.289 USER MOD Set 4.2: A 559 CYS SG : rot 7:sc= -19.5! USER MOD Set 4.3: A 612 CYS SG : rot -144:sc= -0.991 USER MOD Set 4.4: A 615 CYS SG : rot 22:sc= -26.5! USER MOD Set 5.1: A 553 GLN : amide:sc= -1.98 K(o=-3.4,f=-8.2!) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -1.45 X(o=-3.4,f=-3.6) USER MOD Single : A 546 GLN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.578 X(o=-0.58,f=-0.57) USER MOD Single : A 558 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.1!) USER MOD Single : A 560 MET CE :methyl -139:sc= -2.66 (180deg=-7.86!) USER MOD Single : A 567 SER OG : rot -40:sc= -1.27! USER MOD Single : A 575 THR OG1 : rot -169:sc= -0.462 USER MOD Single : A 576 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 579 ASN :FLIP amide:sc= -0.0312 F(o=-3.2,f=-0.031) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 587 TYR OH : rot -76:sc= 0.885 USER MOD Single : A 589 ASN :FLIP amide:sc= -0.621 F(o=-2.1!,f=-0.62) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN :FLIP amide:sc= -2.84 F(o=-4!,f=-2.8) USER MOD Single : A 623 MET CE :methyl 146:sc= -3.96! (180deg=-5.01!) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -83:sc= 0.674 USER MOD Single : A 629 LYS NZ :NH3+ -132:sc= -0.264 (180deg=-1.16!) USER MOD Single : A 634 LYS NZ :NH3+ 152:sc= -1.17 (180deg=-2.3!) USER MOD Single : A 637 SER OG : rot 160:sc= -0.231 USER MOD Single : A 638 MET CE :methyl 162:sc= -10.1! (180deg=-10.9!) USER MOD Single : A 642 THR OG1 : rot -90:sc= 0.56 USER MOD Single : A 644 GLN :FLIP amide:sc= -1.7 F(o=-3.3!,f=-1.7) USER MOD Single : A 648 GLN : amide:sc= -4.86! C(o=-4.9!,f=-5.5!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot -25:sc= 0.0931 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.139 -5.752 2.864 1.00 55.14 N ATOM 57 CA GLN A 546 5.834 -6.574 3.839 1.00 31.40 C ATOM 58 C GLN A 546 4.866 -7.035 4.931 1.00 4.33 C ATOM 59 O GLN A 546 3.960 -6.297 5.314 1.00 51.41 O ATOM 60 CB GLN A 546 7.023 -5.824 4.441 1.00 43.40 C ATOM 61 CG GLN A 546 8.283 -6.023 3.595 1.00 33.44 C ATOM 62 CD GLN A 546 9.386 -5.050 4.016 1.00 55.20 C ATOM 63 OE1 GLN A 546 10.442 -5.435 4.489 1.00 62.11 O ATOM 64 NE2 GLN A 546 9.082 -3.770 3.818 1.00 70.21 N ATOM 0 HA GLN A 546 6.223 -7.456 3.330 1.00 31.40 H new ATOM 0 HB2 GLN A 546 6.790 -4.761 4.509 1.00 43.40 H new ATOM 0 HB3 GLN A 546 7.203 -6.176 5.457 1.00 43.40 H new ATOM 0 HG2 GLN A 546 8.638 -7.048 3.701 1.00 33.44 H new ATOM 0 HG3 GLN A 546 8.045 -5.875 2.542 1.00 33.44 H new ATOM 0 HE21 GLN A 546 8.179 -3.516 3.417 1.00 70.21 H new ATOM 0 HE22 GLN A 546 9.752 -3.042 4.067 1.00 70.21 H new ATOM 73 N PHE A 547 5.092 -8.252 5.402 1.00 21.34 N ATOM 74 CA PHE A 547 4.252 -8.820 6.443 1.00 14.20 C ATOM 75 C PHE A 547 5.053 -9.764 7.341 1.00 23.21 C ATOM 76 O PHE A 547 5.302 -10.912 6.975 1.00 5.14 O ATOM 77 CB PHE A 547 3.148 -9.615 5.743 1.00 63.34 C ATOM 78 CG PHE A 547 2.648 -8.976 4.446 1.00 61.15 C ATOM 79 CD1 PHE A 547 3.474 -8.886 3.369 1.00 24.02 C ATOM 80 CD2 PHE A 547 1.377 -8.498 4.369 1.00 21.20 C ATOM 81 CE1 PHE A 547 3.010 -8.293 2.165 1.00 2.03 C ATOM 82 CE2 PHE A 547 0.913 -7.905 3.165 1.00 31.23 C ATOM 83 CZ PHE A 547 1.739 -7.815 2.089 1.00 62.12 C ATOM 0 H PHE A 547 5.845 -8.861 5.082 1.00 21.34 H new ATOM 0 HA PHE A 547 3.847 -8.025 7.069 1.00 14.20 H new ATOM 0 HB2 PHE A 547 3.519 -10.616 5.523 1.00 63.34 H new ATOM 0 HB3 PHE A 547 2.307 -9.730 6.427 1.00 63.34 H new ATOM 0 HD1 PHE A 547 4.483 -9.266 3.430 1.00 24.02 H new ATOM 0 HD2 PHE A 547 0.721 -8.569 5.224 1.00 21.20 H new ATOM 0 HE1 PHE A 547 3.666 -8.222 1.310 1.00 2.03 H new ATOM 0 HE2 PHE A 547 -0.096 -7.525 3.104 1.00 31.23 H new ATOM 0 HZ PHE A 547 1.386 -7.364 1.174 1.00 62.12 H new ATOM 93 N PRO A 548 5.445 -9.232 8.530 1.00 61.41 N ATOM 94 CA PRO A 548 6.213 -10.015 9.483 1.00 63.10 C ATOM 95 C PRO A 548 5.326 -11.039 10.194 1.00 53.31 C ATOM 96 O PRO A 548 4.190 -10.736 10.556 1.00 51.51 O ATOM 97 CB PRO A 548 6.820 -8.994 10.432 1.00 62.43 C ATOM 98 CG PRO A 548 6.000 -7.726 10.259 1.00 23.04 C ATOM 99 CD PRO A 548 5.168 -7.877 8.996 1.00 21.05 C ATOM 0 HA PRO A 548 6.992 -10.610 9.007 1.00 63.10 H new ATOM 0 HB2 PRO A 548 6.781 -9.347 11.463 1.00 62.43 H new ATOM 0 HB3 PRO A 548 7.869 -8.816 10.196 1.00 62.43 H new ATOM 0 HG2 PRO A 548 5.356 -7.567 11.124 1.00 23.04 H new ATOM 0 HG3 PRO A 548 6.653 -6.856 10.184 1.00 23.04 H new ATOM 0 HD2 PRO A 548 4.107 -7.738 9.202 1.00 21.05 H new ATOM 0 HD3 PRO A 548 5.447 -7.136 8.247 1.00 21.05 H new ATOM 107 N VAL A 549 5.877 -12.230 10.373 1.00 45.13 N ATOM 108 CA VAL A 549 5.150 -13.300 11.034 1.00 1.10 C ATOM 109 C VAL A 549 4.551 -12.772 12.339 1.00 34.51 C ATOM 110 O VAL A 549 3.410 -13.089 12.675 1.00 25.12 O ATOM 111 CB VAL A 549 6.068 -14.506 11.242 1.00 4.14 C ATOM 112 CG1 VAL A 549 6.474 -15.124 9.903 1.00 43.21 C ATOM 113 CG2 VAL A 549 7.300 -14.122 12.065 1.00 50.42 C ATOM 0 H VAL A 549 6.819 -12.478 10.071 1.00 45.13 H new ATOM 0 HA VAL A 549 4.323 -13.642 10.411 1.00 1.10 H new ATOM 0 HB VAL A 549 5.512 -15.257 11.802 1.00 4.14 H new ATOM 0 HG11 VAL A 549 7.126 -15.979 10.080 1.00 43.21 H new ATOM 0 HG12 VAL A 549 5.583 -15.452 9.368 1.00 43.21 H new ATOM 0 HG13 VAL A 549 7.003 -14.382 9.305 1.00 43.21 H new ATOM 0 HG21 VAL A 549 7.936 -14.997 12.198 1.00 50.42 H new ATOM 0 HG22 VAL A 549 7.858 -13.344 11.544 1.00 50.42 H new ATOM 0 HG23 VAL A 549 6.985 -13.751 13.040 1.00 50.42 H new ATOM 123 N GLU A 550 5.346 -11.977 13.039 1.00 13.12 N ATOM 124 CA GLU A 550 4.908 -11.402 14.300 1.00 33.51 C ATOM 125 C GLU A 550 3.614 -10.610 14.101 1.00 4.43 C ATOM 126 O GLU A 550 2.764 -10.569 14.989 1.00 23.14 O ATOM 127 CB GLU A 550 6.001 -10.524 14.911 1.00 10.04 C ATOM 128 CG GLU A 550 6.556 -9.541 13.879 1.00 63.34 C ATOM 129 CD GLU A 550 7.118 -8.291 14.558 1.00 13.31 C ATOM 130 OE1 GLU A 550 7.351 -7.273 13.889 1.00 72.22 O ATOM 131 OE2 GLU A 550 7.310 -8.401 15.829 1.00 45.31 O ATOM 0 H GLU A 550 6.291 -11.717 12.757 1.00 13.12 H new ATOM 0 HA GLU A 550 4.709 -12.215 14.998 1.00 33.51 H new ATOM 0 HB2 GLU A 550 5.598 -9.974 15.762 1.00 10.04 H new ATOM 0 HB3 GLU A 550 6.807 -11.152 15.290 1.00 10.04 H new ATOM 0 HG2 GLU A 550 7.339 -10.025 13.295 1.00 63.34 H new ATOM 0 HG3 GLU A 550 5.768 -9.257 13.182 1.00 63.34 H new ATOM 139 N HIS A 551 3.506 -9.999 12.931 1.00 44.34 N ATOM 140 CA HIS A 551 2.331 -9.209 12.604 1.00 20.21 C ATOM 141 C HIS A 551 1.239 -10.122 12.042 1.00 24.23 C ATOM 142 O HIS A 551 0.071 -9.740 11.991 1.00 63.33 O ATOM 143 CB HIS A 551 2.692 -8.064 11.656 1.00 41.00 C ATOM 144 CG HIS A 551 3.091 -6.788 12.358 1.00 14.22 C ATOM 145 ND1 HIS A 551 3.369 -5.614 11.680 1.00 74.14 N ATOM 146 CD2 HIS A 551 3.254 -6.514 13.684 1.00 13.14 C ATOM 147 CE1 HIS A 551 3.685 -4.683 12.567 1.00 15.42 C ATOM 148 NE2 HIS A 551 3.613 -5.242 13.809 1.00 22.30 N ATOM 0 H HIS A 551 4.213 -10.035 12.197 1.00 44.34 H new ATOM 0 HA HIS A 551 1.938 -8.744 13.508 1.00 20.21 H new ATOM 0 HB2 HIS A 551 3.511 -8.384 11.012 1.00 41.00 H new ATOM 0 HB3 HIS A 551 1.839 -7.859 11.009 1.00 41.00 H new ATOM 0 HD2 HIS A 551 3.115 -7.213 14.495 1.00 13.14 H new ATOM 0 HE1 HIS A 551 3.953 -3.660 12.346 1.00 15.42 H new ATOM 0 HE2 HIS A 551 3.804 -4.762 14.689 1.00 22.30 H new ATOM 156 N VAL A 552 1.659 -11.311 11.635 1.00 32.34 N ATOM 157 CA VAL A 552 0.731 -12.282 11.079 1.00 5.03 C ATOM 158 C VAL A 552 0.275 -13.236 12.185 1.00 60.22 C ATOM 159 O VAL A 552 1.097 -13.896 12.818 1.00 20.44 O ATOM 160 CB VAL A 552 1.378 -13.004 9.895 1.00 34.23 C ATOM 161 CG1 VAL A 552 0.562 -14.234 9.492 1.00 30.21 C ATOM 162 CG2 VAL A 552 1.562 -12.056 8.709 1.00 3.31 C ATOM 0 H VAL A 552 2.629 -11.624 11.679 1.00 32.34 H new ATOM 0 HA VAL A 552 -0.158 -11.784 10.693 1.00 5.03 H new ATOM 0 HB VAL A 552 2.365 -13.344 10.208 1.00 34.23 H new ATOM 0 HG11 VAL A 552 1.043 -14.729 8.649 1.00 30.21 H new ATOM 0 HG12 VAL A 552 0.505 -14.924 10.334 1.00 30.21 H new ATOM 0 HG13 VAL A 552 -0.444 -13.926 9.206 1.00 30.21 H new ATOM 0 HG21 VAL A 552 2.024 -12.594 7.881 1.00 3.31 H new ATOM 0 HG22 VAL A 552 0.591 -11.672 8.396 1.00 3.31 H new ATOM 0 HG23 VAL A 552 2.203 -11.225 9.004 1.00 3.31 H new ATOM 172 N GLN A 553 -1.034 -13.278 12.383 1.00 73.44 N ATOM 173 CA GLN A 553 -1.610 -14.141 13.401 1.00 50.25 C ATOM 174 C GLN A 553 -2.355 -15.307 12.749 1.00 61.54 C ATOM 175 O GLN A 553 -2.870 -15.177 11.639 1.00 30.32 O ATOM 176 CB GLN A 553 -2.534 -13.351 14.330 1.00 61.13 C ATOM 177 CG GLN A 553 -2.937 -14.189 15.545 1.00 65.43 C ATOM 178 CD GLN A 553 -3.324 -13.295 16.724 1.00 50.31 C ATOM 179 OE1 GLN A 553 -2.681 -13.277 17.761 1.00 73.42 O ATOM 180 NE2 GLN A 553 -4.408 -12.555 16.508 1.00 0.23 N ATOM 0 H GLN A 553 -1.713 -12.728 11.856 1.00 73.44 H new ATOM 0 HA GLN A 553 -0.800 -14.547 14.007 1.00 50.25 H new ATOM 0 HB2 GLN A 553 -2.032 -12.442 14.661 1.00 61.13 H new ATOM 0 HB3 GLN A 553 -3.426 -13.042 13.785 1.00 61.13 H new ATOM 0 HG2 GLN A 553 -3.775 -14.835 15.284 1.00 65.43 H new ATOM 0 HG3 GLN A 553 -2.111 -14.839 15.833 1.00 65.43 H new ATOM 0 HE21 GLN A 553 -4.899 -12.618 15.616 1.00 0.23 H new ATOM 0 HE22 GLN A 553 -4.748 -11.924 17.234 1.00 0.23 H new ATOM 189 N LEU A 554 -2.388 -16.421 13.466 1.00 74.15 N ATOM 190 CA LEU A 554 -3.062 -17.610 12.971 1.00 43.14 C ATOM 191 C LEU A 554 -4.515 -17.605 13.450 1.00 5.24 C ATOM 192 O LEU A 554 -4.778 -17.722 14.646 1.00 25.12 O ATOM 193 CB LEU A 554 -2.287 -18.868 13.367 1.00 35.53 C ATOM 194 CG LEU A 554 -1.059 -19.196 12.517 1.00 44.04 C ATOM 195 CD1 LEU A 554 -0.888 -20.708 12.360 1.00 63.23 C ATOM 196 CD2 LEU A 554 -1.122 -18.483 11.164 1.00 1.15 C ATOM 0 H LEU A 554 -1.959 -16.525 14.386 1.00 74.15 H new ATOM 0 HA LEU A 554 -3.087 -17.609 11.881 1.00 43.14 H new ATOM 0 HB2 LEU A 554 -1.968 -18.763 14.404 1.00 35.53 H new ATOM 0 HB3 LEU A 554 -2.969 -19.718 13.328 1.00 35.53 H new ATOM 0 HG LEU A 554 -0.176 -18.824 13.036 1.00 44.04 H new ATOM 0 HD11 LEU A 554 -0.007 -20.913 11.751 1.00 63.23 H new ATOM 0 HD12 LEU A 554 -0.765 -21.164 13.342 1.00 63.23 H new ATOM 0 HD13 LEU A 554 -1.770 -21.125 11.874 1.00 63.23 H new ATOM 0 HD21 LEU A 554 -0.237 -18.733 10.579 1.00 1.15 H new ATOM 0 HD22 LEU A 554 -2.015 -18.802 10.626 1.00 1.15 H new ATOM 0 HD23 LEU A 554 -1.159 -17.405 11.322 1.00 1.15 H new ATOM 208 N LEU A 555 -5.420 -17.468 12.493 1.00 41.32 N ATOM 209 CA LEU A 555 -6.839 -17.446 12.803 1.00 54.35 C ATOM 210 C LEU A 555 -7.586 -18.350 11.819 1.00 5.32 C ATOM 211 O LEU A 555 -7.000 -18.989 10.946 1.00 60.11 O ATOM 212 CB LEU A 555 -7.359 -16.007 12.831 1.00 33.14 C ATOM 213 CG LEU A 555 -6.383 -14.951 13.355 1.00 71.44 C ATOM 214 CD1 LEU A 555 -5.570 -14.342 12.211 1.00 54.50 C ATOM 215 CD2 LEU A 555 -7.115 -13.884 14.170 1.00 33.03 C ATOM 0 H LEU A 555 -5.198 -17.371 11.502 1.00 41.32 H new ATOM 0 HA LEU A 555 -7.017 -17.845 13.802 1.00 54.35 H new ATOM 0 HB2 LEU A 555 -7.655 -15.729 11.820 1.00 33.14 H new ATOM 0 HB3 LEU A 555 -8.259 -15.979 13.446 1.00 33.14 H new ATOM 0 HG LEU A 555 -5.678 -15.440 14.027 1.00 71.44 H new ATOM 0 HD11 LEU A 555 -4.884 -13.595 12.610 1.00 54.50 H new ATOM 0 HD12 LEU A 555 -5.002 -15.126 11.711 1.00 54.50 H new ATOM 0 HD13 LEU A 555 -6.244 -13.871 11.496 1.00 54.50 H new ATOM 0 HD21 LEU A 555 -6.398 -13.146 14.530 1.00 33.03 H new ATOM 0 HD22 LEU A 555 -7.857 -13.392 13.542 1.00 33.03 H new ATOM 0 HD23 LEU A 555 -7.612 -14.352 15.020 1.00 33.03 H new ATOM 227 N CYS A 556 -8.904 -18.389 11.982 1.00 74.10 N ATOM 228 CA CYS A 556 -9.757 -19.204 11.125 1.00 30.03 C ATOM 229 C CYS A 556 -10.568 -18.329 10.173 1.00 21.53 C ATOM 230 O CYS A 556 -11.495 -17.655 10.618 1.00 33.02 O ATOM 231 CB CYS A 556 -10.698 -20.061 11.974 1.00 70.44 C ATOM 232 SG CYS A 556 -11.299 -21.561 11.131 1.00 30.13 S ATOM 0 H CYS A 556 -9.405 -17.866 12.700 1.00 74.10 H new ATOM 0 HA CYS A 556 -9.116 -19.857 10.533 1.00 30.03 H new ATOM 0 HB2 CYS A 556 -10.181 -20.353 12.888 1.00 70.44 H new ATOM 0 HB3 CYS A 556 -11.555 -19.456 12.271 1.00 70.44 H new ATOM 0 HG CYS A 556 -12.433 -21.927 11.652 1.00 30.13 H new ATOM 237 N ILE A 557 -10.205 -18.359 8.899 1.00 1.34 N ATOM 238 CA ILE A 557 -10.905 -17.565 7.903 1.00 30.44 C ATOM 239 C ILE A 557 -12.397 -17.530 8.242 1.00 24.31 C ATOM 240 O ILE A 557 -13.074 -16.539 7.974 1.00 35.43 O ATOM 241 CB ILE A 557 -10.606 -18.087 6.496 1.00 1.34 C ATOM 242 CG1 ILE A 557 -11.622 -19.151 6.079 1.00 74.35 C ATOM 243 CG2 ILE A 557 -9.167 -18.597 6.395 1.00 31.01 C ATOM 244 CD1 ILE A 557 -11.369 -19.618 4.644 1.00 62.32 C ATOM 0 H ILE A 557 -9.436 -18.920 8.534 1.00 1.34 H new ATOM 0 HA ILE A 557 -10.550 -16.535 7.918 1.00 30.44 H new ATOM 0 HB ILE A 557 -10.703 -17.257 5.796 1.00 1.34 H new ATOM 0 HG12 ILE A 557 -11.562 -20.002 6.758 1.00 74.35 H new ATOM 0 HG13 ILE A 557 -12.631 -18.747 6.161 1.00 74.35 H new ATOM 0 HG21 ILE A 557 -8.980 -18.962 5.385 1.00 31.01 H new ATOM 0 HG22 ILE A 557 -8.476 -17.784 6.620 1.00 31.01 H new ATOM 0 HG23 ILE A 557 -9.018 -19.408 7.108 1.00 31.01 H new ATOM 0 HD11 ILE A 557 -12.105 -20.375 4.372 1.00 62.32 H new ATOM 0 HD12 ILE A 557 -11.453 -18.769 3.965 1.00 62.32 H new ATOM 0 HD13 ILE A 557 -10.368 -20.043 4.571 1.00 62.32 H new ATOM 256 N ASN A 558 -12.864 -18.624 8.826 1.00 51.11 N ATOM 257 CA ASN A 558 -14.263 -18.731 9.204 1.00 11.30 C ATOM 258 C ASN A 558 -14.470 -18.069 10.568 1.00 53.12 C ATOM 259 O ASN A 558 -15.166 -17.060 10.673 1.00 33.30 O ATOM 260 CB ASN A 558 -14.692 -20.195 9.319 1.00 53.32 C ATOM 261 CG ASN A 558 -15.003 -20.785 7.942 1.00 42.32 C ATOM 262 OD1 ASN A 558 -14.515 -20.332 6.919 1.00 2.13 O ATOM 263 ND2 ASN A 558 -15.840 -21.818 7.972 1.00 1.31 N ATOM 0 H ASN A 558 -12.299 -19.444 9.047 1.00 51.11 H new ATOM 0 HA ASN A 558 -14.859 -18.240 8.435 1.00 11.30 H new ATOM 0 HB2 ASN A 558 -13.901 -20.773 9.796 1.00 53.32 H new ATOM 0 HB3 ASN A 558 -15.572 -20.271 9.958 1.00 53.32 H new ATOM 0 HD21 ASN A 558 -16.110 -22.281 7.104 1.00 1.31 H new ATOM 0 HD22 ASN A 558 -16.212 -22.147 8.863 1.00 1.31 H new ATOM 270 N CYS A 559 -13.853 -18.664 11.578 1.00 12.43 N ATOM 271 CA CYS A 559 -13.961 -18.144 12.931 1.00 32.41 C ATOM 272 C CYS A 559 -13.289 -16.771 12.974 1.00 51.35 C ATOM 273 O CYS A 559 -13.949 -15.760 13.208 1.00 13.33 O ATOM 274 CB CYS A 559 -13.358 -19.107 13.956 1.00 0.12 C ATOM 275 SG CYS A 559 -13.634 -20.880 13.599 1.00 33.31 S ATOM 0 H CYS A 559 -13.277 -19.501 11.487 1.00 12.43 H new ATOM 0 HA CYS A 559 -15.012 -18.041 13.201 1.00 32.41 H new ATOM 0 HB2 CYS A 559 -12.285 -18.926 14.016 1.00 0.12 H new ATOM 0 HB3 CYS A 559 -13.775 -18.879 14.937 1.00 0.12 H new ATOM 0 HG CYS A 559 -14.182 -21.006 12.427 1.00 33.31 H new ATOM 280 N MET A 560 -11.985 -16.778 12.743 1.00 65.24 N ATOM 281 CA MET A 560 -11.216 -15.545 12.752 1.00 62.24 C ATOM 282 C MET A 560 -11.153 -14.948 14.159 1.00 74.11 C ATOM 283 O MET A 560 -11.303 -13.739 14.331 1.00 22.45 O ATOM 284 CB MET A 560 -11.857 -14.536 11.797 1.00 75.52 C ATOM 285 CG MET A 560 -11.162 -14.552 10.434 1.00 21.21 C ATOM 286 SD MET A 560 -12.061 -13.532 9.278 1.00 73.42 S ATOM 287 CE MET A 560 -13.674 -14.291 9.384 1.00 25.22 C ATOM 0 H MET A 560 -11.441 -17.618 12.548 1.00 65.24 H new ATOM 0 HA MET A 560 -10.200 -15.770 12.428 1.00 62.24 H new ATOM 0 HB2 MET A 560 -12.915 -14.769 11.673 1.00 75.52 H new ATOM 0 HB3 MET A 560 -11.799 -13.536 12.227 1.00 75.52 H new ATOM 0 HG2 MET A 560 -10.139 -14.188 10.534 1.00 21.21 H new ATOM 0 HG3 MET A 560 -11.102 -15.574 10.059 1.00 21.21 H new ATOM 0 HE1 MET A 560 -14.111 -14.359 8.388 1.00 25.22 H new ATOM 0 HE2 MET A 560 -13.578 -15.291 9.807 1.00 25.22 H new ATOM 0 HE3 MET A 560 -14.319 -13.687 10.022 1.00 25.22 H new ATOM 297 N VAL A 561 -10.932 -15.823 15.129 1.00 13.00 N ATOM 298 CA VAL A 561 -10.848 -15.397 16.516 1.00 73.32 C ATOM 299 C VAL A 561 -9.409 -15.560 17.008 1.00 20.45 C ATOM 300 O VAL A 561 -9.098 -15.225 18.150 1.00 12.13 O ATOM 301 CB VAL A 561 -11.861 -16.170 17.363 1.00 73.33 C ATOM 302 CG1 VAL A 561 -13.117 -16.497 16.553 1.00 54.23 C ATOM 303 CG2 VAL A 561 -11.236 -17.441 17.941 1.00 21.31 C ATOM 0 H VAL A 561 -10.809 -16.825 14.982 1.00 13.00 H new ATOM 0 HA VAL A 561 -11.106 -14.342 16.608 1.00 73.32 H new ATOM 0 HB VAL A 561 -12.156 -15.533 18.196 1.00 73.33 H new ATOM 0 HG11 VAL A 561 -13.820 -17.047 17.178 1.00 54.23 H new ATOM 0 HG12 VAL A 561 -13.581 -15.572 16.212 1.00 54.23 H new ATOM 0 HG13 VAL A 561 -12.846 -17.106 15.691 1.00 54.23 H new ATOM 0 HG21 VAL A 561 -11.977 -17.972 18.539 1.00 21.31 H new ATOM 0 HG22 VAL A 561 -10.899 -18.083 17.127 1.00 21.31 H new ATOM 0 HG23 VAL A 561 -10.386 -17.175 18.569 1.00 21.31 H new ATOM 313 N ALA A 562 -8.569 -16.076 16.123 1.00 40.32 N ATOM 314 CA ALA A 562 -7.170 -16.287 16.453 1.00 21.33 C ATOM 315 C ALA A 562 -7.023 -17.609 17.210 1.00 74.01 C ATOM 316 O ALA A 562 -7.422 -17.712 18.369 1.00 22.31 O ATOM 317 CB ALA A 562 -6.649 -15.094 17.257 1.00 20.42 C ATOM 0 H ALA A 562 -8.831 -16.354 15.177 1.00 40.32 H new ATOM 0 HA ALA A 562 -6.568 -16.357 15.547 1.00 21.33 H new ATOM 0 HB1 ALA A 562 -5.599 -15.253 17.504 1.00 20.42 H new ATOM 0 HB2 ALA A 562 -6.749 -14.185 16.665 1.00 20.42 H new ATOM 0 HB3 ALA A 562 -7.227 -14.994 18.176 1.00 20.42 H new ATOM 323 N VAL A 563 -6.451 -18.587 16.523 1.00 2.23 N ATOM 324 CA VAL A 563 -6.247 -19.898 17.116 1.00 3.31 C ATOM 325 C VAL A 563 -4.763 -20.079 17.443 1.00 71.51 C ATOM 326 O VAL A 563 -4.379 -21.062 18.075 1.00 30.12 O ATOM 327 CB VAL A 563 -6.791 -20.983 16.186 1.00 73.35 C ATOM 328 CG1 VAL A 563 -8.299 -21.161 16.374 1.00 31.32 C ATOM 329 CG2 VAL A 563 -6.454 -20.674 14.726 1.00 41.24 C ATOM 0 H VAL A 563 -6.122 -18.498 15.561 1.00 2.23 H new ATOM 0 HA VAL A 563 -6.799 -19.985 18.052 1.00 3.31 H new ATOM 0 HB VAL A 563 -6.307 -21.923 16.450 1.00 73.35 H new ATOM 0 HG11 VAL A 563 -8.660 -21.938 15.701 1.00 31.32 H new ATOM 0 HG12 VAL A 563 -8.506 -21.449 17.405 1.00 31.32 H new ATOM 0 HG13 VAL A 563 -8.807 -20.223 16.150 1.00 31.32 H new ATOM 0 HG21 VAL A 563 -6.852 -21.461 14.086 1.00 41.24 H new ATOM 0 HG22 VAL A 563 -6.897 -19.719 14.445 1.00 41.24 H new ATOM 0 HG23 VAL A 563 -5.372 -20.621 14.606 1.00 41.24 H new ATOM 339 N GLY A 564 -3.970 -19.117 16.997 1.00 5.32 N ATOM 340 CA GLY A 564 -2.537 -19.158 17.234 1.00 24.24 C ATOM 341 C GLY A 564 -1.847 -17.927 16.643 1.00 11.23 C ATOM 342 O GLY A 564 -2.491 -16.908 16.399 1.00 10.44 O ATOM 0 H GLY A 564 -4.292 -18.304 16.472 1.00 5.32 H new ATOM 0 HA2 GLY A 564 -2.344 -19.208 18.306 1.00 24.24 H new ATOM 0 HA3 GLY A 564 -2.118 -20.062 16.792 1.00 24.24 H new ATOM 346 N HIS A 565 -0.546 -18.062 16.430 1.00 14.31 N ATOM 347 CA HIS A 565 0.237 -16.973 15.872 1.00 4.23 C ATOM 348 C HIS A 565 0.995 -17.466 14.638 1.00 51.33 C ATOM 349 O HIS A 565 1.387 -18.630 14.569 1.00 11.40 O ATOM 350 CB HIS A 565 1.161 -16.369 16.933 1.00 74.24 C ATOM 351 CG HIS A 565 0.491 -15.348 17.821 1.00 52.25 C ATOM 352 ND1 HIS A 565 -0.454 -15.687 18.773 1.00 73.11 N ATOM 353 CD2 HIS A 565 0.640 -13.994 17.891 1.00 11.21 C ATOM 354 CE1 HIS A 565 -0.850 -14.579 19.383 1.00 71.45 C ATOM 355 NE2 HIS A 565 -0.171 -13.531 18.834 1.00 12.03 N ATOM 0 H HIS A 565 -0.015 -18.909 16.634 1.00 14.31 H new ATOM 0 HA HIS A 565 -0.427 -16.170 15.551 1.00 4.23 H new ATOM 0 HB2 HIS A 565 1.557 -17.172 17.555 1.00 74.24 H new ATOM 0 HB3 HIS A 565 2.011 -15.901 16.436 1.00 74.24 H new ATOM 0 HD2 HIS A 565 1.305 -13.399 17.282 1.00 11.21 H new ATOM 0 HE1 HIS A 565 -1.581 -14.517 20.175 1.00 71.45 H new ATOM 0 HE2 HIS A 565 -0.270 -12.552 19.104 1.00 12.03 H new ATOM 363 N GLY A 566 1.178 -16.555 13.693 1.00 63.10 N ATOM 364 CA GLY A 566 1.882 -16.882 12.464 1.00 32.55 C ATOM 365 C GLY A 566 3.389 -16.985 12.706 1.00 1.14 C ATOM 366 O GLY A 566 4.116 -17.547 11.889 1.00 71.32 O ATOM 0 H GLY A 566 0.851 -15.591 13.754 1.00 63.10 H new ATOM 0 HA2 GLY A 566 1.509 -17.826 12.067 1.00 32.55 H new ATOM 0 HA3 GLY A 566 1.682 -16.119 11.712 1.00 32.55 H new ATOM 370 N SER A 567 3.814 -16.433 13.833 1.00 1.42 N ATOM 371 CA SER A 567 5.222 -16.455 14.193 1.00 12.22 C ATOM 372 C SER A 567 5.477 -17.539 15.242 1.00 73.31 C ATOM 373 O SER A 567 6.564 -17.612 15.813 1.00 35.13 O ATOM 374 CB SER A 567 5.678 -15.092 14.718 1.00 54.35 C ATOM 375 OG SER A 567 7.098 -14.995 14.788 1.00 54.41 O ATOM 0 H SER A 567 3.208 -15.968 14.509 1.00 1.42 H new ATOM 0 HA SER A 567 5.800 -16.681 13.297 1.00 12.22 H new ATOM 0 HB2 SER A 567 5.292 -14.306 14.069 1.00 54.35 H new ATOM 0 HB3 SER A 567 5.254 -14.924 15.708 1.00 54.35 H new ATOM 0 HG SER A 567 7.468 -15.843 15.111 1.00 54.41 H new ATOM 381 N ASP A 568 4.456 -18.355 15.463 1.00 24.10 N ATOM 382 CA ASP A 568 4.556 -19.432 16.433 1.00 63.40 C ATOM 383 C ASP A 568 4.539 -20.776 15.700 1.00 10.45 C ATOM 384 O ASP A 568 4.931 -21.798 16.261 1.00 3.42 O ATOM 385 CB ASP A 568 3.375 -19.409 17.406 1.00 65.15 C ATOM 386 CG ASP A 568 3.444 -18.322 18.480 1.00 24.54 C ATOM 387 OD1 ASP A 568 4.413 -17.551 18.548 1.00 71.05 O ATOM 388 OD2 ASP A 568 2.435 -18.285 19.283 1.00 3.12 O ATOM 0 H ASP A 568 3.556 -18.292 14.987 1.00 24.10 H new ATOM 0 HA ASP A 568 5.484 -19.300 16.989 1.00 63.40 H new ATOM 0 HB2 ASP A 568 2.456 -19.277 16.835 1.00 65.15 H new ATOM 0 HB3 ASP A 568 3.309 -20.380 17.897 1.00 65.15 H new ATOM 394 N LEU A 569 4.080 -20.730 14.458 1.00 21.04 N ATOM 395 CA LEU A 569 4.006 -21.931 13.643 1.00 5.33 C ATOM 396 C LEU A 569 5.356 -22.162 12.961 1.00 22.31 C ATOM 397 O LEU A 569 6.179 -21.252 12.880 1.00 3.24 O ATOM 398 CB LEU A 569 2.831 -21.845 12.668 1.00 40.34 C ATOM 399 CG LEU A 569 2.770 -20.586 11.800 1.00 43.11 C ATOM 400 CD1 LEU A 569 4.172 -20.144 11.376 1.00 23.01 C ATOM 401 CD2 LEU A 569 1.847 -20.793 10.598 1.00 54.31 C ATOM 0 H LEU A 569 3.756 -19.880 13.996 1.00 21.04 H new ATOM 0 HA LEU A 569 3.809 -22.803 14.266 1.00 5.33 H new ATOM 0 HB2 LEU A 569 2.866 -22.714 12.011 1.00 40.34 H new ATOM 0 HB3 LEU A 569 1.905 -21.914 13.239 1.00 40.34 H new ATOM 0 HG LEU A 569 2.345 -19.780 12.398 1.00 43.11 H new ATOM 0 HD11 LEU A 569 4.100 -19.247 10.760 1.00 23.01 H new ATOM 0 HD12 LEU A 569 4.769 -19.929 12.262 1.00 23.01 H new ATOM 0 HD13 LEU A 569 4.647 -20.940 10.803 1.00 23.01 H new ATOM 0 HD21 LEU A 569 1.822 -19.883 9.998 1.00 54.31 H new ATOM 0 HD22 LEU A 569 2.220 -21.618 9.991 1.00 54.31 H new ATOM 0 HD23 LEU A 569 0.841 -21.025 10.947 1.00 54.31 H new ATOM 413 N ARG A 570 5.542 -23.386 12.487 1.00 14.35 N ATOM 414 CA ARG A 570 6.777 -23.749 11.815 1.00 44.52 C ATOM 415 C ARG A 570 6.542 -24.933 10.875 1.00 24.14 C ATOM 416 O ARG A 570 5.689 -25.779 11.139 1.00 42.02 O ATOM 417 CB ARG A 570 7.867 -24.115 12.824 1.00 32.55 C ATOM 418 CG ARG A 570 7.257 -24.695 14.103 1.00 41.14 C ATOM 419 CD ARG A 570 7.111 -23.616 15.178 1.00 74.50 C ATOM 420 NE ARG A 570 8.337 -23.556 16.004 1.00 12.05 N ATOM 421 CZ ARG A 570 8.681 -22.500 16.772 1.00 34.34 C ATOM 422 NH1 ARG A 570 7.892 -21.406 16.826 1.00 52.03 N ATOM 423 NH2 ARG A 570 9.800 -22.554 17.470 1.00 33.03 N ATOM 0 H ARG A 570 4.857 -24.139 12.556 1.00 14.35 H new ATOM 0 HA ARG A 570 7.107 -22.884 11.239 1.00 44.52 H new ATOM 0 HB2 ARG A 570 8.549 -24.840 12.381 1.00 32.55 H new ATOM 0 HB3 ARG A 570 8.456 -23.230 13.066 1.00 32.55 H new ATOM 0 HG2 ARG A 570 6.281 -25.127 13.881 1.00 41.14 H new ATOM 0 HG3 ARG A 570 7.886 -25.503 14.476 1.00 41.14 H new ATOM 0 HD2 ARG A 570 6.929 -22.648 14.711 1.00 74.50 H new ATOM 0 HD3 ARG A 570 6.248 -23.833 15.808 1.00 74.50 H new ATOM 0 HE ARG A 570 8.961 -24.363 15.993 1.00 12.05 H new ATOM 0 HH11 ARG A 570 7.029 -21.373 16.284 1.00 52.03 H new ATOM 0 HH12 ARG A 570 8.159 -20.613 17.409 1.00 52.03 H new ATOM 0 HH21 ARG A 570 10.390 -23.385 17.424 1.00 33.03 H new ATOM 0 HH22 ARG A 570 10.075 -21.765 18.055 1.00 33.03 H new ATOM 436 N LYS A 571 7.315 -24.956 9.799 1.00 55.10 N ATOM 437 CA LYS A 571 7.201 -26.023 8.819 1.00 1.21 C ATOM 438 C LYS A 571 7.818 -27.301 9.390 1.00 64.24 C ATOM 439 O LYS A 571 8.634 -27.244 10.308 1.00 25.32 O ATOM 440 CB LYS A 571 7.808 -25.590 7.483 1.00 1.10 C ATOM 441 CG LYS A 571 7.140 -26.318 6.315 1.00 35.33 C ATOM 442 CD LYS A 571 7.529 -25.685 4.978 1.00 3.44 C ATOM 443 CE LYS A 571 7.290 -24.174 4.997 1.00 13.44 C ATOM 444 NZ LYS A 571 7.171 -23.650 3.618 1.00 33.40 N ATOM 0 H LYS A 571 8.022 -24.253 9.584 1.00 55.10 H new ATOM 0 HA LYS A 571 6.153 -26.240 8.611 1.00 1.21 H new ATOM 0 HB2 LYS A 571 7.692 -24.513 7.359 1.00 1.10 H new ATOM 0 HB3 LYS A 571 8.878 -25.798 7.481 1.00 1.10 H new ATOM 0 HG2 LYS A 571 7.432 -27.368 6.322 1.00 35.33 H new ATOM 0 HG3 LYS A 571 6.057 -26.287 6.434 1.00 35.33 H new ATOM 0 HD2 LYS A 571 8.579 -25.888 4.767 1.00 3.44 H new ATOM 0 HD3 LYS A 571 6.949 -26.139 4.174 1.00 3.44 H new ATOM 0 HE2 LYS A 571 6.382 -23.951 5.557 1.00 13.44 H new ATOM 0 HE3 LYS A 571 8.112 -23.676 5.512 1.00 13.44 H new ATOM 0 HZ1 LYS A 571 6.975 -22.629 3.650 1.00 33.40 H new ATOM 0 HZ2 LYS A 571 8.061 -23.816 3.106 1.00 33.40 H new ATOM 0 HZ3 LYS A 571 6.393 -24.136 3.128 1.00 33.40 H new ATOM 457 N VAL A 572 7.405 -28.424 8.821 1.00 21.45 N ATOM 458 CA VAL A 572 7.907 -29.715 9.262 1.00 3.21 C ATOM 459 C VAL A 572 8.616 -30.407 8.096 1.00 50.42 C ATOM 460 O VAL A 572 7.969 -30.863 7.155 1.00 61.24 O ATOM 461 CB VAL A 572 6.766 -30.549 9.847 1.00 14.42 C ATOM 462 CG1 VAL A 572 7.014 -32.043 9.635 1.00 74.33 C ATOM 463 CG2 VAL A 572 6.560 -30.232 11.330 1.00 72.21 C ATOM 0 H VAL A 572 6.729 -28.467 8.059 1.00 21.45 H new ATOM 0 HA VAL A 572 8.640 -29.587 10.059 1.00 3.21 H new ATOM 0 HB VAL A 572 5.851 -30.283 9.317 1.00 14.42 H new ATOM 0 HG11 VAL A 572 6.188 -32.613 10.060 1.00 74.33 H new ATOM 0 HG12 VAL A 572 7.087 -32.252 8.568 1.00 74.33 H new ATOM 0 HG13 VAL A 572 7.944 -32.331 10.126 1.00 74.33 H new ATOM 0 HG21 VAL A 572 5.743 -30.838 11.722 1.00 72.21 H new ATOM 0 HG22 VAL A 572 7.474 -30.456 11.880 1.00 72.21 H new ATOM 0 HG23 VAL A 572 6.316 -29.176 11.446 1.00 72.21 H new ATOM 473 N GLU A 573 9.936 -30.462 8.196 1.00 31.34 N ATOM 474 CA GLU A 573 10.739 -31.091 7.162 1.00 44.34 C ATOM 475 C GLU A 573 10.246 -30.668 5.776 1.00 4.34 C ATOM 476 O GLU A 573 10.262 -31.463 4.839 1.00 75.35 O ATOM 477 CB GLU A 573 10.727 -32.614 7.307 1.00 55.34 C ATOM 478 CG GLU A 573 9.312 -33.169 7.132 1.00 34.22 C ATOM 479 CD GLU A 573 9.318 -34.699 7.144 1.00 71.21 C ATOM 480 OE1 GLU A 573 9.010 -35.328 6.121 1.00 63.34 O ATOM 481 OE2 GLU A 573 9.659 -35.234 8.267 1.00 31.31 O ATOM 0 H GLU A 573 10.469 -30.081 8.978 1.00 31.34 H new ATOM 0 HA GLU A 573 11.770 -30.757 7.277 1.00 44.34 H new ATOM 0 HB2 GLU A 573 11.391 -33.059 6.565 1.00 55.34 H new ATOM 0 HB3 GLU A 573 11.112 -32.893 8.288 1.00 55.34 H new ATOM 0 HG2 GLU A 573 8.671 -32.798 7.931 1.00 34.22 H new ATOM 0 HG3 GLU A 573 8.891 -32.811 6.193 1.00 34.22 H new ATOM 489 N GLY A 574 9.821 -29.416 5.692 1.00 52.23 N ATOM 490 CA GLY A 574 9.324 -28.878 4.437 1.00 41.52 C ATOM 491 C GLY A 574 8.334 -29.842 3.780 1.00 1.21 C ATOM 492 O GLY A 574 8.446 -30.138 2.591 1.00 1.25 O ATOM 0 H GLY A 574 9.811 -28.759 6.472 1.00 52.23 H new ATOM 0 HA2 GLY A 574 8.839 -27.919 4.616 1.00 41.52 H new ATOM 0 HA3 GLY A 574 10.159 -28.692 3.761 1.00 41.52 H new ATOM 496 N THR A 575 7.387 -30.305 4.583 1.00 64.01 N ATOM 497 CA THR A 575 6.378 -31.230 4.095 1.00 45.34 C ATOM 498 C THR A 575 4.989 -30.593 4.173 1.00 64.33 C ATOM 499 O THR A 575 4.204 -30.690 3.231 1.00 63.42 O ATOM 500 CB THR A 575 6.498 -32.527 4.897 1.00 65.04 C ATOM 501 OG1 THR A 575 7.590 -33.211 4.288 1.00 24.45 O ATOM 502 CG2 THR A 575 5.306 -33.461 4.681 1.00 63.44 C ATOM 0 H THR A 575 7.297 -30.057 5.568 1.00 64.01 H new ATOM 0 HA THR A 575 6.534 -31.467 3.043 1.00 45.34 H new ATOM 0 HB THR A 575 6.587 -32.292 5.958 1.00 65.04 H new ATOM 0 HG1 THR A 575 7.629 -34.130 4.626 1.00 24.45 H new ATOM 0 HG21 THR A 575 5.441 -34.366 5.273 1.00 63.44 H new ATOM 0 HG22 THR A 575 4.389 -32.959 4.990 1.00 63.44 H new ATOM 0 HG23 THR A 575 5.237 -33.724 3.626 1.00 63.44 H new ATOM 510 N HIS A 576 4.728 -29.956 5.305 1.00 64.14 N ATOM 511 CA HIS A 576 3.448 -29.304 5.518 1.00 13.30 C ATOM 512 C HIS A 576 3.555 -28.337 6.699 1.00 52.54 C ATOM 513 O HIS A 576 4.205 -28.640 7.697 1.00 4.05 O ATOM 514 CB HIS A 576 2.335 -30.338 5.698 1.00 54.11 C ATOM 515 CG HIS A 576 1.669 -30.754 4.408 1.00 54.10 C ATOM 516 ND1 HIS A 576 1.721 -32.048 3.921 1.00 70.23 N ATOM 517 CD2 HIS A 576 0.935 -30.034 3.511 1.00 33.34 C ATOM 518 CE1 HIS A 576 1.047 -32.094 2.781 1.00 15.32 C ATOM 519 NE2 HIS A 576 0.560 -30.844 2.529 1.00 24.50 N ATOM 0 H HIS A 576 5.382 -29.878 6.084 1.00 64.14 H new ATOM 0 HA HIS A 576 3.183 -28.719 4.637 1.00 13.30 H new ATOM 0 HB2 HIS A 576 2.749 -31.222 6.183 1.00 54.11 H new ATOM 0 HB3 HIS A 576 1.580 -29.931 6.370 1.00 54.11 H new ATOM 0 HD2 HIS A 576 0.699 -28.983 3.587 1.00 33.34 H new ATOM 0 HE1 HIS A 576 0.908 -32.967 2.160 1.00 15.32 H new ATOM 0 HE2 HIS A 576 0.000 -30.577 1.719 1.00 24.50 H new ATOM 527 N HIS A 577 2.906 -27.191 6.545 1.00 64.43 N ATOM 528 CA HIS A 577 2.920 -26.178 7.586 1.00 45.44 C ATOM 529 C HIS A 577 2.179 -26.698 8.819 1.00 51.23 C ATOM 530 O HIS A 577 1.055 -27.186 8.712 1.00 51.13 O ATOM 531 CB HIS A 577 2.351 -24.856 7.065 1.00 62.52 C ATOM 532 CG HIS A 577 3.001 -24.367 5.792 1.00 35.22 C ATOM 533 ND1 HIS A 577 3.961 -23.371 5.776 1.00 53.33 N ATOM 534 CD2 HIS A 577 2.818 -24.748 4.495 1.00 3.02 C ATOM 535 CE1 HIS A 577 4.332 -23.168 4.520 1.00 31.21 C ATOM 536 NE2 HIS A 577 3.622 -24.022 3.728 1.00 63.40 N ATOM 0 H HIS A 577 2.368 -26.943 5.715 1.00 64.43 H new ATOM 0 HA HIS A 577 3.948 -25.972 7.884 1.00 45.44 H new ATOM 0 HB2 HIS A 577 1.281 -24.976 6.892 1.00 62.52 H new ATOM 0 HB3 HIS A 577 2.466 -24.094 7.836 1.00 62.52 H new ATOM 0 HD2 HIS A 577 2.135 -25.511 4.151 1.00 3.02 H new ATOM 0 HE1 HIS A 577 5.067 -22.452 4.183 1.00 31.21 H new ATOM 0 HE2 HIS A 577 3.697 -24.091 2.713 1.00 63.40 H new ATOM 544 N VAL A 578 2.838 -26.576 9.961 1.00 3.43 N ATOM 545 CA VAL A 578 2.256 -27.027 11.214 1.00 71.35 C ATOM 546 C VAL A 578 2.473 -25.959 12.287 1.00 53.53 C ATOM 547 O VAL A 578 3.603 -25.542 12.533 1.00 5.04 O ATOM 548 CB VAL A 578 2.837 -28.389 11.600 1.00 51.11 C ATOM 549 CG1 VAL A 578 2.800 -29.357 10.416 1.00 53.24 C ATOM 550 CG2 VAL A 578 4.259 -28.243 12.145 1.00 61.42 C ATOM 0 H VAL A 578 3.770 -26.171 10.046 1.00 3.43 H new ATOM 0 HA VAL A 578 1.180 -27.165 11.107 1.00 71.35 H new ATOM 0 HB VAL A 578 2.215 -28.806 12.392 1.00 51.11 H new ATOM 0 HG11 VAL A 578 3.219 -30.317 10.718 1.00 53.24 H new ATOM 0 HG12 VAL A 578 1.769 -29.497 10.092 1.00 53.24 H new ATOM 0 HG13 VAL A 578 3.386 -28.948 9.593 1.00 53.24 H new ATOM 0 HG21 VAL A 578 4.649 -29.225 12.412 1.00 61.42 H new ATOM 0 HG22 VAL A 578 4.896 -27.794 11.383 1.00 61.42 H new ATOM 0 HG23 VAL A 578 4.246 -27.605 13.029 1.00 61.42 H new ATOM 560 N ASN A 579 1.371 -25.545 12.896 1.00 62.21 N ATOM 561 CA ASN A 579 1.427 -24.533 13.937 1.00 54.01 C ATOM 562 C ASN A 579 1.503 -25.217 15.304 1.00 52.35 C ATOM 563 O ASN A 579 0.593 -25.951 15.686 1.00 40.12 O ATOM 564 CB ASN A 579 0.175 -23.654 13.917 1.00 12.33 C ATOM 565 CG ASN A 579 0.062 -22.831 15.203 1.00 61.34 C ATOM 566 OD1 ASN A 579 1.230 -22.407 15.677 1.00 43.24 O flip ATOM 567 ND2 ASN A 579 -1.014 -22.598 15.729 1.00 13.41 N flip ATOM 0 H ASN A 579 0.435 -25.892 12.688 1.00 62.21 H new ATOM 0 HA ASN A 579 2.306 -23.914 13.759 1.00 54.01 H new ATOM 0 HB2 ASN A 579 0.208 -22.987 13.056 1.00 12.33 H new ATOM 0 HB3 ASN A 579 -0.711 -24.279 13.802 1.00 12.33 H new ATOM 0 HD21 ASN A 579 -1.874 -22.955 15.311 1.00 13.41 H new ATOM 0 HD22 ASN A 579 -1.054 -22.047 16.586 1.00 13.41 H new ATOM 574 N VAL A 580 2.597 -24.951 16.002 1.00 34.03 N ATOM 575 CA VAL A 580 2.803 -25.532 17.318 1.00 5.52 C ATOM 576 C VAL A 580 2.243 -24.586 18.382 1.00 54.40 C ATOM 577 O VAL A 580 2.420 -23.372 18.294 1.00 3.32 O ATOM 578 CB VAL A 580 4.286 -25.850 17.523 1.00 41.52 C ATOM 579 CG1 VAL A 580 4.484 -26.809 18.698 1.00 71.01 C ATOM 580 CG2 VAL A 580 4.907 -26.414 16.243 1.00 3.35 C ATOM 0 H VAL A 580 3.350 -24.342 15.682 1.00 34.03 H new ATOM 0 HA VAL A 580 2.266 -26.476 17.407 1.00 5.52 H new ATOM 0 HB VAL A 580 4.799 -24.918 17.762 1.00 41.52 H new ATOM 0 HG11 VAL A 580 5.547 -27.018 18.822 1.00 71.01 H new ATOM 0 HG12 VAL A 580 4.095 -26.354 19.609 1.00 71.01 H new ATOM 0 HG13 VAL A 580 3.951 -27.740 18.502 1.00 71.01 H new ATOM 0 HG21 VAL A 580 5.961 -26.632 16.415 1.00 3.35 H new ATOM 0 HG22 VAL A 580 4.389 -27.330 15.960 1.00 3.35 H new ATOM 0 HG23 VAL A 580 4.814 -25.682 15.440 1.00 3.35 H new ATOM 590 N ASN A 581 1.577 -25.178 19.363 1.00 52.44 N ATOM 591 CA ASN A 581 0.989 -24.403 20.442 1.00 12.12 C ATOM 592 C ASN A 581 0.146 -25.325 21.326 1.00 63.13 C ATOM 593 O ASN A 581 -0.675 -26.091 20.824 1.00 23.52 O ATOM 594 CB ASN A 581 0.074 -23.305 19.897 1.00 54.10 C ATOM 595 CG ASN A 581 -0.667 -22.594 21.032 1.00 63.40 C ATOM 596 OD1 ASN A 581 -1.854 -22.779 21.245 1.00 42.22 O ATOM 597 ND2 ASN A 581 0.098 -21.774 21.746 1.00 2.15 N ATOM 0 H ASN A 581 1.432 -26.185 19.433 1.00 52.44 H new ATOM 0 HA ASN A 581 1.800 -23.947 21.010 1.00 12.12 H new ATOM 0 HB2 ASN A 581 0.664 -22.582 19.334 1.00 54.10 H new ATOM 0 HB3 ASN A 581 -0.646 -23.738 19.203 1.00 54.10 H new ATOM 0 HD21 ASN A 581 -0.302 -21.253 22.526 1.00 2.15 H new ATOM 0 HD22 ASN A 581 1.085 -21.666 21.513 1.00 2.15 H new ATOM 604 N PRO A 582 0.385 -25.218 22.660 1.00 11.03 N ATOM 605 CA PRO A 582 -0.342 -26.033 23.618 1.00 33.04 C ATOM 606 C PRO A 582 -1.773 -25.522 23.798 1.00 34.51 C ATOM 607 O PRO A 582 -2.668 -26.286 24.158 1.00 72.13 O ATOM 608 CB PRO A 582 0.478 -25.964 24.896 1.00 32.03 C ATOM 609 CG PRO A 582 1.378 -24.748 24.749 1.00 54.31 C ATOM 610 CD PRO A 582 1.350 -24.321 23.290 1.00 33.33 C ATOM 0 HA PRO A 582 -0.457 -27.066 23.290 1.00 33.04 H new ATOM 0 HB2 PRO A 582 -0.167 -25.869 25.769 1.00 32.03 H new ATOM 0 HB3 PRO A 582 1.067 -26.871 25.032 1.00 32.03 H new ATOM 0 HG2 PRO A 582 1.032 -23.937 25.391 1.00 54.31 H new ATOM 0 HG3 PRO A 582 2.396 -24.987 25.057 1.00 54.31 H new ATOM 0 HD2 PRO A 582 1.047 -23.279 23.188 1.00 33.33 H new ATOM 0 HD3 PRO A 582 2.335 -24.413 22.831 1.00 33.33 H new ATOM 618 N ASN A 583 -1.945 -24.234 23.539 1.00 30.54 N ATOM 619 CA ASN A 583 -3.252 -23.613 23.668 1.00 51.02 C ATOM 620 C ASN A 583 -4.085 -23.925 22.423 1.00 32.41 C ATOM 621 O ASN A 583 -5.238 -23.507 22.322 1.00 65.30 O ATOM 622 CB ASN A 583 -3.130 -22.092 23.785 1.00 21.54 C ATOM 623 CG ASN A 583 -1.802 -21.698 24.435 1.00 40.21 C ATOM 624 OD1 ASN A 583 -1.371 -20.487 24.092 1.00 52.10 O flip ATOM 625 ND2 ASN A 583 -1.208 -22.443 25.197 1.00 62.31 N flip ATOM 0 H ASN A 583 -1.201 -23.604 23.240 1.00 30.54 H new ATOM 0 HA ASN A 583 -3.725 -24.008 24.567 1.00 51.02 H new ATOM 0 HB2 ASN A 583 -3.203 -21.640 22.796 1.00 21.54 H new ATOM 0 HB3 ASN A 583 -3.958 -21.701 24.376 1.00 21.54 H new ATOM 0 HD21 ASN A 583 -1.595 -23.360 25.418 1.00 62.31 H new ATOM 0 HD22 ASN A 583 -0.324 -22.148 25.613 1.00 62.31 H new ATOM 632 N PHE A 584 -3.470 -24.658 21.507 1.00 45.13 N ATOM 633 CA PHE A 584 -4.140 -25.031 20.273 1.00 62.32 C ATOM 634 C PHE A 584 -5.111 -26.190 20.505 1.00 32.34 C ATOM 635 O PHE A 584 -6.113 -26.316 19.803 1.00 51.30 O ATOM 636 CB PHE A 584 -3.054 -25.480 19.292 1.00 35.13 C ATOM 637 CG PHE A 584 -3.356 -25.139 17.832 1.00 41.05 C ATOM 638 CD1 PHE A 584 -3.506 -23.841 17.453 1.00 31.33 C ATOM 639 CD2 PHE A 584 -3.474 -26.134 16.911 1.00 5.53 C ATOM 640 CE1 PHE A 584 -3.786 -23.525 16.098 1.00 43.25 C ATOM 641 CE2 PHE A 584 -3.753 -25.817 15.556 1.00 52.03 C ATOM 642 CZ PHE A 584 -3.903 -24.519 15.177 1.00 33.34 C ATOM 0 H PHE A 584 -2.514 -25.004 21.595 1.00 45.13 H new ATOM 0 HA PHE A 584 -4.711 -24.185 19.889 1.00 62.32 H new ATOM 0 HB2 PHE A 584 -2.109 -25.016 19.575 1.00 35.13 H new ATOM 0 HB3 PHE A 584 -2.920 -26.558 19.383 1.00 35.13 H new ATOM 0 HD1 PHE A 584 -3.412 -23.051 18.183 1.00 31.33 H new ATOM 0 HD2 PHE A 584 -3.355 -27.165 17.211 1.00 5.53 H new ATOM 0 HE1 PHE A 584 -3.906 -22.495 15.798 1.00 43.25 H new ATOM 0 HE2 PHE A 584 -3.846 -26.607 14.825 1.00 52.03 H new ATOM 0 HZ PHE A 584 -4.115 -24.278 14.146 1.00 33.34 H new ATOM 652 N SER A 585 -4.781 -27.008 21.494 1.00 64.10 N ATOM 653 CA SER A 585 -5.611 -28.153 21.828 1.00 13.40 C ATOM 654 C SER A 585 -7.014 -27.684 22.221 1.00 22.23 C ATOM 655 O SER A 585 -7.986 -28.420 22.059 1.00 11.12 O ATOM 656 CB SER A 585 -4.989 -28.973 22.959 1.00 30.24 C ATOM 657 OG SER A 585 -5.297 -28.434 24.242 1.00 51.20 O ATOM 0 H SER A 585 -3.950 -26.900 22.075 1.00 64.10 H new ATOM 0 HA SER A 585 -5.681 -28.793 20.949 1.00 13.40 H new ATOM 0 HB2 SER A 585 -5.348 -30.000 22.902 1.00 30.24 H new ATOM 0 HB3 SER A 585 -3.907 -29.006 22.830 1.00 30.24 H new ATOM 0 HG SER A 585 -4.883 -28.987 24.937 1.00 51.20 H new ATOM 663 N ASN A 586 -7.074 -26.463 22.731 1.00 43.42 N ATOM 664 CA ASN A 586 -8.341 -25.887 23.149 1.00 60.45 C ATOM 665 C ASN A 586 -9.004 -25.202 21.952 1.00 11.01 C ATOM 666 O ASN A 586 -10.175 -24.831 22.015 1.00 32.22 O ATOM 667 CB ASN A 586 -8.135 -24.836 24.241 1.00 32.31 C ATOM 668 CG ASN A 586 -8.143 -25.480 25.629 1.00 4.32 C ATOM 669 OD1 ASN A 586 -9.108 -26.093 26.052 1.00 34.43 O ATOM 670 ND2 ASN A 586 -7.015 -25.306 26.312 1.00 3.31 N ATOM 0 H ASN A 586 -6.265 -25.856 22.864 1.00 43.42 H new ATOM 0 HA ASN A 586 -8.966 -26.692 23.537 1.00 60.45 H new ATOM 0 HB2 ASN A 586 -7.188 -24.320 24.081 1.00 32.31 H new ATOM 0 HB3 ASN A 586 -8.922 -24.084 24.180 1.00 32.31 H new ATOM 0 HD21 ASN A 586 -6.921 -25.697 27.249 1.00 3.31 H new ATOM 0 HD22 ASN A 586 -6.244 -24.781 25.898 1.00 3.31 H new ATOM 677 N TYR A 587 -8.226 -25.054 20.890 1.00 74.44 N ATOM 678 CA TYR A 587 -8.724 -24.420 19.681 1.00 64.14 C ATOM 679 C TYR A 587 -9.159 -25.466 18.652 1.00 14.12 C ATOM 680 O TYR A 587 -9.523 -25.123 17.528 1.00 4.33 O ATOM 681 CB TYR A 587 -7.550 -23.620 19.111 1.00 73.20 C ATOM 682 CG TYR A 587 -7.475 -22.179 19.619 1.00 24.24 C ATOM 683 CD1 TYR A 587 -8.610 -21.394 19.640 1.00 24.23 C ATOM 684 CD2 TYR A 587 -6.271 -21.664 20.057 1.00 33.32 C ATOM 685 CE1 TYR A 587 -8.538 -20.038 20.119 1.00 53.11 C ATOM 686 CE2 TYR A 587 -6.200 -20.308 20.536 1.00 70.02 C ATOM 687 CZ TYR A 587 -7.337 -19.562 20.543 1.00 10.20 C ATOM 688 OH TYR A 587 -7.270 -18.281 20.995 1.00 43.10 O ATOM 0 H TYR A 587 -7.255 -25.362 20.841 1.00 74.44 H new ATOM 0 HA TYR A 587 -9.588 -23.795 19.904 1.00 64.14 H new ATOM 0 HB2 TYR A 587 -6.620 -24.131 19.360 1.00 73.20 H new ATOM 0 HB3 TYR A 587 -7.626 -23.608 18.024 1.00 73.20 H new ATOM 0 HD1 TYR A 587 -9.552 -21.797 19.297 1.00 24.23 H new ATOM 0 HD2 TYR A 587 -5.383 -22.278 20.040 1.00 33.32 H new ATOM 0 HE1 TYR A 587 -9.418 -19.413 20.141 1.00 53.11 H new ATOM 0 HE2 TYR A 587 -5.265 -19.893 20.882 1.00 70.02 H new ATOM 0 HH TYR A 587 -7.284 -17.664 20.234 1.00 43.10 H new ATOM 698 N TYR A 588 -9.109 -26.721 19.074 1.00 42.11 N ATOM 699 CA TYR A 588 -9.494 -27.819 18.204 1.00 41.14 C ATOM 700 C TYR A 588 -9.632 -29.122 18.993 1.00 23.14 C ATOM 701 O TYR A 588 -9.074 -29.255 20.081 1.00 3.35 O ATOM 702 CB TYR A 588 -8.360 -27.970 17.188 1.00 43.41 C ATOM 703 CG TYR A 588 -7.175 -28.794 17.696 1.00 73.34 C ATOM 704 CD1 TYR A 588 -7.319 -30.150 17.908 1.00 31.31 C ATOM 705 CD2 TYR A 588 -5.963 -28.182 17.941 1.00 22.11 C ATOM 706 CE1 TYR A 588 -6.204 -30.926 18.386 1.00 73.51 C ATOM 707 CE2 TYR A 588 -4.848 -28.958 18.419 1.00 70.31 C ATOM 708 CZ TYR A 588 -5.024 -30.292 18.618 1.00 62.22 C ATOM 709 OH TYR A 588 -3.971 -31.025 19.069 1.00 21.31 O ATOM 0 H TYR A 588 -8.808 -27.002 20.007 1.00 42.11 H new ATOM 0 HA TYR A 588 -10.455 -27.615 17.731 1.00 41.14 H new ATOM 0 HB2 TYR A 588 -8.754 -28.438 16.286 1.00 43.41 H new ATOM 0 HB3 TYR A 588 -8.005 -26.979 16.905 1.00 43.41 H new ATOM 0 HD1 TYR A 588 -8.268 -30.629 17.715 1.00 31.31 H new ATOM 0 HD2 TYR A 588 -5.850 -27.121 17.774 1.00 22.11 H new ATOM 0 HE1 TYR A 588 -6.303 -31.988 18.556 1.00 73.51 H new ATOM 0 HE2 TYR A 588 -3.894 -28.491 18.615 1.00 70.31 H new ATOM 0 HH TYR A 588 -3.193 -30.441 19.189 1.00 21.31 H new ATOM 719 N ASN A 589 -10.378 -30.051 18.415 1.00 71.34 N ATOM 720 CA ASN A 589 -10.596 -31.339 19.051 1.00 74.33 C ATOM 721 C ASN A 589 -10.438 -32.450 18.011 1.00 73.24 C ATOM 722 O ASN A 589 -11.143 -32.466 17.002 1.00 24.23 O ATOM 723 CB ASN A 589 -12.008 -31.434 19.633 1.00 71.03 C ATOM 724 CG ASN A 589 -13.011 -30.671 18.765 1.00 72.31 C ATOM 725 OD1 ASN A 589 -12.859 -29.350 18.796 1.00 70.13 O flip ATOM 726 ND2 ASN A 589 -13.867 -31.244 18.111 1.00 63.52 N flip ATOM 0 H ASN A 589 -10.840 -29.938 17.512 1.00 71.34 H new ATOM 0 HA ASN A 589 -9.867 -31.446 19.854 1.00 74.33 H new ATOM 0 HB2 ASN A 589 -12.306 -32.480 19.705 1.00 71.03 H new ATOM 0 HB3 ASN A 589 -12.016 -31.030 20.645 1.00 71.03 H new ATOM 0 HD21 ASN A 589 -13.929 -32.262 18.132 1.00 63.52 H new ATOM 0 HD22 ASN A 589 -14.521 -30.705 17.543 1.00 63.52 H new ATOM 733 N VAL A 590 -9.509 -33.352 18.292 1.00 74.24 N ATOM 734 CA VAL A 590 -9.250 -34.464 17.393 1.00 62.11 C ATOM 735 C VAL A 590 -10.406 -35.463 17.477 1.00 51.43 C ATOM 736 O VAL A 590 -11.040 -35.597 18.522 1.00 31.22 O ATOM 737 CB VAL A 590 -7.893 -35.092 17.716 1.00 23.41 C ATOM 738 CG1 VAL A 590 -7.687 -36.388 16.929 1.00 31.21 C ATOM 739 CG2 VAL A 590 -6.755 -34.104 17.453 1.00 65.41 C ATOM 0 H VAL A 590 -8.927 -33.336 19.129 1.00 74.24 H new ATOM 0 HA VAL A 590 -9.196 -34.116 16.361 1.00 62.11 H new ATOM 0 HB VAL A 590 -7.883 -35.340 18.777 1.00 23.41 H new ATOM 0 HG11 VAL A 590 -6.715 -36.814 17.177 1.00 31.21 H new ATOM 0 HG12 VAL A 590 -8.471 -37.099 17.188 1.00 31.21 H new ATOM 0 HG13 VAL A 590 -7.728 -36.175 15.861 1.00 31.21 H new ATOM 0 HG21 VAL A 590 -5.801 -34.576 17.691 1.00 65.41 H new ATOM 0 HG22 VAL A 590 -6.763 -33.811 16.403 1.00 65.41 H new ATOM 0 HG23 VAL A 590 -6.888 -33.221 18.077 1.00 65.41 H new ATOM 749 N SER A 591 -10.645 -36.137 16.362 1.00 74.12 N ATOM 750 CA SER A 591 -11.714 -37.119 16.296 1.00 32.20 C ATOM 751 C SER A 591 -11.605 -38.091 17.473 1.00 13.41 C ATOM 752 O SER A 591 -10.512 -38.543 17.810 1.00 33.03 O ATOM 753 CB SER A 591 -11.678 -37.884 14.972 1.00 75.25 C ATOM 754 OG SER A 591 -12.936 -38.481 14.666 1.00 62.13 O ATOM 0 H SER A 591 -10.117 -36.023 15.497 1.00 74.12 H new ATOM 0 HA SER A 591 -12.666 -36.592 16.355 1.00 32.20 H new ATOM 0 HB2 SER A 591 -11.394 -37.205 14.168 1.00 75.25 H new ATOM 0 HB3 SER A 591 -10.912 -38.658 15.021 1.00 75.25 H new ATOM 0 HG SER A 591 -12.873 -38.959 13.813 1.00 62.13 H new ATOM 966 N TRP A 604 6.719 -39.085 9.745 1.00 23.43 N ATOM 967 CA TRP A 604 6.098 -38.873 11.042 1.00 64.42 C ATOM 968 C TRP A 604 4.857 -39.764 11.123 1.00 22.20 C ATOM 969 O TRP A 604 4.383 -40.268 10.106 1.00 33.02 O ATOM 970 CB TRP A 604 5.787 -37.392 11.265 1.00 71.22 C ATOM 971 CG TRP A 604 4.837 -36.793 10.226 1.00 15.02 C ATOM 972 CD1 TRP A 604 4.290 -37.397 9.162 1.00 32.24 C ATOM 973 CD2 TRP A 604 4.340 -35.438 10.196 1.00 70.24 C ATOM 974 NE1 TRP A 604 3.481 -36.535 8.451 1.00 14.32 N ATOM 975 CE2 TRP A 604 3.512 -35.306 9.100 1.00 40.43 C ATOM 976 CE3 TRP A 604 4.582 -34.361 11.065 1.00 3.55 C ATOM 977 CZ2 TRP A 604 2.860 -34.111 8.772 1.00 74.02 C ATOM 978 CZ3 TRP A 604 3.923 -33.174 10.724 1.00 51.41 C ATOM 979 CH2 TRP A 604 3.086 -33.024 9.624 1.00 3.21 C ATOM 0 HA TRP A 604 6.779 -39.151 11.846 1.00 64.42 H new ATOM 0 HB2 TRP A 604 5.350 -37.268 12.256 1.00 71.22 H new ATOM 0 HB3 TRP A 604 6.721 -36.830 11.256 1.00 71.22 H new ATOM 0 HD1 TRP A 604 4.461 -38.429 8.895 1.00 32.24 H new ATOM 0 HE1 TRP A 604 2.957 -36.758 7.605 1.00 14.32 H new ATOM 0 HE3 TRP A 604 5.226 -34.442 11.928 1.00 3.55 H new ATOM 0 HZ2 TRP A 604 2.217 -34.032 7.908 1.00 74.02 H new ATOM 0 HZ3 TRP A 604 4.075 -32.314 11.360 1.00 51.41 H new ATOM 0 HH2 TRP A 604 2.613 -32.073 9.428 1.00 3.21 H new ATOM 990 N LYS A 605 4.367 -39.931 12.342 1.00 33.24 N ATOM 991 CA LYS A 605 3.190 -40.752 12.570 1.00 73.53 C ATOM 992 C LYS A 605 1.941 -39.870 12.522 1.00 33.24 C ATOM 993 O LYS A 605 2.036 -38.648 12.622 1.00 55.13 O ATOM 994 CB LYS A 605 3.333 -41.546 13.870 1.00 62.22 C ATOM 995 CG LYS A 605 2.819 -40.740 15.064 1.00 14.00 C ATOM 996 CD LYS A 605 3.137 -41.449 16.382 1.00 15.11 C ATOM 997 CE LYS A 605 4.507 -41.027 16.915 1.00 64.03 C ATOM 998 NZ LYS A 605 4.675 -41.465 18.318 1.00 22.14 N ATOM 0 H LYS A 605 4.764 -39.512 13.183 1.00 33.24 H new ATOM 0 HA LYS A 605 3.086 -41.496 11.780 1.00 73.53 H new ATOM 0 HB2 LYS A 605 2.778 -42.481 13.792 1.00 62.22 H new ATOM 0 HB3 LYS A 605 4.379 -41.808 14.027 1.00 62.22 H new ATOM 0 HG2 LYS A 605 3.273 -39.749 15.061 1.00 14.00 H new ATOM 0 HG3 LYS A 605 1.742 -40.597 14.974 1.00 14.00 H new ATOM 0 HD2 LYS A 605 2.369 -41.216 17.119 1.00 15.11 H new ATOM 0 HD3 LYS A 605 3.118 -42.528 16.232 1.00 15.11 H new ATOM 0 HE2 LYS A 605 5.293 -41.459 16.296 1.00 64.03 H new ATOM 0 HE3 LYS A 605 4.611 -39.944 16.851 1.00 64.03 H new ATOM 0 HZ1 LYS A 605 5.610 -41.170 18.664 1.00 22.14 H new ATOM 0 HZ2 LYS A 605 3.936 -41.032 18.908 1.00 22.14 H new ATOM 0 HZ3 LYS A 605 4.597 -42.501 18.370 1.00 22.14 H new ATOM 1011 N PRO A 606 0.768 -40.542 12.367 1.00 43.42 N ATOM 1012 CA PRO A 606 -0.498 -39.832 12.305 1.00 11.02 C ATOM 1013 C PRO A 606 -0.922 -39.344 13.692 1.00 25.32 C ATOM 1014 O PRO A 606 -0.433 -39.843 14.705 1.00 12.32 O ATOM 1015 CB PRO A 606 -1.477 -40.825 11.700 1.00 22.44 C ATOM 1016 CG PRO A 606 -0.842 -42.195 11.876 1.00 30.42 C ATOM 1017 CD PRO A 606 0.618 -41.989 12.246 1.00 53.22 C ATOM 0 HA PRO A 606 -0.443 -38.927 11.699 1.00 11.02 H new ATOM 0 HB2 PRO A 606 -2.444 -40.775 12.201 1.00 22.44 H new ATOM 0 HB3 PRO A 606 -1.652 -40.608 10.646 1.00 22.44 H new ATOM 0 HG2 PRO A 606 -1.357 -42.757 12.655 1.00 30.42 H new ATOM 0 HG3 PRO A 606 -0.925 -42.775 10.957 1.00 30.42 H new ATOM 0 HD2 PRO A 606 0.865 -42.492 13.181 1.00 53.22 H new ATOM 0 HD3 PRO A 606 1.281 -42.394 11.482 1.00 53.22 H new ATOM 1025 N GLY A 607 -1.826 -38.376 13.693 1.00 4.24 N ATOM 1026 CA GLY A 607 -2.320 -37.815 14.939 1.00 34.33 C ATOM 1027 C GLY A 607 -3.844 -37.926 15.024 1.00 71.25 C ATOM 1028 O GLY A 607 -4.375 -38.553 15.939 1.00 2.12 O ATOM 0 H GLY A 607 -2.229 -37.966 12.851 1.00 4.24 H new ATOM 0 HA2 GLY A 607 -1.866 -38.336 15.782 1.00 34.33 H new ATOM 0 HA3 GLY A 607 -2.023 -36.769 15.014 1.00 34.33 H new ATOM 1032 N GLY A 608 -4.505 -37.308 14.056 1.00 42.22 N ATOM 1033 CA GLY A 608 -5.957 -37.329 14.009 1.00 61.20 C ATOM 1034 C GLY A 608 -6.505 -36.039 13.395 1.00 63.45 C ATOM 1035 O GLY A 608 -5.907 -34.975 13.542 1.00 12.54 O ATOM 0 H GLY A 608 -4.061 -36.789 13.298 1.00 42.22 H new ATOM 0 HA2 GLY A 608 -6.293 -38.185 13.424 1.00 61.20 H new ATOM 0 HA3 GLY A 608 -6.355 -37.454 15.016 1.00 61.20 H new ATOM 1039 N VAL A 609 -7.636 -36.178 12.718 1.00 5.31 N ATOM 1040 CA VAL A 609 -8.271 -35.037 12.081 1.00 44.24 C ATOM 1041 C VAL A 609 -8.531 -33.952 13.128 1.00 64.30 C ATOM 1042 O VAL A 609 -9.071 -34.233 14.197 1.00 71.34 O ATOM 1043 CB VAL A 609 -9.541 -35.483 11.354 1.00 30.42 C ATOM 1044 CG1 VAL A 609 -10.069 -34.375 10.442 1.00 54.30 C ATOM 1045 CG2 VAL A 609 -9.298 -36.772 10.567 1.00 61.44 C ATOM 0 H VAL A 609 -8.128 -37.063 12.597 1.00 5.31 H new ATOM 0 HA VAL A 609 -7.614 -34.608 11.325 1.00 44.24 H new ATOM 0 HB VAL A 609 -10.303 -35.688 12.106 1.00 30.42 H new ATOM 0 HG11 VAL A 609 -10.972 -34.719 9.937 1.00 54.30 H new ATOM 0 HG12 VAL A 609 -10.300 -33.492 11.038 1.00 54.30 H new ATOM 0 HG13 VAL A 609 -9.312 -34.123 9.699 1.00 54.30 H new ATOM 0 HG21 VAL A 609 -10.216 -37.067 10.060 1.00 61.44 H new ATOM 0 HG22 VAL A 609 -8.513 -36.605 9.829 1.00 61.44 H new ATOM 0 HG23 VAL A 609 -8.991 -37.563 11.251 1.00 61.44 H new ATOM 1055 N ILE A 610 -8.134 -32.736 12.785 1.00 43.22 N ATOM 1056 CA ILE A 610 -8.317 -31.608 13.682 1.00 11.31 C ATOM 1057 C ILE A 610 -9.493 -30.759 13.194 1.00 32.42 C ATOM 1058 O ILE A 610 -9.699 -30.612 11.991 1.00 54.53 O ATOM 1059 CB ILE A 610 -7.012 -30.823 13.830 1.00 51.23 C ATOM 1060 CG1 ILE A 610 -5.799 -31.739 13.659 1.00 22.20 C ATOM 1061 CG2 ILE A 610 -6.975 -30.065 15.158 1.00 15.32 C ATOM 1062 CD1 ILE A 610 -4.533 -31.081 14.211 1.00 23.23 C ATOM 0 H ILE A 610 -7.686 -32.507 11.898 1.00 43.22 H new ATOM 0 HA ILE A 610 -8.568 -31.956 14.684 1.00 11.31 H new ATOM 0 HB ILE A 610 -6.969 -30.079 13.034 1.00 51.23 H new ATOM 0 HG12 ILE A 610 -5.976 -32.683 14.174 1.00 22.20 H new ATOM 0 HG13 ILE A 610 -5.661 -31.973 12.603 1.00 22.20 H new ATOM 0 HG21 ILE A 610 -6.037 -29.516 15.237 1.00 15.32 H new ATOM 0 HG22 ILE A 610 -7.810 -29.366 15.201 1.00 15.32 H new ATOM 0 HG23 ILE A 610 -7.052 -30.773 15.983 1.00 15.32 H new ATOM 0 HD11 ILE A 610 -3.686 -31.753 14.077 1.00 23.23 H new ATOM 0 HD12 ILE A 610 -4.345 -30.149 13.678 1.00 23.23 H new ATOM 0 HD13 ILE A 610 -4.665 -30.871 15.272 1.00 23.23 H new ATOM 1074 N SER A 611 -10.234 -30.224 14.154 1.00 63.32 N ATOM 1075 CA SER A 611 -11.384 -29.395 13.837 1.00 43.40 C ATOM 1076 C SER A 611 -11.411 -28.167 14.750 1.00 30.32 C ATOM 1077 O SER A 611 -11.513 -28.298 15.969 1.00 62.10 O ATOM 1078 CB SER A 611 -12.687 -30.185 13.971 1.00 23.11 C ATOM 1079 OG SER A 611 -12.482 -31.585 13.800 1.00 1.03 O ATOM 0 H SER A 611 -10.060 -30.349 15.151 1.00 63.32 H new ATOM 0 HA SER A 611 -11.295 -29.068 12.801 1.00 43.40 H new ATOM 0 HB2 SER A 611 -13.124 -30.000 14.952 1.00 23.11 H new ATOM 0 HB3 SER A 611 -13.404 -29.830 13.230 1.00 23.11 H new ATOM 0 HG SER A 611 -13.337 -32.055 13.894 1.00 1.03 H new ATOM 1085 N CYS A 612 -11.318 -27.003 14.126 1.00 52.45 N ATOM 1086 CA CYS A 612 -11.331 -25.753 14.867 1.00 40.23 C ATOM 1087 C CYS A 612 -12.511 -25.784 15.841 1.00 44.25 C ATOM 1088 O CYS A 612 -13.663 -25.877 15.422 1.00 54.11 O ATOM 1089 CB CYS A 612 -11.393 -24.542 13.933 1.00 33.21 C ATOM 1090 SG CYS A 612 -11.301 -22.919 14.774 1.00 72.42 S ATOM 0 H CYS A 612 -11.233 -26.898 13.115 1.00 52.45 H new ATOM 0 HA CYS A 612 -10.402 -25.650 15.427 1.00 40.23 H new ATOM 0 HB2 CYS A 612 -10.574 -24.611 13.217 1.00 33.21 H new ATOM 0 HB3 CYS A 612 -12.321 -24.588 13.363 1.00 33.21 H new ATOM 0 HG CYS A 612 -12.071 -22.069 14.162 1.00 72.42 H new ATOM 1095 N ARG A 613 -12.181 -25.704 17.121 1.00 35.14 N ATOM 1096 CA ARG A 613 -13.199 -25.722 18.158 1.00 14.12 C ATOM 1097 C ARG A 613 -14.045 -24.448 18.094 1.00 23.20 C ATOM 1098 O ARG A 613 -15.217 -24.457 18.468 1.00 64.23 O ATOM 1099 CB ARG A 613 -12.569 -25.838 19.547 1.00 3.23 C ATOM 1100 CG ARG A 613 -13.582 -25.490 20.640 1.00 23.30 C ATOM 1101 CD ARG A 613 -12.957 -25.627 22.030 1.00 12.01 C ATOM 1102 NE ARG A 613 -13.951 -26.176 22.980 1.00 62.04 N ATOM 1103 CZ ARG A 613 -13.735 -26.314 24.305 1.00 32.11 C ATOM 1104 NH1 ARG A 613 -12.557 -25.944 24.850 1.00 42.41 N ATOM 1105 NH2 ARG A 613 -14.694 -26.817 25.061 1.00 42.05 N ATOM 0 H ARG A 613 -11.224 -25.627 17.464 1.00 35.14 H new ATOM 0 HA ARG A 613 -13.832 -26.592 17.985 1.00 14.12 H new ATOM 0 HB2 ARG A 613 -12.199 -26.852 19.699 1.00 3.23 H new ATOM 0 HB3 ARG A 613 -11.710 -25.171 19.617 1.00 3.23 H new ATOM 0 HG2 ARG A 613 -13.941 -24.471 20.497 1.00 23.30 H new ATOM 0 HG3 ARG A 613 -14.448 -26.147 20.560 1.00 23.30 H new ATOM 0 HD2 ARG A 613 -12.086 -26.281 21.983 1.00 12.01 H new ATOM 0 HD3 ARG A 613 -12.607 -24.655 22.378 1.00 12.01 H new ATOM 0 HE ARG A 613 -14.856 -26.468 22.610 1.00 62.04 H new ATOM 0 HH11 ARG A 613 -11.821 -25.556 24.259 1.00 42.41 H new ATOM 0 HH12 ARG A 613 -12.403 -26.052 25.852 1.00 42.41 H new ATOM 0 HH21 ARG A 613 -15.581 -27.094 24.642 1.00 42.05 H new ATOM 0 HH22 ARG A 613 -14.547 -26.928 26.064 1.00 42.05 H new ATOM 1118 N ASN A 614 -13.417 -23.383 17.618 1.00 71.14 N ATOM 1119 CA ASN A 614 -14.097 -22.104 17.500 1.00 70.33 C ATOM 1120 C ASN A 614 -15.213 -22.219 16.459 1.00 44.31 C ATOM 1121 O ASN A 614 -16.295 -21.664 16.640 1.00 12.25 O ATOM 1122 CB ASN A 614 -13.133 -21.008 17.041 1.00 32.31 C ATOM 1123 CG ASN A 614 -11.932 -20.905 17.983 1.00 20.01 C ATOM 1124 OD1 ASN A 614 -10.886 -20.274 17.458 1.00 41.41 O flip ATOM 1125 ND2 ASN A 614 -11.954 -21.368 19.112 1.00 25.12 N flip ATOM 0 H ASN A 614 -12.445 -23.379 17.310 1.00 71.14 H new ATOM 0 HA ASN A 614 -14.499 -21.844 18.479 1.00 70.33 H new ATOM 0 HB2 ASN A 614 -12.789 -21.222 16.029 1.00 32.31 H new ATOM 0 HB3 ASN A 614 -13.655 -20.052 17.005 1.00 32.31 H new ATOM 0 HD21 ASN A 614 -12.791 -21.841 19.453 1.00 25.12 H new ATOM 0 HD22 ASN A 614 -11.136 -21.282 19.715 1.00 25.12 H new ATOM 1132 N CYS A 615 -14.910 -22.942 15.391 1.00 20.31 N ATOM 1133 CA CYS A 615 -15.874 -23.137 14.321 1.00 3.31 C ATOM 1134 C CYS A 615 -16.075 -24.640 14.123 1.00 22.31 C ATOM 1135 O CYS A 615 -17.089 -25.195 14.544 1.00 62.23 O ATOM 1136 CB CYS A 615 -15.432 -22.445 13.030 1.00 52.13 C ATOM 1137 SG CYS A 615 -14.196 -21.115 13.256 1.00 42.13 S ATOM 0 H CYS A 615 -14.011 -23.400 15.244 1.00 20.31 H new ATOM 0 HA CYS A 615 -16.824 -22.678 14.595 1.00 3.31 H new ATOM 0 HB2 CYS A 615 -15.019 -23.195 12.356 1.00 52.13 H new ATOM 0 HB3 CYS A 615 -16.311 -22.026 12.540 1.00 52.13 H new ATOM 0 HG CYS A 615 -13.577 -21.285 14.386 1.00 42.13 H new ATOM 1142 N GLY A 616 -15.093 -25.257 13.482 1.00 23.14 N ATOM 1143 CA GLY A 616 -15.149 -26.686 13.224 1.00 52.25 C ATOM 1144 C GLY A 616 -14.425 -27.036 11.922 1.00 72.21 C ATOM 1145 O GLY A 616 -14.071 -28.192 11.696 1.00 30.34 O ATOM 0 H GLY A 616 -14.254 -24.793 13.134 1.00 23.14 H new ATOM 0 HA2 GLY A 616 -14.695 -27.227 14.054 1.00 52.25 H new ATOM 0 HA3 GLY A 616 -16.189 -27.008 13.164 1.00 52.25 H new ATOM 1149 N GLU A 617 -14.227 -26.017 11.099 1.00 0.45 N ATOM 1150 CA GLU A 617 -13.552 -26.202 9.826 1.00 24.34 C ATOM 1151 C GLU A 617 -12.338 -27.119 9.998 1.00 53.51 C ATOM 1152 O GLU A 617 -11.296 -26.688 10.488 1.00 24.34 O ATOM 1153 CB GLU A 617 -13.142 -24.858 9.222 1.00 53.04 C ATOM 1154 CG GLU A 617 -13.034 -24.952 7.698 1.00 22.33 C ATOM 1155 CD GLU A 617 -14.365 -24.601 7.031 1.00 11.11 C ATOM 1156 OE1 GLU A 617 -15.366 -24.373 7.727 1.00 50.14 O ATOM 1157 OE2 GLU A 617 -14.337 -24.568 5.742 1.00 42.12 O ATOM 0 H GLU A 617 -14.523 -25.060 11.289 1.00 0.45 H new ATOM 0 HA GLU A 617 -14.247 -26.677 9.134 1.00 24.34 H new ATOM 0 HB2 GLU A 617 -13.873 -24.096 9.492 1.00 53.04 H new ATOM 0 HB3 GLU A 617 -12.185 -24.544 9.639 1.00 53.04 H new ATOM 0 HG2 GLU A 617 -12.256 -24.276 7.343 1.00 22.33 H new ATOM 0 HG3 GLU A 617 -12.735 -25.961 7.413 1.00 22.33 H new ATOM 1165 N VAL A 618 -12.515 -28.365 9.584 1.00 2.22 N ATOM 1166 CA VAL A 618 -11.447 -29.345 9.686 1.00 73.32 C ATOM 1167 C VAL A 618 -10.205 -28.817 8.967 1.00 43.45 C ATOM 1168 O VAL A 618 -10.181 -28.734 7.739 1.00 33.35 O ATOM 1169 CB VAL A 618 -11.923 -30.695 9.144 1.00 41.21 C ATOM 1170 CG1 VAL A 618 -10.795 -31.728 9.180 1.00 73.22 C ATOM 1171 CG2 VAL A 618 -13.148 -31.193 9.913 1.00 73.25 C ATOM 0 H VAL A 618 -13.381 -28.718 9.178 1.00 2.22 H new ATOM 0 HA VAL A 618 -11.174 -29.506 10.729 1.00 73.32 H new ATOM 0 HB VAL A 618 -12.215 -30.555 8.103 1.00 41.21 H new ATOM 0 HG11 VAL A 618 -11.159 -32.678 8.790 1.00 73.22 H new ATOM 0 HG12 VAL A 618 -9.963 -31.380 8.568 1.00 73.22 H new ATOM 0 HG13 VAL A 618 -10.458 -31.863 10.208 1.00 73.22 H new ATOM 0 HG21 VAL A 618 -13.466 -32.154 9.508 1.00 73.25 H new ATOM 0 HG22 VAL A 618 -12.894 -31.310 10.966 1.00 73.25 H new ATOM 0 HG23 VAL A 618 -13.959 -30.471 9.813 1.00 73.25 H new ATOM 1181 N TRP A 619 -9.202 -28.472 9.761 1.00 11.20 N ATOM 1182 CA TRP A 619 -7.959 -27.953 9.215 1.00 32.25 C ATOM 1183 C TRP A 619 -7.279 -29.080 8.435 1.00 51.31 C ATOM 1184 O TRP A 619 -6.957 -28.918 7.259 1.00 73.43 O ATOM 1185 CB TRP A 619 -7.075 -27.374 10.321 1.00 2.51 C ATOM 1186 CG TRP A 619 -7.675 -26.153 11.023 1.00 61.35 C ATOM 1187 CD1 TRP A 619 -8.462 -25.204 10.498 1.00 70.33 C ATOM 1188 CD2 TRP A 619 -7.503 -25.787 12.408 1.00 74.20 C ATOM 1189 NE1 TRP A 619 -8.809 -24.257 11.440 1.00 60.04 N ATOM 1190 CE2 TRP A 619 -8.208 -24.623 12.638 1.00 4.01 C ATOM 1191 CE3 TRP A 619 -6.777 -26.419 13.433 1.00 74.22 C ATOM 1192 CZ2 TRP A 619 -8.255 -23.990 13.886 1.00 42.53 C ATOM 1193 CZ3 TRP A 619 -6.835 -25.773 14.674 1.00 63.52 C ATOM 1194 CH2 TRP A 619 -7.539 -24.601 14.922 1.00 62.02 C ATOM 0 H TRP A 619 -9.225 -28.542 10.778 1.00 11.20 H new ATOM 0 HA TRP A 619 -8.153 -27.125 8.533 1.00 32.25 H new ATOM 0 HB2 TRP A 619 -6.884 -28.149 11.063 1.00 2.51 H new ATOM 0 HB3 TRP A 619 -6.111 -27.097 9.894 1.00 2.51 H new ATOM 0 HD1 TRP A 619 -8.784 -25.183 9.467 1.00 70.33 H new ATOM 0 HE1 TRP A 619 -9.398 -23.439 11.285 1.00 60.04 H new ATOM 0 HE3 TRP A 619 -6.219 -27.330 13.276 1.00 74.22 H new ATOM 0 HZ2 TRP A 619 -8.814 -23.079 14.041 1.00 42.53 H new ATOM 0 HZ3 TRP A 619 -6.294 -26.217 15.497 1.00 63.52 H new ATOM 0 HH2 TRP A 619 -7.534 -24.164 15.909 1.00 62.02 H new ATOM 1205 N GLY A 620 -7.080 -30.196 9.121 1.00 53.40 N ATOM 1206 CA GLY A 620 -6.444 -31.349 8.507 1.00 53.43 C ATOM 1207 C GLY A 620 -6.356 -32.516 9.492 1.00 54.02 C ATOM 1208 O GLY A 620 -7.316 -33.267 9.657 1.00 34.10 O ATOM 0 H GLY A 620 -7.348 -30.326 10.096 1.00 53.40 H new ATOM 0 HA2 GLY A 620 -7.009 -31.654 7.626 1.00 53.43 H new ATOM 0 HA3 GLY A 620 -5.444 -31.079 8.167 1.00 53.43 H new ATOM 1212 N LEU A 621 -5.196 -32.632 10.121 1.00 40.24 N ATOM 1213 CA LEU A 621 -4.970 -33.695 11.085 1.00 32.00 C ATOM 1214 C LEU A 621 -3.756 -33.346 11.948 1.00 42.34 C ATOM 1215 O LEU A 621 -3.040 -32.388 11.659 1.00 22.11 O ATOM 1216 CB LEU A 621 -4.853 -35.046 10.376 1.00 42.42 C ATOM 1217 CG LEU A 621 -3.468 -35.696 10.397 1.00 32.44 C ATOM 1218 CD1 LEU A 621 -3.443 -36.961 9.536 1.00 12.41 C ATOM 1219 CD2 LEU A 621 -2.386 -34.698 9.981 1.00 14.32 C ATOM 0 H LEU A 621 -4.402 -32.007 9.982 1.00 40.24 H new ATOM 0 HA LEU A 621 -5.823 -33.787 11.757 1.00 32.00 H new ATOM 0 HB2 LEU A 621 -5.563 -35.736 10.832 1.00 42.42 H new ATOM 0 HB3 LEU A 621 -5.156 -34.916 9.337 1.00 42.42 H new ATOM 0 HG LEU A 621 -3.249 -35.999 11.421 1.00 32.44 H new ATOM 0 HD11 LEU A 621 -2.447 -37.403 9.568 1.00 12.41 H new ATOM 0 HD12 LEU A 621 -4.171 -37.676 9.919 1.00 12.41 H new ATOM 0 HD13 LEU A 621 -3.693 -36.705 8.506 1.00 12.41 H new ATOM 0 HD21 LEU A 621 -1.412 -35.187 10.005 1.00 14.32 H new ATOM 0 HD22 LEU A 621 -2.589 -34.342 8.971 1.00 14.32 H new ATOM 0 HD23 LEU A 621 -2.385 -33.854 10.670 1.00 14.32 H new ATOM 1231 N GLN A 622 -3.561 -34.141 12.989 1.00 72.41 N ATOM 1232 CA GLN A 622 -2.446 -33.928 13.896 1.00 62.45 C ATOM 1233 C GLN A 622 -1.321 -34.922 13.597 1.00 75.15 C ATOM 1234 O GLN A 622 -1.560 -35.978 13.012 1.00 15.23 O ATOM 1235 CB GLN A 622 -2.897 -34.033 15.354 1.00 63.23 C ATOM 1236 CG GLN A 622 -2.240 -32.949 16.210 1.00 3.21 C ATOM 1237 CD GLN A 622 -2.040 -33.432 17.648 1.00 0.11 C ATOM 1238 OE1 GLN A 622 -0.947 -33.773 18.070 1.00 40.24 O ATOM 1239 NE2 GLN A 622 -3.154 -33.442 18.375 1.00 4.11 N ATOM 0 H GLN A 622 -4.157 -34.935 13.225 1.00 72.41 H new ATOM 0 HA GLN A 622 -2.064 -32.919 13.740 1.00 62.45 H new ATOM 0 HB2 GLN A 622 -3.981 -33.939 15.411 1.00 63.23 H new ATOM 0 HB3 GLN A 622 -2.642 -35.017 15.748 1.00 63.23 H new ATOM 0 HG2 GLN A 622 -1.278 -32.673 15.778 1.00 3.21 H new ATOM 0 HG3 GLN A 622 -2.860 -32.052 16.207 1.00 3.21 H new ATOM 0 HE21 GLN A 622 -4.037 -33.144 17.960 1.00 4.11 H new ATOM 0 HE22 GLN A 622 -3.126 -33.748 19.348 1.00 4.11 H new ATOM 1248 N MET A 623 -0.120 -34.549 14.011 1.00 64.12 N ATOM 1249 CA MET A 623 1.042 -35.395 13.795 1.00 43.53 C ATOM 1250 C MET A 623 1.973 -35.368 15.009 1.00 43.14 C ATOM 1251 O MET A 623 2.044 -34.366 15.719 1.00 21.42 O ATOM 1252 CB MET A 623 1.802 -34.912 12.558 1.00 41.44 C ATOM 1253 CG MET A 623 0.994 -35.167 11.284 1.00 42.14 C ATOM 1254 SD MET A 623 1.362 -36.792 10.642 1.00 5.55 S ATOM 1255 CE MET A 623 0.293 -36.810 9.213 1.00 22.53 C ATOM 0 H MET A 623 0.074 -33.672 14.495 1.00 64.12 H new ATOM 0 HA MET A 623 0.700 -36.419 13.646 1.00 43.53 H new ATOM 0 HB2 MET A 623 2.015 -33.847 12.651 1.00 41.44 H new ATOM 0 HB3 MET A 623 2.762 -35.425 12.493 1.00 41.44 H new ATOM 0 HG2 MET A 623 -0.072 -35.084 11.497 1.00 42.14 H new ATOM 0 HG3 MET A 623 1.230 -34.410 10.536 1.00 42.14 H new ATOM 0 HE1 MET A 623 0.766 -37.377 8.412 1.00 22.53 H new ATOM 0 HE2 MET A 623 -0.657 -37.276 9.475 1.00 22.53 H new ATOM 0 HE3 MET A 623 0.116 -35.788 8.878 1.00 22.53 H new ATOM 1265 N ILE A 624 2.664 -36.481 15.209 1.00 41.51 N ATOM 1266 CA ILE A 624 3.588 -36.597 16.325 1.00 73.44 C ATOM 1267 C ILE A 624 4.989 -36.902 15.791 1.00 0.22 C ATOM 1268 O ILE A 624 5.180 -37.868 15.055 1.00 64.15 O ATOM 1269 CB ILE A 624 3.078 -37.626 17.337 1.00 41.54 C ATOM 1270 CG1 ILE A 624 1.651 -37.298 17.779 1.00 35.13 C ATOM 1271 CG2 ILE A 624 4.034 -37.745 18.525 1.00 12.14 C ATOM 1272 CD1 ILE A 624 0.649 -37.589 16.660 1.00 70.31 C ATOM 0 H ILE A 624 2.603 -37.310 14.618 1.00 41.51 H new ATOM 0 HA ILE A 624 3.651 -35.654 16.868 1.00 73.44 H new ATOM 0 HB ILE A 624 3.048 -38.600 16.850 1.00 41.54 H new ATOM 0 HG12 ILE A 624 1.396 -37.885 18.662 1.00 35.13 H new ATOM 0 HG13 ILE A 624 1.587 -36.248 18.065 1.00 35.13 H new ATOM 0 HG21 ILE A 624 3.649 -38.482 19.229 1.00 12.14 H new ATOM 0 HG22 ILE A 624 5.016 -38.059 18.172 1.00 12.14 H new ATOM 0 HG23 ILE A 624 4.119 -36.779 19.022 1.00 12.14 H new ATOM 0 HD11 ILE A 624 -0.358 -37.347 17.001 1.00 70.31 H new ATOM 0 HD12 ILE A 624 0.892 -36.983 15.787 1.00 70.31 H new ATOM 0 HD13 ILE A 624 0.698 -38.645 16.393 1.00 70.31 H new ATOM 1284 N TYR A 625 5.933 -36.059 16.184 1.00 31.11 N ATOM 1285 CA TYR A 625 7.311 -36.226 15.755 1.00 40.13 C ATOM 1286 C TYR A 625 8.271 -36.127 16.942 1.00 20.40 C ATOM 1287 O TYR A 625 8.434 -35.057 17.526 1.00 32.21 O ATOM 1288 CB TYR A 625 7.594 -35.074 14.788 1.00 0.04 C ATOM 1289 CG TYR A 625 9.083 -34.805 14.560 1.00 13.44 C ATOM 1290 CD1 TYR A 625 9.763 -35.482 13.569 1.00 55.25 C ATOM 1291 CD2 TYR A 625 9.746 -33.884 15.347 1.00 72.14 C ATOM 1292 CE1 TYR A 625 11.164 -35.228 13.354 1.00 74.21 C ATOM 1293 CE2 TYR A 625 11.147 -33.631 15.132 1.00 50.41 C ATOM 1294 CZ TYR A 625 11.787 -34.315 14.146 1.00 33.22 C ATOM 1295 OH TYR A 625 13.110 -34.076 13.943 1.00 0.35 O ATOM 0 H TYR A 625 5.770 -35.258 16.795 1.00 31.11 H new ATOM 0 HA TYR A 625 7.454 -37.204 15.294 1.00 40.13 H new ATOM 0 HB2 TYR A 625 7.124 -35.294 13.829 1.00 0.04 H new ATOM 0 HB3 TYR A 625 7.126 -34.168 15.172 1.00 0.04 H new ATOM 0 HD1 TYR A 625 9.244 -36.203 12.954 1.00 55.25 H new ATOM 0 HD2 TYR A 625 9.214 -33.354 16.123 1.00 72.14 H new ATOM 0 HE1 TYR A 625 11.708 -35.751 12.581 1.00 74.21 H new ATOM 0 HE2 TYR A 625 11.678 -32.914 15.740 1.00 50.41 H new ATOM 0 HH TYR A 625 13.422 -33.400 14.580 1.00 0.35 H new ATOM 1305 N LYS A 626 8.882 -37.258 17.264 1.00 73.44 N ATOM 1306 CA LYS A 626 9.821 -37.313 18.371 1.00 42.03 C ATOM 1307 C LYS A 626 9.084 -37.004 19.675 1.00 1.52 C ATOM 1308 O LYS A 626 9.702 -36.611 20.664 1.00 62.13 O ATOM 1309 CB LYS A 626 11.015 -36.394 18.106 1.00 2.41 C ATOM 1310 CG LYS A 626 11.516 -36.546 16.668 1.00 2.44 C ATOM 1311 CD LYS A 626 12.373 -37.804 16.517 1.00 42.14 C ATOM 1312 CE LYS A 626 11.520 -39.000 16.088 1.00 4.30 C ATOM 1313 NZ LYS A 626 11.479 -39.104 14.612 1.00 34.12 N ATOM 0 H LYS A 626 8.745 -38.144 16.777 1.00 73.44 H new ATOM 0 HA LYS A 626 10.236 -38.316 18.470 1.00 42.03 H new ATOM 0 HB2 LYS A 626 10.728 -35.358 18.287 1.00 2.41 H new ATOM 0 HB3 LYS A 626 11.820 -36.628 18.802 1.00 2.41 H new ATOM 0 HG2 LYS A 626 10.667 -36.596 15.986 1.00 2.44 H new ATOM 0 HG3 LYS A 626 12.099 -35.669 16.387 1.00 2.44 H new ATOM 0 HD2 LYS A 626 13.156 -37.628 15.780 1.00 42.14 H new ATOM 0 HD3 LYS A 626 12.869 -38.026 17.462 1.00 42.14 H new ATOM 0 HE2 LYS A 626 11.929 -39.917 16.512 1.00 4.30 H new ATOM 0 HE3 LYS A 626 10.508 -38.892 16.479 1.00 4.30 H new ATOM 0 HZ1 LYS A 626 10.896 -39.921 14.338 1.00 34.12 H new ATOM 0 HZ2 LYS A 626 11.068 -38.236 14.214 1.00 34.12 H new ATOM 0 HZ3 LYS A 626 12.444 -39.229 14.246 1.00 34.12 H new ATOM 1326 N SER A 627 7.773 -37.192 19.636 1.00 42.22 N ATOM 1327 CA SER A 627 6.945 -36.938 20.803 1.00 42.34 C ATOM 1328 C SER A 627 6.554 -35.460 20.854 1.00 14.44 C ATOM 1329 O SER A 627 6.497 -34.866 21.930 1.00 32.13 O ATOM 1330 CB SER A 627 7.668 -37.341 22.089 1.00 2.33 C ATOM 1331 OG SER A 627 8.420 -36.262 22.639 1.00 23.31 O ATOM 0 H SER A 627 7.264 -37.517 18.814 1.00 42.22 H new ATOM 0 HA SER A 627 6.042 -37.544 20.721 1.00 42.34 H new ATOM 0 HB2 SER A 627 6.939 -37.686 22.822 1.00 2.33 H new ATOM 0 HB3 SER A 627 8.334 -38.179 21.883 1.00 2.33 H new ATOM 0 HG SER A 627 9.287 -36.203 22.186 1.00 23.31 H new ATOM 1337 N VAL A 628 6.294 -34.908 19.678 1.00 14.23 N ATOM 1338 CA VAL A 628 5.909 -33.510 19.576 1.00 71.31 C ATOM 1339 C VAL A 628 4.578 -33.406 18.828 1.00 43.41 C ATOM 1340 O VAL A 628 4.501 -33.727 17.643 1.00 21.22 O ATOM 1341 CB VAL A 628 7.031 -32.706 18.916 1.00 14.31 C ATOM 1342 CG1 VAL A 628 6.561 -31.291 18.572 1.00 40.12 C ATOM 1343 CG2 VAL A 628 8.275 -32.669 19.805 1.00 23.50 C ATOM 0 H VAL A 628 6.342 -35.403 18.788 1.00 14.23 H new ATOM 0 HA VAL A 628 5.759 -33.081 20.567 1.00 71.31 H new ATOM 0 HB VAL A 628 7.299 -33.206 17.985 1.00 14.31 H new ATOM 0 HG11 VAL A 628 7.377 -30.740 18.104 1.00 40.12 H new ATOM 0 HG12 VAL A 628 5.718 -31.345 17.883 1.00 40.12 H new ATOM 0 HG13 VAL A 628 6.253 -30.778 19.483 1.00 40.12 H new ATOM 0 HG21 VAL A 628 9.057 -32.091 19.312 1.00 23.50 H new ATOM 0 HG22 VAL A 628 8.027 -32.204 20.759 1.00 23.50 H new ATOM 0 HG23 VAL A 628 8.629 -33.685 19.978 1.00 23.50 H new ATOM 1353 N LYS A 629 3.564 -32.954 19.551 1.00 73.43 N ATOM 1354 CA LYS A 629 2.240 -32.803 18.970 1.00 22.32 C ATOM 1355 C LYS A 629 2.221 -31.566 18.071 1.00 13.40 C ATOM 1356 O LYS A 629 2.106 -30.442 18.558 1.00 52.11 O ATOM 1357 CB LYS A 629 1.173 -32.784 20.067 1.00 43.42 C ATOM 1358 CG LYS A 629 1.247 -34.048 20.926 1.00 53.41 C ATOM 1359 CD LYS A 629 0.410 -35.174 20.317 1.00 74.14 C ATOM 1360 CE LYS A 629 -1.037 -35.110 20.809 1.00 34.05 C ATOM 1361 NZ LYS A 629 -1.088 -35.222 22.284 1.00 1.04 N ATOM 0 H LYS A 629 3.632 -32.687 20.533 1.00 73.43 H new ATOM 0 HA LYS A 629 2.000 -33.659 18.339 1.00 22.32 H new ATOM 0 HB2 LYS A 629 1.309 -31.904 20.696 1.00 43.42 H new ATOM 0 HB3 LYS A 629 0.184 -32.704 19.616 1.00 43.42 H new ATOM 0 HG2 LYS A 629 2.284 -34.370 21.017 1.00 53.41 H new ATOM 0 HG3 LYS A 629 0.891 -33.829 21.933 1.00 53.41 H new ATOM 0 HD2 LYS A 629 0.432 -35.101 19.230 1.00 74.14 H new ATOM 0 HD3 LYS A 629 0.845 -36.138 20.580 1.00 74.14 H new ATOM 0 HE2 LYS A 629 -1.493 -34.172 20.494 1.00 34.05 H new ATOM 0 HE3 LYS A 629 -1.617 -35.915 20.357 1.00 34.05 H new ATOM 0 HZ1 LYS A 629 -1.805 -35.925 22.554 1.00 1.04 H new ATOM 0 HZ2 LYS A 629 -0.158 -35.521 22.642 1.00 1.04 H new ATOM 0 HZ3 LYS A 629 -1.336 -34.299 22.694 1.00 1.04 H new ATOM 1374 N LEU A 630 2.335 -31.814 16.775 1.00 53.45 N ATOM 1375 CA LEU A 630 2.332 -30.733 15.803 1.00 74.32 C ATOM 1376 C LEU A 630 1.145 -30.911 14.853 1.00 44.10 C ATOM 1377 O LEU A 630 1.119 -31.847 14.055 1.00 42.50 O ATOM 1378 CB LEU A 630 3.683 -30.650 15.090 1.00 10.22 C ATOM 1379 CG LEU A 630 4.918 -30.636 15.993 1.00 12.55 C ATOM 1380 CD1 LEU A 630 6.195 -30.449 15.173 1.00 44.13 C ATOM 1381 CD2 LEU A 630 4.782 -29.578 17.091 1.00 21.20 C ATOM 0 H LEU A 630 2.430 -32.747 16.375 1.00 53.45 H new ATOM 0 HA LEU A 630 2.201 -29.772 16.301 1.00 74.32 H new ATOM 0 HB2 LEU A 630 3.765 -31.497 14.409 1.00 10.22 H new ATOM 0 HB3 LEU A 630 3.694 -29.748 14.479 1.00 10.22 H new ATOM 0 HG LEU A 630 4.991 -31.605 16.486 1.00 12.55 H new ATOM 0 HD11 LEU A 630 7.058 -30.443 15.839 1.00 44.13 H new ATOM 0 HD12 LEU A 630 6.293 -31.268 14.460 1.00 44.13 H new ATOM 0 HD13 LEU A 630 6.146 -29.503 14.634 1.00 44.13 H new ATOM 0 HD21 LEU A 630 5.673 -29.589 17.719 1.00 21.20 H new ATOM 0 HD22 LEU A 630 4.670 -28.594 16.636 1.00 21.20 H new ATOM 0 HD23 LEU A 630 3.906 -29.797 17.701 1.00 21.20 H new ATOM 1393 N PRO A 631 0.167 -29.974 14.973 1.00 3.44 N ATOM 1394 CA PRO A 631 -1.019 -30.018 14.135 1.00 3.42 C ATOM 1395 C PRO A 631 -0.702 -29.554 12.712 1.00 43.10 C ATOM 1396 O PRO A 631 0.032 -28.586 12.520 1.00 51.44 O ATOM 1397 CB PRO A 631 -2.031 -29.128 14.838 1.00 4.33 C ATOM 1398 CG PRO A 631 -1.228 -28.254 15.789 1.00 70.03 C ATOM 1399 CD PRO A 631 0.165 -28.851 15.907 1.00 35.44 C ATOM 0 HA PRO A 631 -1.412 -31.028 14.015 1.00 3.42 H new ATOM 0 HB2 PRO A 631 -2.582 -28.520 14.120 1.00 4.33 H new ATOM 0 HB3 PRO A 631 -2.765 -29.724 15.381 1.00 4.33 H new ATOM 0 HG2 PRO A 631 -1.175 -27.232 15.415 1.00 70.03 H new ATOM 0 HG3 PRO A 631 -1.709 -28.211 16.766 1.00 70.03 H new ATOM 0 HD2 PRO A 631 0.932 -28.121 15.650 1.00 35.44 H new ATOM 0 HD3 PRO A 631 0.369 -29.182 16.925 1.00 35.44 H new ATOM 1407 N VAL A 632 -1.271 -30.267 11.751 1.00 24.01 N ATOM 1408 CA VAL A 632 -1.058 -29.941 10.351 1.00 11.32 C ATOM 1409 C VAL A 632 -2.263 -29.158 9.826 1.00 73.33 C ATOM 1410 O VAL A 632 -3.214 -29.747 9.313 1.00 13.43 O ATOM 1411 CB VAL A 632 -0.779 -31.216 9.553 1.00 30.01 C ATOM 1412 CG1 VAL A 632 -0.403 -30.887 8.107 1.00 1.42 C ATOM 1413 CG2 VAL A 632 0.309 -32.056 10.225 1.00 32.21 C ATOM 0 H VAL A 632 -1.879 -31.069 11.914 1.00 24.01 H new ATOM 0 HA VAL A 632 -0.181 -29.304 10.236 1.00 11.32 H new ATOM 0 HB VAL A 632 -1.695 -31.807 9.534 1.00 30.01 H new ATOM 0 HG11 VAL A 632 -0.210 -31.811 7.562 1.00 1.42 H new ATOM 0 HG12 VAL A 632 -1.223 -30.350 7.631 1.00 1.42 H new ATOM 0 HG13 VAL A 632 0.492 -30.266 8.096 1.00 1.42 H new ATOM 0 HG21 VAL A 632 0.488 -32.957 9.638 1.00 32.21 H new ATOM 0 HG22 VAL A 632 1.229 -31.475 10.289 1.00 32.21 H new ATOM 0 HG23 VAL A 632 -0.014 -32.335 11.228 1.00 32.21 H new ATOM 1423 N LEU A 633 -2.184 -27.844 9.971 1.00 51.20 N ATOM 1424 CA LEU A 633 -3.257 -26.975 9.517 1.00 4.34 C ATOM 1425 C LEU A 633 -2.981 -26.542 8.076 1.00 11.41 C ATOM 1426 O LEU A 633 -1.903 -26.797 7.543 1.00 63.54 O ATOM 1427 CB LEU A 633 -3.444 -25.805 10.486 1.00 74.22 C ATOM 1428 CG LEU A 633 -3.438 -26.159 11.974 1.00 21.33 C ATOM 1429 CD1 LEU A 633 -3.850 -27.616 12.193 1.00 33.21 C ATOM 1430 CD2 LEU A 633 -2.080 -25.847 12.606 1.00 1.13 C ATOM 0 H LEU A 633 -1.394 -27.359 10.396 1.00 51.20 H new ATOM 0 HA LEU A 633 -4.206 -27.511 9.513 1.00 4.34 H new ATOM 0 HB2 LEU A 633 -2.653 -25.077 10.303 1.00 74.22 H new ATOM 0 HB3 LEU A 633 -4.389 -25.314 10.253 1.00 74.22 H new ATOM 0 HG LEU A 633 -4.178 -25.536 12.476 1.00 21.33 H new ATOM 0 HD11 LEU A 633 -3.837 -27.841 13.259 1.00 33.21 H new ATOM 0 HD12 LEU A 633 -4.855 -27.773 11.801 1.00 33.21 H new ATOM 0 HD13 LEU A 633 -3.152 -28.273 11.675 1.00 33.21 H new ATOM 0 HD21 LEU A 633 -2.103 -26.108 13.664 1.00 1.13 H new ATOM 0 HD22 LEU A 633 -1.304 -26.427 12.106 1.00 1.13 H new ATOM 0 HD23 LEU A 633 -1.864 -24.784 12.499 1.00 1.13 H new ATOM 1442 N LYS A 634 -3.975 -25.893 7.487 1.00 43.22 N ATOM 1443 CA LYS A 634 -3.853 -25.422 6.118 1.00 41.34 C ATOM 1444 C LYS A 634 -3.806 -23.892 6.111 1.00 32.44 C ATOM 1445 O LYS A 634 -3.711 -23.266 7.166 1.00 74.41 O ATOM 1446 CB LYS A 634 -4.968 -26.006 5.249 1.00 72.44 C ATOM 1447 CG LYS A 634 -6.151 -26.460 6.107 1.00 70.24 C ATOM 1448 CD LYS A 634 -7.161 -27.253 5.274 1.00 45.44 C ATOM 1449 CE LYS A 634 -7.643 -26.435 4.074 1.00 62.25 C ATOM 1450 NZ LYS A 634 -8.723 -27.152 3.359 1.00 41.51 N ATOM 0 H LYS A 634 -4.868 -25.682 7.933 1.00 43.22 H new ATOM 0 HA LYS A 634 -2.920 -25.772 5.677 1.00 41.34 H new ATOM 0 HB2 LYS A 634 -5.302 -25.259 4.529 1.00 72.44 H new ATOM 0 HB3 LYS A 634 -4.584 -26.851 4.677 1.00 72.44 H new ATOM 0 HG2 LYS A 634 -5.792 -27.075 6.932 1.00 70.24 H new ATOM 0 HG3 LYS A 634 -6.640 -25.591 6.547 1.00 70.24 H new ATOM 0 HD2 LYS A 634 -6.704 -28.180 4.927 1.00 45.44 H new ATOM 0 HD3 LYS A 634 -8.012 -27.530 5.895 1.00 45.44 H new ATOM 0 HE2 LYS A 634 -8.004 -25.463 4.410 1.00 62.25 H new ATOM 0 HE3 LYS A 634 -6.811 -26.249 3.395 1.00 62.25 H new ATOM 0 HZ1 LYS A 634 -9.345 -26.463 2.889 1.00 41.51 H new ATOM 0 HZ2 LYS A 634 -8.307 -27.785 2.647 1.00 41.51 H new ATOM 0 HZ3 LYS A 634 -9.277 -27.712 4.038 1.00 41.51 H new ATOM 1463 N VAL A 635 -3.875 -23.335 4.911 1.00 22.04 N ATOM 1464 CA VAL A 635 -3.841 -21.891 4.754 1.00 55.11 C ATOM 1465 C VAL A 635 -5.240 -21.390 4.386 1.00 45.00 C ATOM 1466 O VAL A 635 -5.709 -20.392 4.931 1.00 23.21 O ATOM 1467 CB VAL A 635 -2.777 -21.501 3.726 1.00 10.04 C ATOM 1468 CG1 VAL A 635 -2.795 -22.454 2.530 1.00 71.03 C ATOM 1469 CG2 VAL A 635 -2.956 -20.050 3.275 1.00 74.22 C ATOM 0 H VAL A 635 -3.954 -23.857 4.039 1.00 22.04 H new ATOM 0 HA VAL A 635 -3.559 -21.411 5.691 1.00 55.11 H new ATOM 0 HB VAL A 635 -1.802 -21.584 4.205 1.00 10.04 H new ATOM 0 HG11 VAL A 635 -2.029 -22.154 1.814 1.00 71.03 H new ATOM 0 HG12 VAL A 635 -2.595 -23.470 2.871 1.00 71.03 H new ATOM 0 HG13 VAL A 635 -3.773 -22.418 2.051 1.00 71.03 H new ATOM 0 HG21 VAL A 635 -2.187 -19.799 2.545 1.00 74.22 H new ATOM 0 HG22 VAL A 635 -3.940 -19.928 2.822 1.00 74.22 H new ATOM 0 HG23 VAL A 635 -2.869 -19.388 4.136 1.00 74.22 H new ATOM 1479 N ARG A 636 -5.866 -22.106 3.464 1.00 41.45 N ATOM 1480 CA ARG A 636 -7.201 -21.746 3.016 1.00 21.23 C ATOM 1481 C ARG A 636 -8.180 -21.775 4.191 1.00 32.35 C ATOM 1482 O ARG A 636 -9.290 -21.254 4.092 1.00 20.23 O ATOM 1483 CB ARG A 636 -7.693 -22.702 1.928 1.00 41.15 C ATOM 1484 CG ARG A 636 -7.695 -24.148 2.427 1.00 2.04 C ATOM 1485 CD ARG A 636 -7.403 -25.123 1.285 1.00 34.31 C ATOM 1486 NE ARG A 636 -5.957 -25.432 1.240 1.00 22.31 N ATOM 1487 CZ ARG A 636 -5.430 -26.497 0.600 1.00 61.55 C ATOM 1488 NH1 ARG A 636 -6.228 -27.366 -0.057 1.00 33.25 N ATOM 1489 NH2 ARG A 636 -4.122 -26.677 0.624 1.00 14.14 N ATOM 0 H ARG A 636 -5.474 -22.934 3.015 1.00 41.45 H new ATOM 0 HA ARG A 636 -7.152 -20.738 2.603 1.00 21.23 H new ATOM 0 HB2 ARG A 636 -8.699 -22.419 1.619 1.00 41.15 H new ATOM 0 HB3 ARG A 636 -7.054 -22.618 1.049 1.00 41.15 H new ATOM 0 HG2 ARG A 636 -6.947 -24.267 3.211 1.00 2.04 H new ATOM 0 HG3 ARG A 636 -8.663 -24.382 2.871 1.00 2.04 H new ATOM 0 HD2 ARG A 636 -7.975 -26.040 1.424 1.00 34.31 H new ATOM 0 HD3 ARG A 636 -7.720 -24.690 0.336 1.00 34.31 H new ATOM 0 HE ARG A 636 -5.318 -24.800 1.723 1.00 22.31 H new ATOM 0 HH11 ARG A 636 -7.237 -27.220 -0.072 1.00 33.25 H new ATOM 0 HH12 ARG A 636 -5.821 -28.168 -0.538 1.00 33.25 H new ATOM 0 HH21 ARG A 636 -3.525 -26.016 1.121 1.00 14.14 H new ATOM 0 HH22 ARG A 636 -3.708 -27.477 0.145 1.00 14.14 H new ATOM 1502 N SER A 637 -7.734 -22.390 5.277 1.00 1.31 N ATOM 1503 CA SER A 637 -8.557 -22.494 6.470 1.00 11.40 C ATOM 1504 C SER A 637 -8.006 -21.580 7.567 1.00 33.31 C ATOM 1505 O SER A 637 -8.698 -21.287 8.541 1.00 40.11 O ATOM 1506 CB SER A 637 -8.626 -23.939 6.967 1.00 11.34 C ATOM 1507 OG SER A 637 -9.828 -24.199 7.688 1.00 50.34 O ATOM 0 H SER A 637 -6.813 -22.821 5.355 1.00 1.31 H new ATOM 0 HA SER A 637 -9.569 -22.177 6.217 1.00 11.40 H new ATOM 0 HB2 SER A 637 -8.559 -24.618 6.117 1.00 11.34 H new ATOM 0 HB3 SER A 637 -7.768 -24.144 7.607 1.00 11.34 H new ATOM 0 HG SER A 637 -9.994 -25.165 7.710 1.00 50.34 H new ATOM 1513 N MET A 638 -6.766 -21.156 7.372 1.00 32.43 N ATOM 1514 CA MET A 638 -6.114 -20.283 8.333 1.00 55.50 C ATOM 1515 C MET A 638 -6.016 -18.853 7.796 1.00 71.35 C ATOM 1516 O MET A 638 -5.441 -18.624 6.733 1.00 63.22 O ATOM 1517 CB MET A 638 -4.711 -20.812 8.635 1.00 33.22 C ATOM 1518 CG MET A 638 -4.776 -22.079 9.491 1.00 40.02 C ATOM 1519 SD MET A 638 -5.344 -21.677 11.134 1.00 35.14 S ATOM 1520 CE MET A 638 -7.033 -22.246 11.026 1.00 22.53 C ATOM 0 H MET A 638 -6.196 -21.401 6.563 1.00 32.43 H new ATOM 0 HA MET A 638 -6.710 -20.269 9.245 1.00 55.50 H new ATOM 0 HB2 MET A 638 -4.190 -21.026 7.702 1.00 33.22 H new ATOM 0 HB3 MET A 638 -4.134 -20.047 9.154 1.00 33.22 H new ATOM 0 HG2 MET A 638 -5.448 -22.804 9.032 1.00 40.02 H new ATOM 0 HG3 MET A 638 -3.792 -22.545 9.541 1.00 40.02 H new ATOM 0 HE1 MET A 638 -7.440 -22.371 12.030 1.00 22.53 H new ATOM 0 HE2 MET A 638 -7.629 -21.514 10.481 1.00 22.53 H new ATOM 0 HE3 MET A 638 -7.062 -23.201 10.502 1.00 22.53 H new ATOM 1530 N LEU A 639 -6.587 -17.929 8.554 1.00 24.25 N ATOM 1531 CA LEU A 639 -6.570 -16.529 8.168 1.00 54.32 C ATOM 1532 C LEU A 639 -5.278 -15.881 8.668 1.00 1.23 C ATOM 1533 O LEU A 639 -4.763 -16.249 9.723 1.00 64.13 O ATOM 1534 CB LEU A 639 -7.839 -15.824 8.653 1.00 72.35 C ATOM 1535 CG LEU A 639 -8.343 -14.674 7.779 1.00 53.04 C ATOM 1536 CD1 LEU A 639 -7.322 -13.536 7.728 1.00 70.04 C ATOM 1537 CD2 LEU A 639 -8.718 -15.171 6.381 1.00 52.21 C ATOM 0 H LEU A 639 -7.065 -18.123 9.434 1.00 24.25 H new ATOM 0 HA LEU A 639 -6.575 -16.434 7.082 1.00 54.32 H new ATOM 0 HB2 LEU A 639 -8.633 -16.566 8.737 1.00 72.35 H new ATOM 0 HB3 LEU A 639 -7.656 -15.439 9.656 1.00 72.35 H new ATOM 0 HG LEU A 639 -9.250 -14.273 8.232 1.00 53.04 H new ATOM 0 HD11 LEU A 639 -7.705 -12.731 7.100 1.00 70.04 H new ATOM 0 HD12 LEU A 639 -7.147 -13.158 8.735 1.00 70.04 H new ATOM 0 HD13 LEU A 639 -6.385 -13.906 7.312 1.00 70.04 H new ATOM 0 HD21 LEU A 639 -9.073 -14.334 5.780 1.00 52.21 H new ATOM 0 HD22 LEU A 639 -7.843 -15.614 5.905 1.00 52.21 H new ATOM 0 HD23 LEU A 639 -9.506 -15.920 6.460 1.00 52.21 H new ATOM 1549 N LEU A 640 -4.791 -14.927 7.888 1.00 13.23 N ATOM 1550 CA LEU A 640 -3.569 -14.224 8.239 1.00 22.12 C ATOM 1551 C LEU A 640 -3.893 -12.756 8.523 1.00 30.11 C ATOM 1552 O LEU A 640 -3.964 -11.943 7.603 1.00 60.11 O ATOM 1553 CB LEU A 640 -2.508 -14.421 7.155 1.00 44.13 C ATOM 1554 CG LEU A 640 -2.400 -15.831 6.570 1.00 43.42 C ATOM 1555 CD1 LEU A 640 -1.436 -15.859 5.382 1.00 52.12 C ATOM 1556 CD2 LEU A 640 -2.010 -16.843 7.648 1.00 23.33 C ATOM 0 H LEU A 640 -5.221 -14.624 7.014 1.00 13.23 H new ATOM 0 HA LEU A 640 -3.140 -14.638 9.152 1.00 22.12 H new ATOM 0 HB2 LEU A 640 -2.715 -13.726 6.341 1.00 44.13 H new ATOM 0 HB3 LEU A 640 -1.538 -14.146 7.570 1.00 44.13 H new ATOM 0 HG LEU A 640 -3.381 -16.122 6.195 1.00 43.42 H new ATOM 0 HD11 LEU A 640 -1.377 -16.872 4.985 1.00 52.12 H new ATOM 0 HD12 LEU A 640 -1.797 -15.185 4.605 1.00 52.12 H new ATOM 0 HD13 LEU A 640 -0.446 -15.540 5.709 1.00 52.12 H new ATOM 0 HD21 LEU A 640 -1.940 -17.837 7.206 1.00 23.33 H new ATOM 0 HD22 LEU A 640 -1.046 -16.567 8.074 1.00 23.33 H new ATOM 0 HD23 LEU A 640 -2.766 -16.848 8.433 1.00 23.33 H new ATOM 1568 N GLU A 641 -4.081 -12.461 9.801 1.00 32.31 N ATOM 1569 CA GLU A 641 -4.396 -11.105 10.218 1.00 73.42 C ATOM 1570 C GLU A 641 -3.152 -10.220 10.127 1.00 51.51 C ATOM 1571 O GLU A 641 -2.110 -10.547 10.691 1.00 23.54 O ATOM 1572 CB GLU A 641 -4.979 -11.088 11.632 1.00 35.12 C ATOM 1573 CG GLU A 641 -6.504 -10.966 11.595 1.00 11.41 C ATOM 1574 CD GLU A 641 -7.096 -11.064 13.002 1.00 34.44 C ATOM 1575 OE1 GLU A 641 -6.362 -10.943 13.994 1.00 21.21 O ATOM 1576 OE2 GLU A 641 -8.369 -11.274 13.045 1.00 4.11 O ATOM 0 H GLU A 641 -4.021 -13.138 10.562 1.00 32.31 H new ATOM 0 HA GLU A 641 -5.153 -10.705 9.544 1.00 73.42 H new ATOM 0 HB2 GLU A 641 -4.696 -12.001 12.157 1.00 35.12 H new ATOM 0 HB3 GLU A 641 -4.557 -10.254 12.193 1.00 35.12 H new ATOM 0 HG2 GLU A 641 -6.785 -10.015 11.144 1.00 11.41 H new ATOM 0 HG3 GLU A 641 -6.920 -11.753 10.966 1.00 11.41 H new ATOM 1584 N THR A 642 -3.303 -9.114 9.412 1.00 62.30 N ATOM 1585 CA THR A 642 -2.204 -8.179 9.240 1.00 53.21 C ATOM 1586 C THR A 642 -2.708 -6.738 9.350 1.00 74.55 C ATOM 1587 O THR A 642 -3.900 -6.480 9.189 1.00 71.04 O ATOM 1588 CB THR A 642 -1.527 -8.485 7.903 1.00 73.54 C ATOM 1589 OG1 THR A 642 -2.074 -7.521 7.007 1.00 2.15 O ATOM 1590 CG2 THR A 642 -1.968 -9.829 7.317 1.00 12.35 C ATOM 0 H THR A 642 -4.169 -8.845 8.946 1.00 62.30 H new ATOM 0 HA THR A 642 -1.461 -8.292 10.030 1.00 53.21 H new ATOM 0 HB THR A 642 -0.445 -8.484 8.036 1.00 73.54 H new ATOM 0 HG1 THR A 642 -2.886 -7.882 6.593 1.00 2.15 H new ATOM 0 HG21 THR A 642 -1.458 -9.997 6.368 1.00 12.35 H new ATOM 0 HG22 THR A 642 -1.715 -10.630 8.012 1.00 12.35 H new ATOM 0 HG23 THR A 642 -3.045 -9.818 7.153 1.00 12.35 H new ATOM 1598 N PRO A 643 -1.751 -5.814 9.630 1.00 61.30 N ATOM 1599 CA PRO A 643 -2.086 -4.407 9.763 1.00 4.41 C ATOM 1600 C PRO A 643 -2.345 -3.773 8.395 1.00 74.02 C ATOM 1601 O PRO A 643 -2.624 -2.578 8.303 1.00 64.43 O ATOM 1602 CB PRO A 643 -0.902 -3.788 10.489 1.00 12.12 C ATOM 1603 CG PRO A 643 0.248 -4.768 10.323 1.00 35.34 C ATOM 1604 CD PRO A 643 -0.330 -6.084 9.827 1.00 4.11 C ATOM 0 HA PRO A 643 -3.008 -4.245 10.321 1.00 4.41 H new ATOM 0 HB2 PRO A 643 -0.650 -2.815 10.067 1.00 12.12 H new ATOM 0 HB3 PRO A 643 -1.130 -3.629 11.543 1.00 12.12 H new ATOM 0 HG2 PRO A 643 0.980 -4.381 9.614 1.00 35.34 H new ATOM 0 HG3 PRO A 643 0.767 -4.912 11.271 1.00 35.34 H new ATOM 0 HD2 PRO A 643 0.145 -6.400 8.899 1.00 4.11 H new ATOM 0 HD3 PRO A 643 -0.176 -6.883 10.552 1.00 4.11 H new ATOM 1612 N GLN A 644 -2.246 -4.602 7.366 1.00 44.20 N ATOM 1613 CA GLN A 644 -2.466 -4.138 6.007 1.00 55.41 C ATOM 1614 C GLN A 644 -3.824 -4.623 5.494 1.00 23.31 C ATOM 1615 O GLN A 644 -4.289 -4.182 4.444 1.00 24.32 O ATOM 1616 CB GLN A 644 -1.336 -4.592 5.082 1.00 71.34 C ATOM 1617 CG GLN A 644 0.031 -4.331 5.717 1.00 41.33 C ATOM 1618 CD GLN A 644 1.133 -4.303 4.655 1.00 35.10 C ATOM 1619 OE1 GLN A 644 1.743 -5.472 4.478 1.00 61.03 O flip ATOM 1620 NE2 GLN A 644 1.410 -3.288 4.038 1.00 54.41 N flip ATOM 0 H GLN A 644 -2.016 -5.593 7.446 1.00 44.20 H new ATOM 0 HA GLN A 644 -2.470 -3.048 6.012 1.00 55.41 H new ATOM 0 HB2 GLN A 644 -1.443 -5.655 4.866 1.00 71.34 H new ATOM 0 HB3 GLN A 644 -1.406 -4.064 4.131 1.00 71.34 H new ATOM 0 HG2 GLN A 644 0.012 -3.381 6.252 1.00 41.33 H new ATOM 0 HG3 GLN A 644 0.249 -5.106 6.452 1.00 41.33 H new ATOM 0 HE21 GLN A 644 0.902 -2.424 4.224 1.00 54.41 H new ATOM 0 HE22 GLN A 644 2.150 -3.304 3.336 1.00 54.41 H new ATOM 1629 N GLY A 645 -4.421 -5.525 6.259 1.00 71.31 N ATOM 1630 CA GLY A 645 -5.716 -6.076 5.895 1.00 43.30 C ATOM 1631 C GLY A 645 -5.662 -7.603 5.825 1.00 70.22 C ATOM 1632 O GLY A 645 -4.731 -8.170 5.255 1.00 40.45 O ATOM 0 H GLY A 645 -4.032 -5.888 7.129 1.00 71.31 H new ATOM 0 HA2 GLY A 645 -6.464 -5.768 6.625 1.00 43.30 H new ATOM 0 HA3 GLY A 645 -6.028 -5.675 4.931 1.00 43.30 H new ATOM 1636 N ARG A 646 -6.672 -8.227 6.413 1.00 55.41 N ATOM 1637 CA ARG A 646 -6.752 -9.677 6.424 1.00 31.42 C ATOM 1638 C ARG A 646 -6.416 -10.238 5.041 1.00 72.30 C ATOM 1639 O ARG A 646 -6.682 -9.597 4.026 1.00 43.42 O ATOM 1640 CB ARG A 646 -8.149 -10.149 6.833 1.00 70.13 C ATOM 1641 CG ARG A 646 -8.258 -10.288 8.353 1.00 71.45 C ATOM 1642 CD ARG A 646 -9.522 -11.057 8.743 1.00 20.14 C ATOM 1643 NE ARG A 646 -10.616 -10.109 9.051 1.00 21.13 N ATOM 1644 CZ ARG A 646 -11.470 -9.615 8.131 1.00 54.45 C ATOM 1645 NH1 ARG A 646 -11.364 -9.975 6.834 1.00 52.12 N ATOM 1646 NH2 ARG A 646 -12.411 -8.773 8.517 1.00 33.31 N ATOM 0 H ARG A 646 -7.442 -7.754 6.886 1.00 55.41 H new ATOM 0 HA ARG A 646 -6.029 -10.043 7.153 1.00 31.42 H new ATOM 0 HB2 ARG A 646 -8.896 -9.440 6.475 1.00 70.13 H new ATOM 0 HB3 ARG A 646 -8.366 -11.107 6.360 1.00 70.13 H new ATOM 0 HG2 ARG A 646 -7.380 -10.805 8.739 1.00 71.45 H new ATOM 0 HG3 ARG A 646 -8.273 -9.300 8.812 1.00 71.45 H new ATOM 0 HD2 ARG A 646 -9.821 -11.718 7.930 1.00 20.14 H new ATOM 0 HD3 ARG A 646 -9.321 -11.688 9.609 1.00 20.14 H new ATOM 0 HE ARG A 646 -10.731 -9.811 10.019 1.00 21.13 H new ATOM 0 HH11 ARG A 646 -10.634 -10.625 6.543 1.00 52.12 H new ATOM 0 HH12 ARG A 646 -12.014 -9.597 6.145 1.00 52.12 H new ATOM 0 HH21 ARG A 646 -12.484 -8.505 9.498 1.00 33.31 H new ATOM 0 HH22 ARG A 646 -13.065 -8.390 7.834 1.00 33.31 H new ATOM 1659 N ILE A 647 -5.837 -11.430 5.045 1.00 10.14 N ATOM 1660 CA ILE A 647 -5.462 -12.084 3.804 1.00 70.55 C ATOM 1661 C ILE A 647 -5.803 -13.573 3.894 1.00 64.33 C ATOM 1662 O ILE A 647 -5.587 -14.202 4.929 1.00 1.50 O ATOM 1663 CB ILE A 647 -3.994 -11.808 3.475 1.00 65.35 C ATOM 1664 CG1 ILE A 647 -3.770 -10.327 3.164 1.00 14.33 C ATOM 1665 CG2 ILE A 647 -3.507 -12.711 2.339 1.00 22.33 C ATOM 1666 CD1 ILE A 647 -2.356 -9.892 3.554 1.00 13.24 C ATOM 0 H ILE A 647 -5.619 -11.960 5.889 1.00 10.14 H new ATOM 0 HA ILE A 647 -6.033 -11.676 2.970 1.00 70.55 H new ATOM 0 HB ILE A 647 -3.397 -12.046 4.355 1.00 65.35 H new ATOM 0 HG12 ILE A 647 -3.929 -10.147 2.101 1.00 14.33 H new ATOM 0 HG13 ILE A 647 -4.501 -9.724 3.702 1.00 14.33 H new ATOM 0 HG21 ILE A 647 -2.460 -12.494 2.125 1.00 22.33 H new ATOM 0 HG22 ILE A 647 -3.608 -13.755 2.635 1.00 22.33 H new ATOM 0 HG23 ILE A 647 -4.105 -12.528 1.446 1.00 22.33 H new ATOM 0 HD11 ILE A 647 -2.224 -8.835 3.322 1.00 13.24 H new ATOM 0 HD12 ILE A 647 -2.208 -10.051 4.622 1.00 13.24 H new ATOM 0 HD13 ILE A 647 -1.627 -10.480 2.996 1.00 13.24 H new ATOM 1678 N GLN A 648 -6.329 -14.095 2.795 1.00 11.24 N ATOM 1679 CA GLN A 648 -6.702 -15.498 2.737 1.00 24.15 C ATOM 1680 C GLN A 648 -6.225 -16.120 1.423 1.00 12.12 C ATOM 1681 O GLN A 648 -6.744 -15.797 0.356 1.00 61.13 O ATOM 1682 CB GLN A 648 -8.212 -15.672 2.911 1.00 63.13 C ATOM 1683 CG GLN A 648 -8.536 -17.009 3.579 1.00 34.45 C ATOM 1684 CD GLN A 648 -8.725 -18.113 2.536 1.00 13.43 C ATOM 1685 OE1 GLN A 648 -7.780 -18.713 2.051 1.00 11.54 O ATOM 1686 NE2 GLN A 648 -9.996 -18.346 2.219 1.00 2.53 N ATOM 0 H GLN A 648 -6.506 -13.571 1.938 1.00 11.24 H new ATOM 0 HA GLN A 648 -6.213 -16.018 3.561 1.00 24.15 H new ATOM 0 HB2 GLN A 648 -8.609 -14.855 3.513 1.00 63.13 H new ATOM 0 HB3 GLN A 648 -8.702 -15.619 1.939 1.00 63.13 H new ATOM 0 HG2 GLN A 648 -7.731 -17.283 4.261 1.00 34.45 H new ATOM 0 HG3 GLN A 648 -9.442 -16.910 4.177 1.00 34.45 H new ATOM 0 HE21 GLN A 648 -10.739 -17.807 2.663 1.00 2.53 H new ATOM 0 HE22 GLN A 648 -10.227 -19.064 1.532 1.00 2.53 H new ATOM 1695 N ALA A 649 -5.243 -17.001 1.544 1.00 1.21 N ATOM 1696 CA ALA A 649 -4.691 -17.671 0.379 1.00 43.31 C ATOM 1697 C ALA A 649 -5.166 -19.125 0.359 1.00 53.20 C ATOM 1698 O ALA A 649 -5.677 -19.628 1.358 1.00 24.54 O ATOM 1699 CB ALA A 649 -3.165 -17.556 0.399 1.00 32.43 C ATOM 0 H ALA A 649 -4.815 -17.266 2.431 1.00 1.21 H new ATOM 0 HA ALA A 649 -5.042 -17.197 -0.538 1.00 43.31 H new ATOM 0 HB1 ALA A 649 -2.751 -18.059 -0.475 1.00 32.43 H new ATOM 0 HB2 ALA A 649 -2.879 -16.504 0.382 1.00 32.43 H new ATOM 0 HB3 ALA A 649 -2.777 -18.023 1.304 1.00 32.43 H new ATOM 1705 N LYS A 650 -4.982 -19.758 -0.790 1.00 30.41 N ATOM 1706 CA LYS A 650 -5.386 -21.145 -0.953 1.00 41.41 C ATOM 1707 C LYS A 650 -4.176 -22.054 -0.728 1.00 11.34 C ATOM 1708 O LYS A 650 -4.317 -23.169 -0.228 1.00 15.31 O ATOM 1709 CB LYS A 650 -6.064 -21.349 -2.309 1.00 53.12 C ATOM 1710 CG LYS A 650 -7.186 -20.330 -2.520 1.00 33.11 C ATOM 1711 CD LYS A 650 -8.559 -20.978 -2.325 1.00 3.34 C ATOM 1712 CE LYS A 650 -9.666 -20.104 -2.916 1.00 55.30 C ATOM 1713 NZ LYS A 650 -10.921 -20.266 -2.148 1.00 22.25 N ATOM 0 H LYS A 650 -4.559 -19.337 -1.617 1.00 30.41 H new ATOM 0 HA LYS A 650 -6.132 -21.415 -0.205 1.00 41.41 H new ATOM 0 HB2 LYS A 650 -5.327 -21.254 -3.106 1.00 53.12 H new ATOM 0 HB3 LYS A 650 -6.469 -22.359 -2.369 1.00 53.12 H new ATOM 0 HG2 LYS A 650 -7.067 -19.503 -1.820 1.00 33.11 H new ATOM 0 HG3 LYS A 650 -7.117 -19.910 -3.524 1.00 33.11 H new ATOM 0 HD2 LYS A 650 -8.573 -21.959 -2.800 1.00 3.34 H new ATOM 0 HD3 LYS A 650 -8.743 -21.135 -1.262 1.00 3.34 H new ATOM 0 HE2 LYS A 650 -9.358 -19.059 -2.904 1.00 55.30 H new ATOM 0 HE3 LYS A 650 -9.833 -20.375 -3.959 1.00 55.30 H new ATOM 0 HZ1 LYS A 650 -11.662 -19.666 -2.563 1.00 22.25 H new ATOM 0 HZ2 LYS A 650 -11.223 -21.261 -2.181 1.00 22.25 H new ATOM 0 HZ3 LYS A 650 -10.762 -19.986 -1.159 1.00 22.25 H new ATOM 1726 N LYS A 651 -3.014 -21.543 -1.107 1.00 62.31 N ATOM 1727 CA LYS A 651 -1.780 -22.295 -0.953 1.00 30.34 C ATOM 1728 C LYS A 651 -0.784 -21.470 -0.135 1.00 70.22 C ATOM 1729 O LYS A 651 -0.739 -20.247 -0.256 1.00 15.13 O ATOM 1730 CB LYS A 651 -1.244 -22.731 -2.318 1.00 24.04 C ATOM 1731 CG LYS A 651 -1.871 -24.056 -2.756 1.00 13.21 C ATOM 1732 CD LYS A 651 -1.298 -25.226 -1.954 1.00 15.13 C ATOM 1733 CE LYS A 651 0.199 -25.391 -2.218 1.00 44.22 C ATOM 1734 NZ LYS A 651 0.653 -26.739 -1.810 1.00 35.23 N ATOM 0 H LYS A 651 -2.901 -20.617 -1.520 1.00 62.31 H new ATOM 0 HA LYS A 651 -1.962 -23.216 -0.399 1.00 30.34 H new ATOM 0 HB2 LYS A 651 -1.458 -21.961 -3.059 1.00 24.04 H new ATOM 0 HB3 LYS A 651 -0.160 -22.836 -2.270 1.00 24.04 H new ATOM 0 HG2 LYS A 651 -2.952 -24.013 -2.621 1.00 13.21 H new ATOM 0 HG3 LYS A 651 -1.688 -24.215 -3.819 1.00 13.21 H new ATOM 0 HD2 LYS A 651 -1.467 -25.060 -0.890 1.00 15.13 H new ATOM 0 HD3 LYS A 651 -1.821 -26.145 -2.220 1.00 15.13 H new ATOM 0 HE2 LYS A 651 0.407 -25.236 -3.277 1.00 44.22 H new ATOM 0 HE3 LYS A 651 0.757 -24.632 -1.670 1.00 44.22 H new ATOM 0 HZ1 LYS A 651 1.672 -26.833 -1.996 1.00 35.23 H new ATOM 0 HZ2 LYS A 651 0.473 -26.873 -0.795 1.00 35.23 H new ATOM 0 HZ3 LYS A 651 0.134 -27.459 -2.352 1.00 35.23 H new ATOM 1747 N TRP A 652 -0.009 -22.173 0.678 1.00 15.13 N ATOM 1748 CA TRP A 652 0.983 -21.521 1.515 1.00 2.34 C ATOM 1749 C TRP A 652 1.984 -20.815 0.599 1.00 44.22 C ATOM 1750 O TRP A 652 2.731 -19.944 1.043 1.00 53.42 O ATOM 1751 CB TRP A 652 1.644 -22.523 2.464 1.00 43.13 C ATOM 1752 CG TRP A 652 0.665 -23.230 3.403 1.00 62.44 C ATOM 1753 CD1 TRP A 652 -0.252 -24.157 3.093 1.00 62.04 C ATOM 1754 CD2 TRP A 652 0.542 -23.030 4.827 1.00 42.35 C ATOM 1755 NE1 TRP A 652 -0.954 -24.567 4.208 1.00 52.43 N ATOM 1756 CE2 TRP A 652 -0.456 -23.859 5.296 1.00 62.33 C ATOM 1757 CE3 TRP A 652 1.251 -22.176 5.690 1.00 51.44 C ATOM 1758 CZ2 TRP A 652 -0.836 -23.916 6.642 1.00 63.21 C ATOM 1759 CZ3 TRP A 652 0.859 -22.244 7.032 1.00 62.20 C ATOM 1760 CH2 TRP A 652 -0.144 -23.074 7.520 1.00 5.21 C ATOM 0 H TRP A 652 -0.048 -23.188 0.775 1.00 15.13 H new ATOM 0 HA TRP A 652 0.515 -20.776 2.159 1.00 2.34 H new ATOM 0 HB2 TRP A 652 2.171 -23.273 1.874 1.00 43.13 H new ATOM 0 HB3 TRP A 652 2.393 -22.003 3.061 1.00 43.13 H new ATOM 0 HD1 TRP A 652 -0.420 -24.536 2.096 1.00 62.04 H new ATOM 0 HE1 TRP A 652 -1.701 -25.262 4.230 1.00 52.43 H new ATOM 0 HE3 TRP A 652 2.036 -21.519 5.345 1.00 51.44 H new ATOM 0 HZ2 TRP A 652 -1.621 -24.574 6.984 1.00 63.21 H new ATOM 0 HZ3 TRP A 652 1.372 -21.607 7.738 1.00 62.20 H new ATOM 0 HH2 TRP A 652 -0.388 -23.069 8.572 1.00 5.21 H new ATOM 1771 N SER A 653 1.968 -21.217 -0.663 1.00 62.14 N ATOM 1772 CA SER A 653 2.865 -20.634 -1.646 1.00 44.04 C ATOM 1773 C SER A 653 2.558 -19.145 -1.817 1.00 52.04 C ATOM 1774 O SER A 653 3.341 -18.410 -2.417 1.00 62.40 O ATOM 1775 CB SER A 653 2.755 -21.357 -2.990 1.00 55.44 C ATOM 1776 OG SER A 653 3.791 -20.973 -3.890 1.00 23.22 O ATOM 0 H SER A 653 1.348 -21.940 -1.028 1.00 62.14 H new ATOM 0 HA SER A 653 3.887 -20.748 -1.286 1.00 44.04 H new ATOM 0 HB2 SER A 653 2.798 -22.434 -2.827 1.00 55.44 H new ATOM 0 HB3 SER A 653 1.786 -21.141 -3.440 1.00 55.44 H new ATOM 0 HG SER A 653 4.115 -20.079 -3.653 1.00 23.22 H new ATOM 1782 N ARG A 654 1.415 -18.744 -1.280 1.00 23.05 N ATOM 1783 CA ARG A 654 0.994 -17.356 -1.365 1.00 3.10 C ATOM 1784 C ARG A 654 1.188 -16.659 -0.017 1.00 40.50 C ATOM 1785 O ARG A 654 1.370 -15.443 0.037 1.00 75.13 O ATOM 1786 CB ARG A 654 -0.475 -17.250 -1.780 1.00 24.44 C ATOM 1787 CG ARG A 654 -0.831 -18.320 -2.814 1.00 24.33 C ATOM 1788 CD ARG A 654 0.145 -18.290 -3.992 1.00 30.20 C ATOM 1789 NE ARG A 654 -0.438 -19.004 -5.150 1.00 23.31 N ATOM 1790 CZ ARG A 654 -0.021 -18.846 -6.424 1.00 71.43 C ATOM 1791 NH1 ARG A 654 0.986 -17.996 -6.715 1.00 65.34 N ATOM 1792 NH2 ARG A 654 -0.614 -19.536 -7.381 1.00 42.45 N ATOM 0 H ARG A 654 0.767 -19.356 -0.784 1.00 23.05 H new ATOM 0 HA ARG A 654 1.609 -16.869 -2.122 1.00 3.10 H new ATOM 0 HB2 ARG A 654 -1.113 -17.360 -0.903 1.00 24.44 H new ATOM 0 HB3 ARG A 654 -0.669 -16.260 -2.194 1.00 24.44 H new ATOM 0 HG2 ARG A 654 -0.811 -19.304 -2.346 1.00 24.33 H new ATOM 0 HG3 ARG A 654 -1.847 -18.159 -3.175 1.00 24.33 H new ATOM 0 HD2 ARG A 654 0.367 -17.258 -4.265 1.00 30.20 H new ATOM 0 HD3 ARG A 654 1.089 -18.754 -3.705 1.00 30.20 H new ATOM 0 HE ARG A 654 -1.202 -19.656 -4.974 1.00 23.31 H new ATOM 0 HH11 ARG A 654 1.438 -17.467 -5.969 1.00 65.34 H new ATOM 0 HH12 ARG A 654 1.295 -17.883 -7.680 1.00 65.34 H new ATOM 0 HH21 ARG A 654 -1.374 -20.176 -7.152 1.00 42.45 H new ATOM 0 HH22 ARG A 654 -0.312 -19.429 -8.349 1.00 42.45 H new ATOM 1805 N VAL A 655 1.143 -17.458 1.039 1.00 52.14 N ATOM 1806 CA VAL A 655 1.311 -16.933 2.383 1.00 41.41 C ATOM 1807 C VAL A 655 2.441 -15.901 2.385 1.00 24.41 C ATOM 1808 O VAL A 655 3.535 -16.173 1.892 1.00 51.33 O ATOM 1809 CB VAL A 655 1.547 -18.080 3.367 1.00 14.14 C ATOM 1810 CG1 VAL A 655 2.422 -17.627 4.537 1.00 23.25 C ATOM 1811 CG2 VAL A 655 0.220 -18.656 3.866 1.00 53.40 C ATOM 0 H VAL A 655 0.992 -18.466 0.991 1.00 52.14 H new ATOM 0 HA VAL A 655 0.405 -16.423 2.710 1.00 41.41 H new ATOM 0 HB VAL A 655 2.078 -18.871 2.838 1.00 14.14 H new ATOM 0 HG11 VAL A 655 2.574 -18.461 5.222 1.00 23.25 H new ATOM 0 HG12 VAL A 655 3.386 -17.286 4.160 1.00 23.25 H new ATOM 0 HG13 VAL A 655 1.930 -16.810 5.064 1.00 23.25 H new ATOM 0 HG21 VAL A 655 0.416 -19.470 4.564 1.00 53.40 H new ATOM 0 HG22 VAL A 655 -0.349 -17.875 4.370 1.00 53.40 H new ATOM 0 HG23 VAL A 655 -0.354 -19.034 3.020 1.00 53.40 H new ATOM 1821 N PRO A 656 2.131 -14.709 2.961 1.00 74.12 N ATOM 1822 CA PRO A 656 3.107 -13.636 3.034 1.00 64.03 C ATOM 1823 C PRO A 656 4.156 -13.922 4.110 1.00 4.42 C ATOM 1824 O PRO A 656 5.356 -13.881 3.840 1.00 53.23 O ATOM 1825 CB PRO A 656 2.295 -12.383 3.314 1.00 54.40 C ATOM 1826 CG PRO A 656 0.955 -12.865 3.847 1.00 4.23 C ATOM 1827 CD PRO A 656 0.846 -14.352 3.555 1.00 33.43 C ATOM 0 HA PRO A 656 3.680 -13.525 2.113 1.00 64.03 H new ATOM 0 HB2 PRO A 656 2.798 -11.746 4.041 1.00 54.40 H new ATOM 0 HB3 PRO A 656 2.165 -11.791 2.408 1.00 54.40 H new ATOM 0 HG2 PRO A 656 0.881 -12.680 4.919 1.00 4.23 H new ATOM 0 HG3 PRO A 656 0.138 -12.322 3.373 1.00 4.23 H new ATOM 0 HD2 PRO A 656 0.659 -14.921 4.465 1.00 33.43 H new ATOM 0 HD3 PRO A 656 0.022 -14.562 2.873 1.00 33.43 H new ATOM 1835 N PHE A 657 3.667 -14.205 5.308 1.00 14.43 N ATOM 1836 CA PHE A 657 4.547 -14.497 6.427 1.00 72.13 C ATOM 1837 C PHE A 657 5.392 -15.742 6.148 1.00 11.15 C ATOM 1838 O PHE A 657 4.953 -16.650 5.444 1.00 11.14 O ATOM 1839 CB PHE A 657 3.654 -14.762 7.641 1.00 64.12 C ATOM 1840 CG PHE A 657 2.981 -16.136 7.630 1.00 53.21 C ATOM 1841 CD1 PHE A 657 3.652 -17.226 8.089 1.00 12.13 C ATOM 1842 CD2 PHE A 657 1.711 -16.267 7.161 1.00 51.22 C ATOM 1843 CE1 PHE A 657 3.027 -18.501 8.079 1.00 14.21 C ATOM 1844 CE2 PHE A 657 1.086 -17.542 7.151 1.00 52.24 C ATOM 1845 CZ PHE A 657 1.757 -18.632 7.610 1.00 51.10 C ATOM 0 H PHE A 657 2.672 -14.238 5.529 1.00 14.43 H new ATOM 0 HA PHE A 657 5.225 -13.661 6.596 1.00 72.13 H new ATOM 0 HB2 PHE A 657 4.253 -14.669 8.547 1.00 64.12 H new ATOM 0 HB3 PHE A 657 2.884 -13.992 7.688 1.00 64.12 H new ATOM 0 HD1 PHE A 657 4.660 -17.122 8.461 1.00 12.13 H new ATOM 0 HD2 PHE A 657 1.178 -15.401 6.796 1.00 51.22 H new ATOM 0 HE1 PHE A 657 3.560 -19.367 8.444 1.00 14.21 H new ATOM 0 HE2 PHE A 657 0.078 -17.646 6.779 1.00 52.24 H new ATOM 0 HZ PHE A 657 1.282 -19.602 7.602 1.00 51.10 H new ATOM 1855 N SER A 658 6.589 -15.744 6.716 1.00 63.03 N ATOM 1856 CA SER A 658 7.500 -16.862 6.538 1.00 72.35 C ATOM 1857 C SER A 658 7.187 -17.959 7.557 1.00 22.23 C ATOM 1858 O SER A 658 6.781 -17.669 8.682 1.00 71.25 O ATOM 1859 CB SER A 658 8.956 -16.413 6.671 1.00 62.33 C ATOM 1860 OG SER A 658 9.144 -15.072 6.227 1.00 21.11 O ATOM 0 H SER A 658 6.949 -14.989 7.300 1.00 63.03 H new ATOM 0 HA SER A 658 7.362 -17.259 5.532 1.00 72.35 H new ATOM 0 HB2 SER A 658 9.268 -16.497 7.712 1.00 62.33 H new ATOM 0 HB3 SER A 658 9.595 -17.080 6.092 1.00 62.33 H new ATOM 0 HG SER A 658 10.086 -14.822 6.330 1.00 21.11 H new ATOM 1866 N VAL A 659 7.389 -19.196 7.128 1.00 35.52 N ATOM 1867 CA VAL A 659 7.133 -20.338 7.990 1.00 62.31 C ATOM 1868 C VAL A 659 8.411 -21.170 8.119 1.00 0.24 C ATOM 1869 O VAL A 659 8.705 -22.001 7.262 1.00 52.25 O ATOM 1870 CB VAL A 659 5.948 -21.144 7.454 1.00 53.40 C ATOM 1871 CG1 VAL A 659 5.246 -21.903 8.582 1.00 40.32 C ATOM 1872 CG2 VAL A 659 4.965 -20.240 6.706 1.00 33.53 C ATOM 0 H VAL A 659 7.727 -19.433 6.195 1.00 35.52 H new ATOM 0 HA VAL A 659 6.857 -20.006 8.991 1.00 62.31 H new ATOM 0 HB VAL A 659 6.334 -21.878 6.747 1.00 53.40 H new ATOM 0 HG11 VAL A 659 4.408 -22.468 8.174 1.00 40.32 H new ATOM 0 HG12 VAL A 659 5.951 -22.589 9.053 1.00 40.32 H new ATOM 0 HG13 VAL A 659 4.879 -21.194 9.324 1.00 40.32 H new ATOM 0 HG21 VAL A 659 4.132 -20.837 6.335 1.00 33.53 H new ATOM 0 HG22 VAL A 659 4.589 -19.473 7.383 1.00 33.53 H new ATOM 0 HG23 VAL A 659 5.473 -19.765 5.867 1.00 33.53 H new ATOM 1882 N PRO A 660 9.156 -20.910 9.227 1.00 31.13 N ATOM 1883 CA PRO A 660 10.395 -21.625 9.480 1.00 3.12 C ATOM 1884 C PRO A 660 10.118 -23.051 9.959 1.00 71.43 C ATOM 1885 O PRO A 660 9.121 -23.300 10.635 1.00 23.24 O ATOM 1886 CB PRO A 660 11.130 -20.785 10.512 1.00 45.33 C ATOM 1887 CG PRO A 660 10.080 -19.884 11.141 1.00 42.34 C ATOM 1888 CD PRO A 660 8.839 -19.933 10.265 1.00 50.13 C ATOM 0 HA PRO A 660 11.000 -21.749 8.582 1.00 3.12 H new ATOM 0 HB2 PRO A 660 11.604 -21.416 11.264 1.00 45.33 H new ATOM 0 HB3 PRO A 660 11.920 -20.197 10.046 1.00 45.33 H new ATOM 0 HG2 PRO A 660 9.847 -20.218 12.152 1.00 42.34 H new ATOM 0 HG3 PRO A 660 10.451 -18.862 11.220 1.00 42.34 H new ATOM 0 HD2 PRO A 660 7.962 -20.234 10.838 1.00 50.13 H new ATOM 0 HD3 PRO A 660 8.619 -18.956 9.835 1.00 50.13 H new ATOM 1896 N ASP A 661 11.017 -23.951 9.588 1.00 23.05 N ATOM 1897 CA ASP A 661 10.882 -25.346 9.972 1.00 61.15 C ATOM 1898 C ASP A 661 10.854 -25.451 11.498 1.00 72.03 C ATOM 1899 O ASP A 661 11.252 -24.519 12.195 1.00 74.10 O ATOM 1900 CB ASP A 661 12.064 -26.174 9.463 1.00 74.14 C ATOM 1901 CG ASP A 661 13.442 -25.566 9.729 1.00 10.13 C ATOM 1902 OD1 ASP A 661 13.637 -24.830 10.708 1.00 53.20 O ATOM 1903 OD2 ASP A 661 14.352 -25.880 8.870 1.00 13.42 O ATOM 0 H ASP A 661 11.842 -23.741 9.026 1.00 23.05 H new ATOM 0 HA ASP A 661 9.959 -25.728 9.535 1.00 61.15 H new ATOM 0 HB2 ASP A 661 12.023 -27.160 9.926 1.00 74.14 H new ATOM 0 HB3 ASP A 661 11.950 -26.321 8.389 1.00 74.14 H new ATOM 1909 N PHE A 662 10.380 -26.594 11.972 1.00 54.23 N ATOM 1910 CA PHE A 662 10.294 -26.833 13.402 1.00 3.44 C ATOM 1911 C PHE A 662 11.646 -27.275 13.966 1.00 2.42 C ATOM 1912 O PHE A 662 12.108 -28.380 13.686 1.00 3.41 O ATOM 1913 CB PHE A 662 9.277 -27.957 13.608 1.00 1.23 C ATOM 1914 CG PHE A 662 9.160 -28.432 15.058 1.00 52.00 C ATOM 1915 CD1 PHE A 662 10.048 -29.336 15.551 1.00 33.31 C ATOM 1916 CD2 PHE A 662 8.168 -27.950 15.853 1.00 15.24 C ATOM 1917 CE1 PHE A 662 9.939 -29.777 16.897 1.00 71.35 C ATOM 1918 CE2 PHE A 662 8.059 -28.391 17.199 1.00 53.23 C ATOM 1919 CZ PHE A 662 8.947 -29.295 17.692 1.00 74.21 C ATOM 0 H PHE A 662 10.051 -27.365 11.390 1.00 54.23 H new ATOM 0 HA PHE A 662 9.998 -25.918 13.915 1.00 3.44 H new ATOM 0 HB2 PHE A 662 8.299 -27.615 13.268 1.00 1.23 H new ATOM 0 HB3 PHE A 662 9.554 -28.804 12.980 1.00 1.23 H new ATOM 0 HD1 PHE A 662 10.836 -29.719 14.919 1.00 33.31 H new ATOM 0 HD2 PHE A 662 7.463 -27.232 15.461 1.00 15.24 H new ATOM 0 HE1 PHE A 662 10.644 -30.495 17.289 1.00 71.35 H new ATOM 0 HE2 PHE A 662 7.271 -28.008 17.831 1.00 53.23 H new ATOM 0 HZ PHE A 662 8.864 -29.630 18.715 1.00 74.21 H new